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CHEBI:228948 - 13-Epi-2-oxo-kolavelool

ChEBI IDCHEBI:228948
ChEBI Name13-Epi-2-oxo-kolavelool
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O2
Net Charge0
Average Mass304.474
Monoisotopic Mass304.24023
SMILES[H][C@]12CC(=O)C=C(C)[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@@](C)(O)C=C
InChIInChI=1S/C20H32O2/c1-7-18(4,22)10-11-20(6)14(2)8-9-19(5)15(3)12-16(21)13-17(19)20/h7,12,14,17,22H,1,8-11,13H2,2-6H3/t14-,17+,18+,19+,20+/m1/s1
InChIKeyKARUSPOBGJZEMI-SSRYDLFMSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
13-Epi-2-oxo-kolavelool (CHEBI:228948) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4aR,7R,8S,8aR)-8-[(3R)-3-hydroxy-3-methylpent-4-enyl]-4,4a,7,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
Manual XrefsDatabases
4476014ChemSpider