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CHEBI:230972 - (1R,3S,5Z)-5-[(2Z)-2-[(1R,3Ar,7aS)-1-[(2S)-1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Default Structure
ChEBI IDCHEBI:230972
ChEBI Name(1R,3S,5Z)-5-[(2Z)-2-[(1R,3Ar,7aS)-1-[(2S)-1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44O4
Net Charge0
Average Mass480.689
Monoisotopic Mass480.32396
SMILESC=C1/C(=C\C=C2/CCCC3(C)C2CCC3C(C)COc2cccc(C(C)(C)O)c2)CC(O)CC1O
InChIInChI=1S/C31H44O4/c1-20(19-35-26-10-6-9-24(17-26)30(3,4)34)27-13-14-28-22(8-7-15-31(27,28)5)11-12-23-16-25(32)18-29(33)21(23)2/h6,9-12,17,20,25,27-29,32-34H,2,7-8,13-16,18-19H2,1,3-5H3/b22-11+,23-12-
InChIKeyVGFVBXSHQJLSKO-BJLCGXAESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
(1R,3S,5Z)-5-[(2Z)-2-[(1R,3Ar,7aS)-1-[(2S)-1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol (CHEBI:230972) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(5Z)-5-[(2E)-2-[1-[1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol