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ZINC ID
Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
Annotations; Similarity
Structure

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96129960
 
#1

Bovine Metabolome: BMDB09109
96129959
 
#2

Bovine Metabolome: BMDB09108
96129958
 
#3

Bovine Metabolome: BMDB09107
96129957
 
#4

Bovine Metabolome: BMDB09106
96129956
 
#5

Bovine Metabolome: BMDB09105
96129955
 
#6

Bovine Metabolome: BMDB09104
96129954
 
#7

Bovine Metabolome: BMDB09103
95636534
 
#8

Biocyc via PubChem: CPD-8337
Bovine Metabolome: BMDB12380
85588177
 
#9

Sigma Aldrich (Building Blocks): 51581|SIGMA
Biocyc via PubChem: CPD-8332
Bovine Metabolome: BMDB12357
ChEBI: CHEBI:34086, CHEBI:75029
HMDB Endogenous: HMDB12357...12 total

30730165
 
#10

Bovine Metabolome: BMDB12310
Food Database: FDB028932
HMDB Endogenous: HMDB12310
Human Metabolome Database: HMDB12310
KEGG via PubChem: C15978...7 total

mid: mol2, SDF, SMILES, flexibase
-4.07,3.35,-116.17,4,12,-1, 509.438, 11
lo: mol2, SDF, SMILES, flexibase
-4.07,3.78,-150.36,5,12,0, 510.446, 11

Similar to: 30730173, 30730176, 36470932,
30730169
 
#11

Bovine Metabolome: BMDB12310
Food Database: FDB028932
HMDB Endogenous: HMDB12310
Human Metabolome Database: HMDB12310
KEGG via PubChem: C15978...7 total

mid: mol2, SDF, SMILES, flexibase
-4.07,2.86,-121.16,4,12,-1, 509.438, 11
lo: mol2, SDF, SMILES, flexibase
-4.07,3.29,-159.66,5,12,0, 510.446, 11

Similar to: 30730173, 30730176, 36470932,
30724410
 
#12

Biocyc via PubChem: CPD-223
Bovine Metabolome: BMDB12304
ChEBI: CHEBI:17683, CHEBI:58233
HMDB Endogenous: HMDB12304
Human Metabolome Database: HMDB12304...9 total

8217675
 
#13

Biocyc via PubChem: CPD-223
Bovine Metabolome: BMDB12304
ChEBI: CHEBI:17683, CHEBI:58233
HMDB Endogenous: HMDB12304
Human Metabolome Database: HMDB12304...9 total


Similar to: 30320690, 30724402, 33979229, 33979230, 33979231, ... 9 in total.
30724406
 
#14

Biocyc via PubChem: CPD-223
Bovine Metabolome: BMDB12304
ChEBI: CHEBI:17683, CHEBI:58233
HMDB Endogenous: HMDB12304
Human Metabolome Database: HMDB12304...9 total

30320799
 
#15

Biocyc via PubChem: UDP-D-GALACTURONATE
Bovine Metabolome: BMDB12302
ChEBI: CHEBI:57635, CHEBI:16085
HMDB Endogenous: HMDB12302
Human Metabolome Database: HMDB12302...7 total

8551198
 
#16

Biocyc via PubChem: UDP-D-GALACTURONATE
Bovine Metabolome: BMDB12302
ChEBI: CHEBI:57635, CHEBI:16085
HMDB Endogenous: HMDB12302
Human Metabolome Database: HMDB12302...7 total


Similar to: 30320690, 30724402, 33979229, 33979230, 33979231, ... 9 in total.
40165554
 
#17

Biocyc via PubChem: O-UREIDOHOMOSERINE
Bovine Metabolome: BMDB12271
Food Database: FDB028907
HMDB Endogenous: HMDB12271
Human Metabolome Database: HMDB12271...8 total

ref: mol2, SDF, SMILES, flexibase
-3.74,-2.2,-52.22,6,7,0, 177.16, 5
mid: mol2, SDF, SMILES, flexibase
-4.11,-5.31,-41.46,6,7,0, 177.16, 5
mid: mol2, SDF, SMILES, flexibase
-3.99,-4.1,-82.07,7,7,1, 178.168, 6
hi: mol2, SDF, SMILES, flexibase
-4.11,-5.63,-49.92,5,7,-1, 176.152, 5
hi: mol2, SDF, SMILES, flexibase
-3.74,-2.55,-54.22,5,7,-1, 176.152, 5

