Validation Log 2026-02-01 08:55:24.958647 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN006749/mwtab/txt Study ID: ST004078 Analysis ID: AN006749 File format: txt Status: Contains Validation Issues Number of Issues: 34 Number of Warnings: 33 Number of Value Errors: 31 Number of Consistency Errors: 0 Number of Format Errors: 0 Issue Log: Error: The value, "25", for the subsection, "COLUMN_TEMPERATURE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['°C', 'C']. Ignore this when more complicated descriptions are required. Warning: The "m/z" column at position 4 in the METABOLITES table, matches a standard column name, "moverz_quant". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "Mass Error (ppm)" column at position 2 in the METABOLITES table, matches a standard column name, "mass". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "Formula" column at position 3 in the METABOLITES table, matches a standard column name, "formula", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 0 C6 H13 N O2 1 C5 H9 N O4 4 C16 H17 N O 5 C16 H31 N O 9 C9 H17 N O5 10 C20 H35 N O2 19 C5 H9 N O 23 C4 H9 N O3 25 C22 H39 N O2 26 C18 H39 N O2 35 C20 H37 N O2 37 C6 H11 N O4 38 C8 H9 N O4 39 C21 H35 N O 48 C20 H33 N O 50 C9 H17 N O7 51 C11 H15 N O 56 C5 H9 N O2 60 C22 H37 N O2 61 C10 H21 N O 62 C9 H19 N O 63 C13 H12 Cl F N2 O S 67 C18 H37 N O2 68 C6 H11 N O2 74 C24 H39 N O 75 C11 H19 N O9 80 C10 H9 N O2 85 C23 H39 N O2 88 C9 H11 N O3 91 C18 H39 N O3 95 C22 H23 Cl N2 O8 100 C9 H11 N O4 102 C20 H33 N O2 107 C21 H44 N O7 P 108 C13 H17 N O 110 C22 H43 N O 122 C17 H27 N O3 123 C21 H35 N O2 126 C18 H15 Cl F2 N2 O 127 C20 H41 N O2 131 C5 H11 N O2 132 C14 H17 N O 135 C26 H29 F N4 O2 141 C10 H11 N O2 143 C23 H16 Cl N3 O3 S2 144 C27 H39 N O7 145 C14 H23 N O 152 C15 H17 N O5 153 C18 H37 N O 159 C27 H39 N O2 163 C16 H33 N O 164 C18 H33 N O4 168 C18 H25 N O6 170 C15 H12 Cl N5 O 180 C6 H11 N O3 183 C15 H15 N O 185 C9 H21 N O3 193 C29 H41 N O4 195 C12 H19 N O5 196 C20 H39 N O 197 C7 H15 N O 203 C7 H11 N O2 211 C19 H15 Cl N2 O S 213 C14 H17 N3 O S 214 C21 H28 Br N O 216 C15 H16 F5 N O2 S2 217 C6 H13 N O2 221 C23 H35 N O3 223 C10 H13 N O3 225 C24 H21 Cl F N O 227 C16 H19 N O 229 C22 H45 N O 232 C23 H45 N O4 234 C5 H11 N O4 S 238 C16 H21 N O S 246 C19 H19 N O S 249 C23 H30 Cl N3 O 250 C11 H9 N O2 252 C22 H47 N O5 256 C11 H11 F2 N O2 259 C14 H21 N O4 264 C28 H41 N O3 268 C3 H7 N O2 274 C15 H23 N O 283 C5 H7 N O3 285 C25 H22 Cl N O3 287 C19 H33 N O2 288 C20 H20 Cl N5 O2 S2 289 C8 H9 N O 290 C12 H17 N O3 291 C15 H18 F N3 292 C16 H17 Cl N4 O2 S 293 C15 H16 N2 O S 295 C14 H17 N O2 S 296 C23 H30 F N3 O3 299 C22 H27 F N2 O 302 C10 H11 N O3 303 C18 H16 Cl N3 O2 S 304 C10 H19 N O4 307 C9 H7 N O2 308 C12 H17 N O4 314 C12 H27 N O 317 C16 H23 N O6 318 C15 H14 Cl N O3 322 C23 H20 F N3 O2 323 C18 H20 I N O4 324 C6 H11 N O 325 C18 H37 N O2 326 C9 H10 Cl N O2 328 C18 H20 N O3 P S 331 C9 H11 Cl O3 332 C15 H15 N O2 S 334 C26 H52 N O7 P 336 C46 H82 N O7 P 338 C8 Br F17 339 C24 H50 N O7 P 340 C18 H15 N O2 341 C2 H6 Cl O3 P 343 C21 H31 N O8 346 C29 H33 F N2 O4 351 C21 H27 N O15 355 C17 H17 Cl2 N O 356 C11 H19 N O4 358 C19 H42 N O5 P 359 C26 H54 N O7 P 363 C9 H11 N O2 365 C11 H16 O S 366 C48 H91 N O11 S 368 C12 H23 N O10 S3 371 C27 H35 N O4 372 C34 H55 N O3 373 C18 H35 N O2 374 C22 H24 F N5 O4 375 C23 H48 N O7 P 379 C23 H46 N O7 P 381 C24 H48 N O7 P 385 C25 H44 N O7 P 390 C10 H21 N O7 392 C9 H11 N O3 395 C25 H50 N O4 396 C7 H5 N O3 397 C28 H50 N O7 P 399 C9 H5 Cl2 N O 400 C22 H21 N O3 401 C14 H19 N S 405 C17 H29 N O3 S 411 C24 H31 F O4 412 C20 H41 N O2 413 C38 H74 N O10 P 415 C25 H48 N O4 416 C14 H14 Cl N3 O2 S 418 C23 H22 Cl N3 O2 419 C12 H10 F N3 O4 423 C5 H11 N O2 S 427 C32 H45 N O9 431 C12 H24 N O4 437 C19 H17 Cl N2 O4 440 C25 H33 F O4 443 C18 H12 Cl F3 N4 O4 444 C12 H10 Cl N3 O 450 C16 H15 N3 O S 451 C27 H29 N O10 452 C24 H33 Cl2 N