CHEBI:193434 - Trillenogenin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Trillenogenin
ChEBI ID CHEBI:193434
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H36O8
Net Charge 0
Average Mass 476.566
Monoisotopic Mass 476.24102
InChI InChI=1S/C26H36O8/c1-11-10-33-26(24(32)21(11)30)17(9-27)20-15-5-6-16-14(19(15)22(31)23(20)34-26)4-3-12-7-13(28)8-18(29)25(12,16)2/h3,11,13-14,16-18,20-21,23-24,27-30,32H,4-10H2,1-2H3/t11-,13+,14+,16-,17-,18+,20-,21?,23+,24?,25-,26-/m0/s1
InChIKey BIKUIZPELKRTDU-RUFILWAYSA-N
SMILES O1[C@@]2([C@@](C3=C([C@]4([C@@]([C@@]5(C(=CC4)C[C@@H](O)C[C@H]5O)C)(CC3)[H])[H])C2=O)([C@@H]([C@]16OC[C@@H](C(O)C6O)C)CO)[H])[H]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Trillenogenin (CHEBI:193434) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name
(1R,4R,5'S,6S,7R,8R,12S,13R,14R,16R)-3',4',14,16-tetrahydroxy-7-(hydroxymethyl)-5',13-dimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2(9),18-diene-6,2'-oxane]-3-one
Manual Xref Database
LMST01080047 LIPID MAPS
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