Similar to: 40165553,
40165553
 
#18

Bovine Metabolome: BMDB12271
Food Database: FDB028907
HMDB Endogenous: HMDB12271
Human Metabolome Database: HMDB12271
Urine Metabolome: HMDB12271...5 total

ref: mol2, SDF, SMILES, flexibase
-3.99,-5.32,-44.38,6,7,0, 177.16, 6
mid: mol2, SDF, SMILES, flexibase
-4.11,-5.33,-41.75,6,7,0, 177.16, 5
mid: mol2, SDF, SMILES, flexibase
-3.99,-4.12,-82.44,7,7,1, 178.168, 6
hi: mol2, SDF, SMILES, flexibase
-4.11,-5.65,-47.77,5,7,-1, 176.152, 5
hi: mol2, SDF, SMILES, flexibase
-3.99,-5.64,-45.9,5,7,-1, 176.152, 6

Similar to: 40165554,
62235912
 
#19

Biocyc via PubChem: CPD-8122
Bovine Metabolome: BMDB12262
HMDB Endogenous: HMDB12262
Human Metabolome Database: HMDB12262
Urine Metabolome: HMDB12262...5 total

ref: mol2, SDF, SMILES, flexibase
-2.25,-3.69,-147,9,22,-2, 722.552, 9
mid: mol2, SDF, SMILES, flexibase
-2.25,-3.15,-214.82,9,22,-3, 721.544, 9
62235910
 
#20

Biocyc via PubChem: CPD-8122
Bovine Metabolome: BMDB12262
HMDB Endogenous: HMDB12262
Human Metabolome Database: HMDB12262
Urine Metabolome: HMDB12262...5 total

ref: mol2, SDF, SMILES, flexibase
-2.25,-3.96,-145.92,9,22,-2, 722.552, 9
mid: mol2, SDF, SMILES, flexibase
-2.25,-3.43,-215.11,9,22,-3, 721.544, 9
62235906
 
#21

Biocyc via PubChem: CPD-8122
Bovine Metabolome: BMDB12262
HMDB Endogenous: HMDB12262
Human Metabolome Database: HMDB12262
Urine Metabolome: HMDB12262...5 total

ref: mol2, SDF, SMILES, flexibase
-2.25,-2.91,-150.13,9,22,-2, 722.552, 9
mid: mol2, SDF, SMILES, flexibase
-2.25,-2.38,-219.17,9,22,-3, 721.544, 9
62235904
 
#22

Biocyc via PubChem: CPD-8122
Bovine Metabolome: BMDB12262
HMDB Endogenous: HMDB12262
Human Metabolome Database: HMDB12262
Urine Metabolome: HMDB12262...5 total

ref: mol2, SDF, SMILES, flexibase
-2.25,-2.13,-149.12,9,22,-2, 722.552, 9
mid: mol2, SDF, SMILES, flexibase
-2.25,-1.59,-216.55,9,22,-3, 721.544, 9
87520447
 
#23

Biocyc via PubChem: IMIDAZOLE-ACETOL-P
Bovine Metabolome: BMDB12236
ChEBI: CHEBI:16426, CHEBI:57766
E. coli Metabolome Database: ECMDB12236
Food Database: FDB028879...12 total

55749134
 
#24

Biocyc via PubChem: HISTIDINAL
BOC Sciences BB (Depleted): 23784-15-8
Bovine Metabolome: BMDB12234
ChEBI: CHEBI:64802, CHEBI:27676
ChEMBL12: CHEMBL1233425...18 total

mid: mol2, SDF, SMILES, flexibase
-0.59,-0.12,-25.22,4,4,0, 139.158, 2
mid: mol2, SDF, SMILES, flexibase
-0.59,-0.08,-28.94,4,4,0, 139.158, 2
hi: mol2, SDF, SMILES, flexibase
-0.97,0.36,-8.48,3,4,0, 139.158, 3
hi: mol2, SDF, SMILES, flexibase
-0.97,0.36,-11.09,3,4,0, 139.158, 3
lo: mol2, SDF, SMILES, flexibase
-0.97,1.13,-105.74,5,4,2, 141.174, 3
16343128
 