O5 453 C31 H45 N O8 454 C35 H55 N O3 460 C11 H22 N O4 462 C28 H52 N O7 P 467 C20 H27 N O12 469 C25 H41 N O2 470 C17 H36 N O7 P 471 C28 H19 F N4 O8 474 C22 H21 Cl N2 O6 475 C26 H45 N O7 S 476 C27 H31 N O11 480 C18 H23 N O3 S 482 C12 H23 N O 484 C18 H22 N2 O S 485 C16 H21 N O4 S 487 C12 H22 N O12 P 489 C28 H56 N O7 P 490 C29 H37 N O4 493 C5 H13 N O 494 C12 H9 N O6 495 C18 H40 N O6 P 496 C26 H45 N O8 S 497 C37 H61 N O11 501 C18 H24 N O2 S 505 C20 H27 Cl O3 508 C33 H45 N O10 510 C20 H23 N O2 512 C12 H18 Cl N O 516 C32 H53 N O11 S 519 C17 H15 N O6 520 C27 H44 N O7 P 522 C14 H23 N O10 523 C23 H25 N O 525 C18 H35 N O 526 C8 H11 N O3 527 C33 H58 N O9 P 529 C22 H45 N O 535 C10 H19 N O2 S2 537 C9 H19 N O4 540 C22 H29 N O2 545 C19 H27 N O7 S 546 C27 H46 N O7 P 549 C27 H48 N O7 P 551 C21 H22 Cl N3 O2 552 C26 H52 N O7 P 562 C17 H20 N2 O S 563 C27 H52 N O4 571 C14 H24 N O4 P S3 574 C39 H65 N O12 579 C25 H52 N O7 P 582 C21 H20 N O4 585 C16 H23 Br N2 O3 588 C14 H17 N O8 589 C23 H37 N O6 S 591 C12 H13 N O2 S 594 C14 H16 Cl N5 O5 S 597 C41 H74 N O7 P 599 C29 H37 N O5 603 C24 H37 N O2 604 C14 H25 N S 606 C26 H37 N O3 607 C21 H35 N O 608 C22 H27 Cl O4 609 C12 H17 N O 610 C20 H18 N O5 614 C20 H18 N O4 619 C22 H20 F N3 O S 621 C27 H44 N O7 P 622 C37 H65 N O14 624 C23 H44 N O7 P 626 C24 H29 Cl2 F O5 629 C37 H53 N O8 630 C39 H70 N O7 P 636 C22 H23 Cl F N5 O2 639 C10 H19 Cl N O5 P 641 C15 H17 Cl N2 O2 646 C28 H28 Cl F2 N3 O 648 C12 H7 Cl N2 O3 663 C11 H23 N2 O7 P S 665 C13 H21 N O15 S 667 C19 H21 N O8 668 C12 H12 Cl N7 O 669 C8 H17 N O2 673 C21 H18 N O4 674 C22 H24 Cl F N4 O3 681 C22 H29 N O3 682 C12 H12 Cl N5 O4 S 687 C22 H29 Cl O5 695 C20 H19 Cl O9 696 C21 H15 Cl F4 N4 O3 699 C18 H25 N O5 707 C19 H13 N O6 710 C14 H16 Cl N3 O4 S2 713 C13 H13 N O6 714 C20 H24 N2 O S 719 C16 H13 Cl N2 O3 720 C19 H17 N O S 722 C9 H17 N O4 725 C5 H9 N O 727 C20 H39 N O2 735 C19 H39 N O 736 C7 H15 N O3 Warning: The "MAIN_CLASS(lipidmaps)" column at position 10 in the METABOLITES table, matches a standard column name, "class". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "SUB_CLASS" column at position 11 in the METABOLITES table, matches a standard column name, "class". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "super_class(HMDB)" column at position 15 in the METABOLITES table, matches a standard column name, "class". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "sub_class(HMDB)" column at position 17 in the METABOLITES table, matches a standard column name, "class". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "KEGG_pathway_annotation" column at position 7 in the METABOLITES table, matches a standard column name, "pathway". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "KEGG_annotation" column at position 6 in the METABOLITES table, matches a standard column name, "kegg_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "KEGG_pathway_annotation" column at position 7 in the METABOLITES table, matches a standard column name, "kegg_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "KEGG_pathway_annotation" column at position 7 in the METABOLITES table, matches a standard column name, "kegg_id", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 1 Arginine biosynthesis(ko00220);;Alanine, aspar... 9 beta-Alanine metabolism(ko00410);;Pantothenate... 13 Pyrimidine metabolism(ko00240);;Metabolic path... 23 Glycine, serine and threonine metabolism(ko002... 32 Cysteine and methionine metabolism(ko00270);;M... 38 Vitamin B6 metabolism(ko00750);;Metabolic path... 42 One carbon pool by folate(ko00670);;Folate bio... 43 Steroid hormone biosynthesis(ko00140) 47 Arginine and proline metabolism(ko00330);;D-Am... 58 Steroid hormone biosynthesis(ko00140);;Metabol... 68 Lysine degradation(ko00310);;Metabolic pathway... 75 Amino sugar and nucleotide sugar metabolism(ko... 77 Purine metabolism(ko00230);;Metabolic pathways... 