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CHEBI:229919 - (6e)-5-hydroxy-4-{[(1r,2s,5s)-2-hydroxy-5-isopropenyl-2-methylcyclopentyl]methyl}-6-[hydroxy(phenyl)methylene]-2,2-bis(3-methyl-2-buten-1-yl)-4-cyclohexene-1,3-dione

ChEBI IDCHEBI:229919
ChEBI Name(6e)-5-hydroxy-4-{[(1r,2s,5s)-2-hydroxy-5-isopropenyl-2-methylcyclopentyl]methyl}-6-[hydroxy(phenyl)methylene]-2,2-bis(3-methyl-2-buten-1-yl)-4-cyclohexene-1,3-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H42O5
Net Charge0
Average Mass518.694
Monoisotopic Mass518.30322
SMILESC=C(C)[C@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)/C(=C(\O)c2ccccc2)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O
InChIInChI=1S/C33H42O5/c1-20(2)13-17-33(18-14-21(3)4)30(36)25(19-26-24(22(5)6)15-16-32(26,7)38)29(35)27(31(33)37)28(34)23-11-9-8-10-12-23/h8-14,24,26,34-35,38H,5,15-19H2,1-4,6-7H3/b28-27+/t24-,26-,32+/m1/s1
InChIKeyXMVYTWVWYJLUHK-LHHMKPCHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
(6e)-5-hydroxy-4-{[(1r,2s,5s)-2-hydroxy-5-isopropenyl-2-methylcyclopentyl]methyl}-6-[hydroxy(phenyl)methylene]-2,2-bis(3-methyl-2-buten-1-yl)-4-cyclohexene-1,3-dione (CHEBI:229919) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(6E)-5-hydroxy-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-6-[hydroxy(phenyl)methylidene]-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
Manual XrefsDatabases
C09941KEGG COMPOUND
4444886ChemSpider