#25

Biocyc via PubChem: ALL-TRANS-PENTAPRENYL-DIPHOSPHATE
Bovine Metabolome: BMDB12231
ChEBI: CHEBI:57907, CHEBI:53048, CHEBI:16818
Collaborative Drug Discovery: 1028921
E. coli Metabolome Database: ECMDB20309...15 total

30724094
 
#26

Biocyc via PubChem: ALL-TRANS-HEXAPRENYL-DIPHOSPHATE
Bovine Metabolome: BMDB12188
ChEBI: CHEBI:17528, CHEBI:58179, CHEBI:53047
Collaborative Drug Discovery: 1029321
E. coli Metabolome Database: ECMDB20308...17 total

mid: mol2, SDF, SMILES, flexibase
8.65,18.79,-125.39,1,7,-2, 584.671, 20

Similar to: 34647008,
30725185
 
#27

Biocyc via PubChem: ALL-TRANS-HEPTAPRENYL-DIPHOSPHATE
Bovine Metabolome: BMDB12187
ChEBI: CHEBI:58206, CHEBI:53046, CHEBI:17613
Collaborative Drug Discovery: 1029322
E. coli Metabolome Database: ECMDB20307...15 total


Similar to: 34647008, 8217074, 8219146, 8219152, 12494625, ... 10 in total.
85587642
 
#28

Bovine Metabolome: BMDB11713
HMDB Endogenous: HMDB42392, HMDB11713
HMDB Food: HMDB42392, HMDB11713
Human Metabolome Database: HMDB11713, HMDB42392
ref: mol2, SDF, SMILES, flexibase
10.67,39.5,-11.76,0,6,0, 819.35, 50
85587608
 
#29

Bovine Metabolome: BMDB11701
HMDB Endogenous: HMDB43035, HMDB11701
HMDB Food: HMDB43035, HMDB11701
Human Metabolome Database: HMDB11701, HMDB43035
ref: mol2, SDF, SMILES, flexibase
10.64,40.39,-10.09,0,6,0, 843.372, 50
13507717
 
#30

Biocyc via PubChem: CPD-541
Bovine Metabolome: BMDB11649
ChEBI: CHEBI:58444, CHEBI:18321
Food Database: FDB011624
Frontier (Depleted): P-0000...11 total

ref: mol2, SDF, SMILES, flexibase
-4.24,-13.21,-57.72,7,11,-1, 333.206, 6

Similar to: 31541864, 31541869, 31976755, 31976884, 34230511, ... 23 in total.
87515325
 
#31

Bovine Metabolome: BMDB11612
ChEBI: CHEBI:60470, CHEBI:40260
HMDB Endogenous: HMDB11612
Human Metabolome Database: HMDB11612
87515324
 
#32

Bovine Metabolome: BMDB11612
ChEBI: CHEBI:60470, CHEBI:40260
HMDB Endogenous: HMDB11612
Human Metabolome Database: HMDB11612
87515323
 
#33

Bovine Metabolome: BMDB11612
ChEBI: CHEBI:60470, CHEBI:40260
HMDB Endogenous: HMDB11612
Human Metabolome Database: HMDB11612
84462357
 
#34

Acros Organics: 37979
AK Scientific: X5709
Anward: ANW-54285
Ark Pharm Building Blocks: AK-94088
BePharm Building Blocks: B88144...46 total

32840804
 
#35

Bovine Metabolome: BMDB11529
HMDB Endogenous: HMDB11529
HMDB Food: HMDB11529
Human Metabolome Database: HMDB11529
Urine Metabolome: HMDB11529...5 total

32840800
 
#36

Bovine Metabolome: BMDB11528
HMDB Endogenous: HMDB11528
HMDB Food: HMDB11528
Human Metabolome Database: HMDB11528
Urine Metabolome: HMDB11528...5 total

32840796
 
#37

Bovine Metabolome: BMDB11527
HMDB Endogenous: HMDB11527
HMDB Food: HMDB11527
Human Metabolome Database: HMDB11527
Urine Metabolome: HMDB11527...5 total

32840792
 
#38

Bovine Metabolome: BMDB11526
ChEBI: CHEBI:72747
HMDB Endogenous: HMDB11526
HMDB Food: HMDB11526
Human Metabolome Database: HMDB11526...7 total

32840788
 
#39

Bovine Metabolome: BMDB11525
HMDB Endogenous: HMDB11525
HMDB Food: HMDB11525
Human Metabolome Database: HMDB11525
Urine Metabolome: HMDB11525...5 total