80 Tryptophan metabolism(ko00380);;Metabolic path... 88 Ubiquinone and other terpenoid-quinone biosynt... 95 Metabolic pathways(ko01100) 100 Tyrosine metabolism(ko00350);;Metabolic pathwa... 131 Glycine, serine and threonine metabolism(ko002... 148 Steroid hormone biosynthesis(ko00140);;Metabol... 212 Purine metabolism(ko00230);;Metabolic pathways... 261 Purine metabolism(ko00230);;Metabolic pathways... 268 Pyrimidine metabolism(ko00240);;beta-Alanine m... 283 Glutathione metabolism(ko00480);;Metabolic pat... 311 Arachidonic acid metabolism(ko00590);;Metaboli... 327 Glycine, serine and threonine metabolism(ko002... 333 Phosphonate and phosphinate metabolism(ko00440... 342 Purine metabolism(ko00230);;Metabolic pathways... 345 Lysine biosynthesis(ko00300);;Lysine degradati... 360 Metabolic pathways(ko01100) 361 Metabolic pathways(ko01100) 362 Metabolic pathways(ko01100) 363 Phenylalanine metabolism(ko00360);;Phenylalani... 386 Ubiquinone and other terpenoid-quinone biosynt... 389 Ubiquinone and other terpenoid-quinone biosynt... 391 2-Oxocarboxylic acid metabolism(ko01210) 424 Bile secretion(ko04976) 435 Glycine, serine and threonine metabolism(ko002... 459 Metabolic pathways(ko01100) 488 Metabolic pathways(ko01100) 493 Glycine, serine and threonine metabolism(ko002... 497 Metabolic pathways(ko01100) 514 Pyrimidine metabolism(ko00240);;Metabolic path... 526 Vitamin B6 metabolism(ko00750);;Metabolic path... 537 Pantothenate and CoA biosynthesis(ko00770) 559 Metabolism of xenobiotics by cytochrome P450(k... 570 Caffeine metabolism(ko00232);;Metabolic pathwa... 590 Steroid hormone biosynthesis(ko00140);;Metabol... 605 Metabolic pathways(ko01100) 614 AMPK signaling pathway(ko04152) 647 Histidine metabolism(ko00340);;Metabolic pathw... 663 Pantothenate and CoA biosynthesis(ko00770);;Me... 689 Arginine and proline metabolism(ko00330);;Meta... 702 Polyketide sugar unit biosynthesis(ko00523);;M... 707 Metabolic pathways(ko01100) 711 Purine metabolism(ko00230);;Caffeine metabolis... 723 Pyrimidine metabolism(ko00240);;beta-Alanine m... 731 Nicotinate and nicotinamide metabolism(ko00760... 732 Purine metabolism(ko00230);;Metabolic pathways... 733 Arginine and proline metabolism(ko00330);;Meta... 734 Purine metabolism(ko00230);;Metabolic pathways... 738 Purine metabolism(ko00230);;Metabolic pathways... 739 Steroid hormone biosynthesis(ko00140);;Metabol... Warning: The "kingdom(HMDB)" column at position 14 in the METABOLITES table, matches a standard column name, "hmdb_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "HMDB_taxonomy" column at position 16 in the METABOLITES table, matches a standard column name, "hmdb_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "kingdom(HMDB)" column at position 14 in the METABOLITES table, matches a standard column name, "hmdb_id", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 0 Organic compounds 1 Organic compounds 7 Organic compounds 9 Organic compounds 10 Organic compounds 13 Organic compounds 16 Organic compounds 17 Organic compounds 21 Organic compounds 22 Organic compounds 23 Organic compounds 24 Organic compounds 26 Organic compounds 27 Organic compounds 29 Organic compounds 30 Organic compounds 32 Organic compounds 35 Organic compounds 37 Organic compounds 38 Organic compounds 41 Organic compounds 42 Organic compounds 43 Organic compounds 44 Organic compounds 47 Organic compounds 50 Organic compounds 52 Organic compounds 53 Organic compounds 55 Organic compounds 56 Organic compounds 58 Organic compounds 62 Organic compounds 65 Organic compounds 66 Organic compounds 67 Organic compounds 68 Organic compounds 70 Organic compounds 72 Organic compounds 75 Organic compounds 77 Organic compounds 80 Organic compounds 82 Organic compounds 83 Organic compounds 84 Organic compounds 85 Organic compounds 88 Organic compounds 92 Organic compounds 93 Organic compounds 94 Organic compounds 95 Organic compounds 100 Organic compounds 103 Organic compounds 104 Organic compounds 106 Organic compounds 108 Organic compounds 110 Organic compounds 111 Organic compounds 113 Organic compounds 115 Organic compounds 120 Organic compounds 121 Organic compounds 127 Organic compounds 131 Organic compounds 136 Organic compounds 138 Organic compounds 142 Organic compounds 147 Organic compounds 148 Organic compounds 153 Organic compounds 154 Organic compounds 159 Organic compounds 163 Organic compounds 165 Organic compounds 168 Organic compounds 179 Organic compounds 180 Organic compounds 186 Organic compounds 187 Organic compounds 188 Organic compounds 190 Organic compounds 191 Organic compounds 193 Organic compounds 194 Organic compounds 203 Organic compounds 205 Organic compounds 212 Organic compounds 217 Organic compounds 218 Organic compounds 223 Organic compounds 224 Organic compounds 228 Organic compounds 229 Organic compounds 232 Organic compounds 234 Organic compounds 235 Organic compounds 246 Organic compounds 247 Organic compounds 250 Organic compounds 260 Organic compounds 261 Organic compounds 263 Organic compounds 268 Organic compounds 277 Organic compounds 280 Organic compounds 283 Organic compounds 285 Organic compounds 287 Organic compounds 289 Organic compounds 294 Organic compounds 299 Organic compounds 302 Organic compounds 304 Organic compounds 306 Organic compounds 307 Organic compounds 309 Organic compounds 311 Organic compounds 313 Organic compounds 315 Organic compounds 316 Organic compounds 317 Organic compounds 318 Organic compounds 320 Organic compounds 321 Organic compounds 324 Organic compounds 325 Organic compounds 327 Organic compounds 328 Organic compounds 332 Organic compounds 333 Organic compounds 335 Organic compounds 338 Organic compounds 341 Organic compounds 342 Organic compounds 345 Organic compounds 346 Organic compounds 347 Organic compounds 348 Organic compounds 350 Organic compounds 353 Organic compounds 354 Organic compounds 356 Organic compounds 358 Organic compounds 360 Organic compounds 363 Organic compounds 364 Organic compounds 365 Organic compounds 367 Organic compounds 368 Organic compounds 374 Organic compounds 377 Organic compounds 378 Organic compounds 382 Organic compounds 386 Organic compounds 389 Organic compounds 390 Organic compounds 391 Organic compounds 392 Organic compounds 393 Organic compounds 396 Organic compounds 399 Organic compounds 401 Organic compounds 409 Organic compounds 412 Organic compounds 416 Organic compounds 417 Organic compounds 421 Organic compounds 422 Organic compounds 423 Organic compounds 424 Organic compounds 425 Organic compounds 426 Organic compounds 435 Organic compounds 436 Organic compounds 437 Organic compounds 438 Organic compounds 443 Organic compounds 444 Organic compounds 446 Organic compounds 447 Organic compounds 449 Organic compounds 451 Organic compounds 452 Organic compounds 457 Organic compounds 458 Organic compounds 461 Organic compounds 466 Organic compounds 468 Organic compounds 471 Organic compounds 475 Organic compounds 480 Organic compounds 481 Organic compounds 488 Organic compounds 490 Organic compounds 493 Organic compounds 494 Organic compounds 499 Organic compounds 508 Organic compounds 510 Organic compounds 514 Organic compounds 515 Organic compounds 524 Organic compounds 525 Organic compounds 526 Organic compounds 528 Organic compounds 530 Organic compounds 532 Organic compounds 537 Organic compounds 538 Organic compounds 540 Organic compounds 544 Organic compounds 547 Organic compounds 553 Organic compounds 559 Organic compounds 561 Organic compounds 565 Organic compounds 567 Organic compounds 568 Organic compounds 569 Organic compounds 570 Organic compounds 575 Organic compounds 577 Organic compounds 581 Organic compounds 583 Organic compounds 