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CHEBI:231204 - CG 4305

ChEBI IDCHEBI:231204
ChEBI NameCG 4305
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O4
Net Charge0
Average Mass396.527
Monoisotopic Mass396.23006
SMILESO=C(O)c1cccc(/C=C2\C[C@H]3C[C@@H](O)[C@H](/C=C/[C@@H](O)C4CCCCC4)[C@H]3C2)c1
InChIInChI=1S/C25H32O4/c26-23(18-6-2-1-3-7-18)10-9-21-22-14-17(13-20(22)15-24(21)27)11-16-5-4-8-19(12-16)25(28)29/h4-5,8-12,18,20-24,26-27H,1-3,6-7,13-15H2,(H,28,29)/b10-9+,17-11+/t20-,21+,22-,23+,24+/m0/s1
InChIKeyOINUMRGCICIETD-CGKNXJIZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
CG 4305 (CHEBI:231204) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3-[(E)-[(3aS,4R,5R,6aS)-4-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]methyl]benzoic acid
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