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Endogenous Metabolite
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3,4-DihydroxybenzaldehydeCas Number: 139-85-5 EC Number: 205-377-7Formula: C7H6O3 Molecular Weight: 138.12IUPAC Name: 3,4-dihydroxybenzaldehydeSMILES: C1=CC(=C(C=C1C=O)O)OInChIKey: IBGBGRVKPALMCQ-UHFFFAOYSA-NInChI: InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10HSynonyms: 3,4-DHBAOP | 4,5-Dihydroxybenzaldehyde | NCGC00180319-01 | MEGxm0_000158 | PS-5533 | ACon1_001620 | UNII-4PVP2HCH4T |...
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Geniposidic acidCas Number: 27741-01-1Formula: C16H22O10 Molecular Weight: 374.34IUPAC Name: show more
SMILES: C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)COInChIKey: ZJDOESGVOWAULF-OGJQONSISA-NInChI: show more Synonyms: Q5533206 | NCGC00346663-03 | (1S,4aS,7aS)-7-(hydroxymethyl)-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tet... -
Estetrol, Estrogen receptor agonistCas Number: 15183-37-6Formula: C18H24O4 Molecular Weight: 304.38IUPAC Name: (8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrolSMILES: CC12CCC3C(C1C(C(C2O)O)O)CCC4=C3C=CC(=C4)OInChIKey: AJIPIJNNOJSSQC-NYLIRDPKSA-NInChI: show more Synonyms: estra-1,3,5(10)-triene-3,15alpha,16alpha,17beta-tetrol | Drovelis (EMA); ; estetrol monohydrate + drospirenone | EST...
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Glycerol solutionCas Number: 56-81-5 EC Number: 200-289-5Formula: C3H8O3 Molecular Weight: 92.09IUPAC Name: propane-1,2,3-triolSMILES: OCC(O)COInChIKey: PEDCQBHIVMGVHV-UHFFFAOYSA-NInChI: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2Synonyms: CHEBI:17754 | Glycerol 85% | Ophthalgan | PZN 7474853 | UNII-PDC6A3C0OX | 2-PROPANOL, 1,3-DIHYDROXY- | DYNASTIN 7 | G...
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γ-Globulins from bovine bloodCas Number: 9007-83-4
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Isovaleryl L-Carnitine-d9 ChlorideCas Number: 1334532-23-8 Compound CID: 348701850Formula: C12H15D9ClNO4 Molecular Weight: 290.83Synonyms: Isovalerylcarnitine-d9 chloride
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β-Elemonic acidCas Number: 28282-25-9Formula: C30H46O3 Molecular Weight: 454.68IUPAC Name: show more
SMILES: CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C)C(=O)O)CInChIKey: XLPAINGDLCDYQV-SDTWUMECSA-NInChI: show more Synonyms: BETA-ELEMONICACID | BDBM50039667 | (2S)-6-methyl-2-[(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,...
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SulfadoxinFormula: C12H14N4O4S Molecular Weight: 310.33IUPAC Name: 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamideSMILES: COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)NInChIKey: PJSFRIWCGOHTNF-UHFFFAOYSA-NInChI: InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)Synonyms: s2511 | Sanasil: Sulfadoxine: Sulformetoxin | SULFADOXINE [ORANGE BOOK] | SR-05000001523-3 | CAS-2447-57-6 | NCGC0001...
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β-glycerophosphate Sodium SolutionCas Number: 13408-09-8 EC Number: 212-464-3Formula: C3H7Na2O6P·5H2O Molecular Weight: 306.11IUPAC Name: disodium;1,3-dihydroxypropan-2-yl phosphate;pentahydrateSMILES: C(C(CO)OP(=O)([O-])[O-])O.O.O.O.O.O.[Na+].[Na+]InChIKey: PEMUISUYOHQFQH-UHFFFAOYSA-LInChI: InChI=1S/C3H9O6P.2Na.5H2O/c4-1-3(2-5)9-10(6,7)8;;;;;;;/h3-5H,1-2H2,(H2,6,7,8);;;5*1H2/q;2*+1;;;;;/p-2Synonyms: AC-26390 | DTXSID60158536 | Glycerol 2-phosphate | beta-Glycerophosphoric acid disodium salt pentahydrate | ss-glycer...
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Glycerol solutionCas Number: 56-81-5 EC Number: 200-289-5Formula: C3H8O3 Molecular Weight: 92.09IUPAC Name: propane-1,2,3-triolSMILES: OCC(O)COInChIKey: PEDCQBHIVMGVHV-UHFFFAOYSA-NInChI: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2Synonyms: CHEBI:17754 | Glycerol 85% | Ophthalgan | PZN 7474853 | UNII-PDC6A3C0OX | 2-PROPANOL, 1,3-DIHYDROXY- | DYNASTIN 7 | G...
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Tricosanoic AcidFormula: C23H46O2 Molecular Weight: 354.61IUPAC Name: tricosanoic acidSMILES: CCCCCCCCCCCCCCCCCCCCCCC(=O)OInChIKey: XEZVDURJDFGERA-UHFFFAOYSA-NInChI: InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)Synonyms: TRICOSANOICACID | s3352 | HY-W009081 | LMFA01010023 | SCHEMBL250860 | T0402 | UNII-MUC9A0MS6V | DTXSID40179067 | F23 ...
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Sterigmatocystin--13C18Formula: C18H12O6 Molecular Weight: 324.28IUPAC Name: (3S,7R)-15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-oneSMILES: COC1=C2C(=C3C4C=COC4OC3=C1)OC5=CC=CC(=C5C2=O)OInChIKey: UTSVPXMQSFGQTM-DCXZOGHSSA-NInChI: InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3/t8-,18+/m0/s1Synonyms: (3S,7R)-15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one ...