584 Organic compounds 585 Organic compounds 589 Organic compounds 590 Organic compounds 591 Organic compounds 592 Organic compounds 595 Organic compounds 596 Organic compounds 597 Organic compounds 598 Organic compounds 599 Organic compounds 601 Organic compounds 602 Organic compounds 603 Organic compounds 604 Organic compounds 605 Organic compounds 606 Organic compounds 607 Organic compounds 609 Organic compounds 611 Organic compounds 614 Organic compounds 619 Organic compounds 623 Organic compounds 627 Organic compounds 629 Organic compounds 632 Organic compounds 634 Organic compounds 635 Organic compounds 637 Organic compounds 647 Organic compounds 654 Organic compounds 656 Organic compounds 657 Organic compounds 658 Organic compounds 660 Organic compounds 663 Organic compounds 668 Organic compounds 669 Organic compounds 672 Organic compounds 673 Organic compounds 674 Organic compounds 678 Organic compounds 681 Organic compounds 682 Organic compounds 687 Organic compounds 688 Organic compounds 689 Organic compounds 690 Organic compounds 691 Organic compounds 694 Organic compounds 696 Organic compounds 699 Organic compounds 701 Organic compounds 702 Organic compounds 706 Organic compounds 708 Organic compounds 709 Organic compounds 710 Organic compounds 711 Organic compounds 712 Organic compounds 715 Organic compounds 716 Organic compounds 718 Organic compounds 720 Organic compounds 721 Organic compounds 722 Organic compounds 723 Organic compounds 724 Organic compounds 726 Organic compounds 727 Organic compounds 729 Organic compounds 730 Organic compounds 731 Organic compounds 732 Organic compounds 733 Organic compounds 734 Organic compounds 735 Organic compounds 736 Organic compounds 738 Organic compounds 739 Organic compounds Warning: The "HMDB_taxonomy" column at position 16 in the METABOLITES table, matches a standard column name, "hmdb_id", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 0 Carboxylic acids and derivatives 1 Carboxylic acids and derivatives 7 Carboxylic acids and derivatives 9 Organooxygen compounds 10 Organonitrogen compounds 13 Diazines 16 Carboxylic acids and derivatives 17 Organooxygen compounds 21 Steroids and steroid derivatives 22 Phenols 23 Carboxylic acids and derivatives 24 Organic phosphoric acids and derivatives 26 Organonitrogen compounds 27 Organonitrogen compounds 29 Isoflavonoids 32 Lactones 35 Organonitrogen compounds 37 Carboxylic acids and derivatives 38 Pyridines and derivatives 41 Fatty Acyls 42 Phenols 43 Steroids and steroid derivatives 44 Prenol lipids 47 Organonitrogen compounds 50 Organooxygen compounds 52 Fatty Acyls 53 Organooxygen compounds 55 Triphenyl compounds 56 Carboxylic acids and derivatives 58 Steroids and steroid derivatives 62 Piperidines 65 Cinnamaldehydes 66 Indoles and derivatives 67 Carboximidic acids and derivatives 68 Carboxylic acids and derivatives 70 Benzene and substituted derivatives 72 Benzene and substituted derivatives 75 Organooxygen compounds 77 Purine nucleosides 80 Indoles and derivatives 82 Fatty Acyls 83 Benzopyrans 84 Benzene and substituted derivatives 85 Fatty Acyls 88 Carboxylic acids and derivatives 92 Benzene and substituted derivatives 93 Flavonoids 94 Prenol lipids 95 Tetracyclines 100 Carboxylic acids and derivatives 103 Prenol lipids 104 Carboxylic acids and derivatives 106 Flavonoids 108 Benzene and substituted derivatives 110 Fatty Acyls 111 Carboxylic acids and derivatives 113 Fatty Acyls 115 Benzene and substituted derivatives 120 Fatty Acyls 121 Fatty Acyls 127 Organonitrogen compounds 131 Carboxylic acids and derivatives 136 Prenol lipids 138 Benzene and substituted derivatives 142 5'-deoxyribonucleosides 147 Phenol ethers 148 Steroids and steroid derivatives 153 Carboximidic acids and derivatives 154 Organonitrogen compounds 159 Fluorenes 163 Fatty Acyls 165 Carboxylic acids and derivatives 