32840784
 
#40

Bovine Metabolome: BMDB11524
HMDB Endogenous: HMDB11524
HMDB Food: HMDB11524
Human Metabolome Database: HMDB11524
Urine Metabolome: HMDB11524...5 total

32840780
 
#41

Bovine Metabolome: BMDB11523
HMDB Endogenous: HMDB11523
HMDB Food: HMDB11523
Human Metabolome Database: HMDB11523
Lipidomics: LMGP02050014...6 total

32840776
 
#42

Bovine Metabolome: BMDB11522
HMDB Endogenous: HMDB11522
HMDB Food: HMDB11522
Human Metabolome Database: HMDB11522
Lipidomics: LMGP02050024...6 total

32840772
 
#43

Bovine Metabolome: BMDB11521
HMDB Endogenous: HMDB11521
HMDB Food: HMDB11521
Human Metabolome Database: HMDB11521
Urine Metabolome: HMDB11521...5 total

32840768
 
#44

Bovine Metabolome: BMDB11520
HMDB Endogenous: HMDB11520
HMDB Food: HMDB11520
Human Metabolome Database: HMDB11520
Lipidomics: LMGP02050025...6 total

32840764
 
#45

Bovine Metabolome: BMDB11519
HMDB Endogenous: HMDB11519
HMDB Food: HMDB11519
Human Metabolome Database: HMDB11519
Lipidomics: LMGP02050027...6 total

32840760
 
#46

Bovine Metabolome: BMDB11518
ChEBI: CHEBI:72742
HMDB Endogenous: HMDB11518
HMDB Food: HMDB11518
Human Metabolome Database: HMDB11518...6 total

13544277
 
#47

Bovine Metabolome: BMDB11517
ChEBI: CHEBI:64395
HMDB Endogenous: HMDB11517
HMDB Food: HMDB11517
Human Metabolome Database: HMDB11517...7 total

32840756
 
#48

Bovine Metabolome: BMDB11516
HMDB Endogenous: HMDB11516
HMDB Food: HMDB11516
Human Metabolome Database: HMDB11516
Lipidomics: LMGP02050022...6 total

32840752
 
#49

Bovine Metabolome: BMDB11515
HMDB Endogenous: HMDB11515
HMDB Food: HMDB11515
Human Metabolome Database: HMDB11515
Urine Metabolome: HMDB11515...5 total

32840748
 
#50

Bovine Metabolome: BMDB11514
HMDB Endogenous: HMDB11514
HMDB Food: HMDB11514
Human Metabolome Database: HMDB11514
Urine Metabolome: HMDB11514...5 total

32840744
 
#51

Bovine Metabolome: BMDB11513
HMDB Endogenous: HMDB11513
HMDB Food: HMDB11513
Human Metabolome Database: HMDB11513
Lipidomics: LMGP02050021...6 total

32840740
 
#52

Bovine Metabolome: BMDB11512
HMDB Endogenous: HMDB11512
HMDB Food: HMDB11512
Human Metabolome Database: HMDB11512
Lipidomics: LMGP02050020...6 total

32840736
 
#53

Bovine Metabolome: BMDB11511
HMDB Endogenous: HMDB11511
HMDB Food: HMDB11511
Human Metabolome Database: HMDB11511
Lipidomics: LMGP02050012...6 total

32840732
 
#54

Bovine Metabolome: BMDB11510
HMDB Endogenous: HMDB11510
HMDB Food: HMDB11510
Human Metabolome Database: HMDB11510
Lipidomics: LMGP02050018...6 total

32840728
 
#55

Biocyc via PubChem: CPD-8357
Bovine Metabolome: BMDB11509
HMDB Endogenous: HMDB11509
HMDB Food: HMDB11509
Human Metabolome Database: HMDB11509...7 total

32840724
 
#56

Bovine Metabolome: BMDB11508
HMDB Endogenous: HMDB11508
HMDB Food: HMDB11508
Human Metabolome Database: HMDB11508
Lipidomics: LMGP02050017...6 total

32840720
 
#57

Bovine Metabolome: BMDB11507
HMDB Endogenous: HMDB11507
HMDB Food: HMDB11507
Human Metabolome Database: HMDB11507
Lipidomics: LMGP02050011...6 total

32840716
 
#58

Biocyc via PubChem: CPD-8355
Bovine Metabolome: BMDB11506
ChEBI: CHEBI:60287, CHEBI:74971
HMDB Endogenous: HMDB11506
HMDB Food: HMDB11506...10 total

