CHEBI:230703 - conicasterol c

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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 conicasterol c
ChEBI ID CHEBI:230703
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50O3
Net Charge 0
Average Mass 458.727
Monoisotopic Mass 458.37600
InChI InChI=1S/C30H50O3/c1-18(2)19(3)9-10-20(4)24-17-26(32)27-23-12-11-22-21(5)25(31)13-14-29(22,7)30(23,33-8)16-15-28(24,27)6/h18-20,22,24-26,31-32H,5,9-17H2,1-4,6-8H3/t19-,20-,22+,24-,25+,26-,28-,29+,30-/m1/s1
InChIKey ODENWPGENWWGAD-NOTXGSIUSA-N
SMILES O([C@@]12[C@@]3([C@@H](CCC1=C4[C@@]([C@H](C[C@H]4O)[C@@H](CC[C@H](C(C)C)C)C)(CC2)C)C([C@@H](O)CC3)=C)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing conicasterol c (CHEBI:230703) is a organic molecular entity (CHEBI:50860)
IUPAC Name
(3S,5S,9S,10S,13R,15R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-9-methoxy-10,13-dimethyl-4-methylidene-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
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27025469 ChemSpider
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