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CHEBI:182577 - Isonerylgeraniol-18-oic acid

ChEBI IDCHEBI:182577
ChEBI NameIsonerylgeraniol-18-oic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESCC(C)=CCC/C(=C/CC/C(C)=C/CC/C(C)=C/CO)C(=O)O
InChIInChI=1S/C20H32O3/c1-16(2)8-5-12-19(20(22)23)13-7-11-17(3)9-6-10-18(4)14-15-21/h8-9,13-14,21H,5-7,10-12,15H2,1-4H3,(H,22,23)/b17-9+,18-14+,19-13-
InChIKeyUSXGDFAHMRCBBX-AGZUIYMTSA-N
ChEBI Ontology
Outgoing Relation(s)
Isonerylgeraniol-18-oic acid (CHEBI:182577) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2Z,6E,10E)-12-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid
Manual XrefsDatabases
9407503ChemSpider