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CHEBI:184661 - Stoloniferone O

ChEBI IDCHEBI:184661
ChEBI NameStoloniferone O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O3
Net Charge0
Average Mass426.641
Monoisotopic Mass426.31340
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)C[C@@H](O)[C@]1([H])[C@@]3(C)C(=O)C=CC=C3[C@H](O)C[C@@]21[H]
InChIInChI=1S/C28H42O3/c1-16(2)17(3)10-11-18(4)20-12-13-21-19-14-23(29)22-8-7-9-25(31)28(22,6)26(19)24(30)15-27(20,21)5/h7-11,16-21,23-24,26,29-30H,12-15H2,1-6H3/b11-10+/t17-,18+,19-,20+,21-,23+,24+,26+,27+,28+/m0/s1
InChIKeyCGFULCPZWJDTKE-SUXWPHJKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Stoloniferone O (CHEBI:184661) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(6R,8S,9S,10R,11R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,11-dihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-one
Manual XrefsDatabases
20565223ChemSpider
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