32840712
 
#59

Bovine Metabolome: BMDB11505
HMDB Endogenous: HMDB11505
HMDB Food: HMDB11505
Human Metabolome Database: HMDB11505
Urine Metabolome: HMDB11505...5 total

32840708
 
#60

Biocyc via PubChem: CPD-8354
Bovine Metabolome: BMDB11504
HMDB Endogenous: HMDB11504
HMDB Food: HMDB11504
Human Metabolome Database: HMDB11504...8 total

32840704
 
#61

BioSynth: P-1110
Biocyc via PubChem: CPD-8353
Bovine Metabolome: BMDB11503
ChEBI: CHEBI:73004
HMDB Endogenous: HMDB11503...11 total

32840700
 
#62

Bovine Metabolome: BMDB11502
HMDB Endogenous: HMDB11502
HMDB Food: HMDB11502
Human Metabolome Database: HMDB11502
Lipidomics: LMGP02050031...6 total

32840692
 
#63

BioSynth: M-9510
Biocyc via PubChem: CPD0-2147
Bovine Metabolome: BMDB11500
HMDB Endogenous: HMDB11500
HMDB Food: HMDB11500...9 total

32840686
 
#64

Bovine Metabolome: BMDB11498
HMDB Endogenous: HMDB11498
HMDB Food: HMDB11498
Human Metabolome Database: HMDB11498
Urine Metabolome: HMDB11498...5 total

32840681
 
#65

Bovine Metabolome: BMDB11497
HMDB Endogenous: HMDB11497
HMDB Food: HMDB11497
Human Metabolome Database: HMDB11497
Urine Metabolome: HMDB11497...5 total

32840658
 
#66

Bovine Metabolome: BMDB11491
HMDB Endogenous: HMDB11491
HMDB Food: HMDB11491
Human Metabolome Database: HMDB11491
Urine Metabolome: HMDB11491...5 total

32840653
 
#67

Bovine Metabolome: BMDB11490
HMDB Endogenous: HMDB11490
HMDB Food: HMDB11490
Human Metabolome Database: HMDB11490
Urine Metabolome: HMDB11490...5 total

32840626
 
#68

Bovine Metabolome: BMDB11482
HMDB Endogenous: HMDB11482
HMDB Food: HMDB11482
Human Metabolome Database: HMDB11482
Urine Metabolome: HMDB11482...5 total

32840621
 
#69

Bovine Metabolome: BMDB11481
HMDB Endogenous: HMDB11481
HMDB Food: HMDB11481
Human Metabolome Database: HMDB11481
Urine Metabolome: HMDB11481...5 total

32840602
 
#70

Bovine Metabolome: BMDB11476
ChEBI: CHEBI:76088
HMDB Endogenous: HMDB11476
HMDB Food: HMDB11476
Human Metabolome Database: HMDB11476...6 total

32840598
 
#71

Bovine Metabolome: BMDB11475
HMDB Endogenous: HMDB11475
HMDB Food: HMDB11475
Human Metabolome Database: HMDB11475
Urine Metabolome: HMDB11475...5 total

32840594
 
#72

Bovine Metabolome: BMDB11474
HMDB Endogenous: HMDB11474
HMDB Food: HMDB11474
Human Metabolome Database: HMDB11474
Urine Metabolome: HMDB11474...5 total

32840589
 
#73

Biocyc via PubChem: CPD0-2177
Bovine Metabolome: BMDB11473
HMDB Endogenous: HMDB11473
HMDB Food: HMDB11473
Human Metabolome Database: HMDB11473...6 total

32840585
 
#74

Bovine Metabolome: BMDB11472
HMDB Endogenous: HMDB11472
HMDB Food: HMDB11472
Human Metabolome Database: HMDB11472
Urine Metabolome: HMDB11472...5 total

32840577
 
#75

Biocyc via PubChem: CPD0-2165
Bovine Metabolome: BMDB11470
HMDB Endogenous: HMDB11470
HMDB Food: HMDB11470
Human Metabolome Database: HMDB11470...6 total

95621404
 
#76

Bovine Metabolome: BMDB11414
HMDB Endogenous: HMDB11414
HMDB Food: HMDB11414
Urine Metabolome: HMDB11414
95621403
 