168 Macrolides and analogues 179 Benzimidazoles 180 Carboxylic acids and derivatives 186 Benzene and substituted derivatives 187 Benzene and substituted derivatives 188 Glycerolipids 190 Fatty Acyls 191 Benzene and substituted derivatives 193 Phenanthrenes and derivatives 194 Imidazopyrimidines 203 Carboxylic acids and derivatives 205 Phenol ethers 212 Purine nucleosides 217 Carboxylic acids and derivatives 218 Cinnamic acids and derivatives 223 Phenols 224 Pyridines and derivatives 228 Prenol lipids 229 Fatty Acyls 232 Fatty Acyls 234 Organic sulfonic acids and derivatives 235 Benzene and substituted derivatives 246 Cycloheptathiophenes 247 Benzene and substituted derivatives 250 Indoles and derivatives 260 Organooxygen compounds 261 Imidazopyrimidines 263 Benzene and substituted derivatives 268 Carboxylic acids and derivatives 277 Furans 280 Naphthalenes 283 Carboxylic acids and derivatives 285 Fatty Acyls 287 Organonitrogen compounds 289 Benzene and substituted derivatives 294 Fatty Acyls 299 Piperidines 302 Carboxylic acids and derivatives 304 Fatty Acyls 306 Pteridines and derivatives 307 Quinolines and derivatives 309 Organonitrogen compounds 311 Fatty Acyls 313 Fatty Acyls 315 Organooxygen compounds 316 Flavonoids 317 Pyrrolizines 318 Organooxygen compounds 320 Benzene and substituted derivatives 321 Benzimidazoles 324 Lactams 325 Organonitrogen compounds 327 Organooxygen compounds 328 Benzothiazoles 332 Benzene and substituted derivatives 333 Organic phosphonic acids and derivatives 335 Fatty Acyls 338 Organoiodides 341 Organic phosphonic acids and derivatives 342 Purine nucleosides 345 Carboxylic acids and derivatives 346 Naphthofurans 347 Lactams 348 Dihydrofurans 350 Macrolides and analogues 353 Carboxylic acids and derivatives 354 Organic carbonic acids and derivatives 356 Fatty Acyls 358 Sphingolipids 360 Prenol lipids 363 Carboxylic acids and derivatives 364 Benzoxazines 365 Organooxygen compounds 367 Pyrenes 368 Organooxygen compounds 374 Carboxylic acids and derivatives 377 Prenol lipids 378 Organic phosphoric acids and derivatives 382 Organooxygen compounds 386 Benzene and substituted derivatives 389 Prenol lipids 390 Organooxygen compounds 391 Hydroxy acids and derivatives 392 Carboxylic acids and derivatives 393 Glycerophospholipids 396 Benzene and substituted derivatives 399 Quinolines and derivatives 401 Benzothiazoles 409 Carboxylic acids and derivatives 412 Organonitrogen compounds 416 Thioethers 417 Flavonoids 421 Glycerophospholipids 422 Benzene and substituted derivatives 423 Carboxylic acids and derivatives 424 Carboxylic acids and derivatives 425 Stilbenes 426 Pteridines and derivatives 435 Carboxylic acids and derivatives 436 Benzene and substituted derivatives 437 Quinolines and derivatives 438 Organooxygen compounds 443 Quinolines and derivatives 444 Pyridines and derivatives 446 Indanes 447 Prenol lipids 449 Carboxylic acids and derivatives 451 Anthracyclines 452 Benzene and substituted derivatives 457 Benzimidazoles 458 Organooxygen compounds 461 Organic phosphoric acids and derivatives 466 Prenol lipids 468 Diazines 471 Benzene and substituted derivatives 475 Steroids and steroid derivatives 480 Phenol ethers 481 Peptidomimetics 488 Flavonoids 490 Organooxygen compounds 493 Organonitrogen compounds 494 Quinolines and derivatives 499 Dioxanes 508 Prenol lipids 510 6,6a-secoaporphines 514 Pyrimidine nucleosides 515 Benzene and substituted derivatives 524 Benzothiazines 525 Fatty Acyls 526 Pyridines and derivatives 528 Benzene and substituted derivatives 530 Benzothiazines 532 Organooxygen compounds 537 Organooxygen compounds 538 Benzothiazepines 540 Stilbenes 544 Steroids and steroid derivatives 547 Imidazopyrimidines 553 Flavonoids 559 Pyridines and derivatives 561 Peptidomimetics 565 Phenanthrenes and derivatives 567 Flavonoids 568 Coumarins and derivatives 