#77

Bovine Metabolome: BMDB11413
HMDB Endogenous: HMDB11413
HMDB Food: HMDB11413
Urine Metabolome: HMDB11413
95621402
 
#78

Bovine Metabolome: BMDB11412
HMDB Endogenous: HMDB11412
HMDB Food: HMDB11412
Urine Metabolome: HMDB11412
95621401
 
#79

Bovine Metabolome: BMDB11411
HMDB Endogenous: HMDB11411
HMDB Food: HMDB11411
Urine Metabolome: HMDB11411
95621400
 
#80

Bovine Metabolome: BMDB11410
HMDB Endogenous: HMDB11410
HMDB Food: HMDB11410
Urine Metabolome: HMDB11410
95621399
 
#81

Bovine Metabolome: BMDB11409
HMDB Endogenous: HMDB11409
HMDB Food: HMDB11409
Urine Metabolome: HMDB11409
95621398
 
#82

Bovine Metabolome: BMDB11408
HMDB Endogenous: HMDB11408
HMDB Food: HMDB11408
Urine Metabolome: HMDB11408
95621397
 
#83

Bovine Metabolome: BMDB11407
HMDB Endogenous: HMDB11407
HMDB Food: HMDB11407
Urine Metabolome: HMDB11407
95621396
 
#84

Bovine Metabolome: BMDB11406
HMDB Endogenous: HMDB11406
HMDB Food: HMDB11406
Urine Metabolome: HMDB11406
95621395
 
#85

Bovine Metabolome: BMDB11405
HMDB Endogenous: HMDB11405
HMDB Food: HMDB11405
Urine Metabolome: HMDB11405
95621394
 
#86

Bovine Metabolome: BMDB11404
HMDB Endogenous: HMDB11404
HMDB Food: HMDB11404
Urine Metabolome: HMDB11404
95621393
 
#87

Bovine Metabolome: BMDB11403
HMDB Endogenous: HMDB11403
HMDB Food: HMDB11403
Urine Metabolome: HMDB11403
95621392
 
#88

Bovine Metabolome: BMDB11402
HMDB Endogenous: HMDB11402
HMDB Food: HMDB11402
Urine Metabolome: HMDB11402
95621391
 
#89

Bovine Metabolome: BMDB11401
HMDB Endogenous: HMDB11401
HMDB Food: HMDB11401
Urine Metabolome: HMDB11401
95621389
 
#90

Bovine Metabolome: BMDB11396
HMDB Endogenous: HMDB11396
HMDB Food: HMDB11396
95621388
 
#91

Bovine Metabolome: BMDB11395
HMDB Endogenous: HMDB11395
HMDB Food: HMDB11395
95621387
 
#92

Bovine Metabolome: BMDB11394
HMDB Endogenous: HMDB11394
HMDB Food: HMDB11394
Urine Metabolome: HMDB11394
95621386
 
#93

Bovine Metabolome: BMDB11393
HMDB Endogenous: HMDB11393
HMDB Food: HMDB11393
Urine Metabolome: HMDB11393
95621385
 
#94

Bovine Metabolome: BMDB11392
HMDB Endogenous: HMDB11392
HMDB Food: HMDB11392
Urine Metabolome: HMDB11392
95621384
 
#95

Bovine Metabolome: BMDB11391
HMDB Endogenous: HMDB11391
HMDB Food: HMDB11391
Urine Metabolome: HMDB11391
95621383
 
#96

Bovine Metabolome: BMDB11390
HMDB Endogenous: HMDB11390
HMDB Food: HMDB11390
Urine Metabolome: HMDB11390
95621382
 
#97

Bovine Metabolome: BMDB11389
HMDB Endogenous: HMDB11389
HMDB Food: HMDB11389
Urine Metabolome: HMDB11389
32840151
 
#98

Bovine Metabolome: BMDB11388
HMDB Endogenous: HMDB11388
HMDB Food: HMDB11388
Human Metabolome Database: HMDB11388
Urine Metabolome: HMDB11388...5 total

95621381
 
#99

Bovine Metabolome: BMDB11387
HMDB Endogenous: HMDB11387
HMDB Food: HMDB11387
Urine Metabolome: HMDB11387
95621380
 
#100

Bovine Metabolome: BMDB11386
HMDB Endogenous: HMDB11386
HMDB Food: HMDB11386
Urine Metabolome: HMDB11386

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select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 797 ) limit 0,100

Smiles were