569 Carboxylic acids and derivatives 570 Imidazopyrimidines 575 Benzothiazepines 577 Organic phosphoric acids and derivatives 581 Benzene and substituted derivatives 583 Benzopyrans 584 Pyrimidine nucleotides 585 Benzene and substituted derivatives 589 Fatty Acyls 590 Steroids and steroid derivatives 591 Benzene and substituted derivatives 592 Benzene and substituted derivatives 595 Carboxylic acids and derivatives 596 Benzene and substituted derivatives 597 Glycerophospholipids 598 Carboxylic acids and derivatives 599 Cytochalasans 601 Benzene and substituted derivatives 602 Pyrimidine nucleosides 603 Organonitrogen compounds 604 Azoles 605 Flavonoids 606 Benzene and substituted derivatives 607 Benzene and substituted derivatives 609 Benzene and substituted derivatives 611 Benzothiazines 614 Protoberberine alkaloids and derivatives 619 Benzodiazepines 623 Benzopyrans 627 Indoles and derivatives 629 Macrolides and analogues 632 Organooxygen compounds 634 Prenol lipids 635 Flavonoids 637 Anthracenes 647 Azoles 654 Prenol lipids 656 Organonitrogen compounds 657 Steroids and steroid derivatives 658 Benzene and substituted derivatives 660 Benzopyrans 663 Carboxylic acids and derivatives 668 Diazines 669 Organonitrogen compounds 672 Prenol lipids 673 Quinolines and derivatives 674 Diazanaphthalenes 678 Prenol lipids 681 Benzodioxoles 682 Organonitrogen compounds 687 Steroids and steroid derivatives 688 Diazinanes 689 Carboxylic acids and derivatives 690 Benzene and substituted derivatives 691 Carboxylic acids and derivatives 694 Carboxylic acids and derivatives 696 Organooxygen compounds 699 Macrolides and analogues 701 Organooxygen compounds 702 Pyrimidine nucleotides 706 Steroids and steroid derivatives 708 Isocoumarans 709 Azolidines 710 Thiadiazines 711 Imidazopyrimidines 712 Anthracenes 715 Steroids and steroid derivatives 716 Pyridines and derivatives 718 Benzene and substituted derivatives 720 Naphthalenes 721 Indoles and derivatives 722 Fatty Acyls 723 Diazines 724 Fatty Acyls 726 Benzene and substituted derivatives 727 Organonitrogen compounds 729 Carboximidic acids and derivatives 730 Fatty Acyls 731 Pyridines and derivatives 732 Imidazopyrimidines 733 Carboxylic acids and derivatives 734 Purine nucleosides 735 Oxazinanes 736 Organonitrogen compounds 738 Imidazopyrimidines 739 Steroids and steroid derivatives Warning: The "LM_ID(lipidmaps)" column at position 8 in the METABOLITES table, matches a standard column name, "lm_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "CATEGORY(lipidmaps)" column at position 9 in the METABOLITES table, matches a standard column name, "lm_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "MAIN_CLASS(lipidmaps)" column at position 10 in the METABOLITES table, matches a standard column name, "lm_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "CATEGORY(lipidmaps)" column at position 9 in the METABOLITES table, matches a standard column name, "lm_id", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 29 Polyketides [PK] 43 Sterol Lipids [ST] 52 Fatty Acyls [FA] 58 Sterol Lipids [ST] 61 Fatty Acyls [FA] 67 Fatty Acyls [FA] 94 Prenol Lipids [PR] 95 Polyketides [PK] 110 Fatty Acyls [FA] 127 Sphingolipids [SP] 148 Sterol Lipids [ST] 153 Fatty Acyls [FA] 163 Fatty Acyls [FA] 229 Fatty Acyls [FA] 232 Fatty Acyls [FA] 253 Polyketides [PK] 264 Fatty Acyls [FA] 301 Polyketides [PK] 304 Fatty Acyls [FA] 311 Fatty Acyls [FA] 335 Fatty Acyls [FA] 350 Polyketides [PK] 356 Fatty Acyls [FA] 360 Prenol Lipids [PR] 361 Prenol Lipids [PR] 362 Prenol Lipids [PR] 389 Prenol Lipids [PR] 413 Glycerophospholipids [GP] 417 Polyketides [PK] 451 Polyketides [PK] 459 Prenol Lipids [PR] 466 Prenol Lipids [PR] 473 Polyketides [PK] 475 Sterol Lipids [ST] 488 Polyketides [PK] 525 Fatty Acyls [FA] 531 Polyketides [PK] 536 Polyketides [PK] 553 Polyketides [PK] 567 Polyketides [PK] 589 Fatty Acyls [FA] 590 Sterol Lipids [ST] 599 Polyketides [PK] 603 Fatty Acyls [FA] 634 Prenol Lipids [PR] 645 Polyketides [PK] 676 Polyketides [PK] 722 Fatty Acyls [FA] 730 Fatty Acyls [FA] 739 Sterol Lipids [ST] Warning: The "MAIN_CLASS(lipidmaps)" column at position 10 in the METABOLITES table, matches a standard column name, "lm_id", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 29 Flavonoids [PK12] 43 Steroids [ST02] 52 Fatty Acids and Conjugates [FA01] 58 Steroids [ST02] 61 Fatty amides [FA08] 67 Fatty amides [FA08] 94 Isoprenoids [PR01] 95 Linear tetracyclines [PK07] 110 Fatty amides [FA08] 127 Sphingoid bases [SP01] 148 Steroids [ST02] 153 Fatty amides [FA08] 163 Fatty amides [FA08] 229 Fatty amides [FA08] 232 Fatty esters [FA07] 253 Flavonoids [PK12] 264 Fatty amides [FA08] 301 Flavonoids [PK12] 304 Fatty esters [FA07] 311 Eicosanoids [FA03] 335 Fatty Acids and Conjugates [FA01] 350 Macrolides and lactone polyketides [PK04] 356 Fatty esters [FA07] 360 Isoprenoids [PR01] 361 Isoprenoids [PR01] 362 Isoprenoids [PR01] 389 Polyprenols [PR03] 413 Glycerophosphoserines [GP03] 417 Flavonoids [PK12] 451 Aromatic polyketides [PK13] 459 Isoprenoids [PR01] 466 Isoprenoids [PR01] 473 Flavonoids [PK12] 475 Steroid conjugates [ST05] 488 Flavonoids [PK12] 525 Fatty amides [FA08] 531 Flavonoids [PK12] 536 Flavonoids [PK12] 553 Flavonoids [PK12] 567 Flavonoids [PK12] 589 Eicosanoids [FA03] 590 Steroids [ST02] 599 Cytochalasins [PK11] 603 Fatty amides [FA08] 634 Isoprenoids [PR01] 645 Flavonoids [PK12] 676 Flavonoids [PK12] 722 Fatty esters [FA07] 730 Fatty alcohols [FA05] 739 Steroids [ST02] Warning: The "CAS" column at position 13 in the METABOLITES table, matches a standard column name, "cas_number". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "CAS" column at position 13 in the METABOLITES table, matches a standard column name, "cas_number", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 223 2494/12/4 559 1954/11/5 570 1958/8/2 687 5534/9/8 Warning: The "Retention time (min)" column at position 5 in the METABOLITES table, matches a standard column name, "retention_time". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "KEGG_annotation" column at position 6 in the METABOLITES table, matches a standard column name, "annotations". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "KEGG_pathway_annotation" column at position 7 in the METABOLITES table, matches a standard column name, "annotations". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The column, "MAIN_CLASS(lipidmaps)", in the METABOLITES table was matched to multiple standard names, ['class', 'lm_id']. This is a good indication that the values in that column should be split into the appropriate individual columns. Warning: The column, "KEGG_pathway_annotation", in the METABOLITES table was matched to multiple standard names, ['pathway', 'kegg_id', 'annotations']. This is a good indication that the values in that column should be split into the appropriate individual columns. Warning: The column, "KEGG_annotation", in the METABOLITES table was matched to multiple standard names, ['kegg_id', 'annotations']. This is a good indication that the values in that column should be split into the appropriate individual columns. Warning: The "KEGG_pathway_annotation" column at position 7 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different. Warning: The "LM_ID(lipidmaps)" column at position 8 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different. Warning: The "CATEGORY(lipidmaps)" column at position 9 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different. Warning: The "MAIN_CLASS(lipidmaps)" column at position 10 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different. Warning: The "SUB_CLASS" column at position 11 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different.