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CHEBI:228919 - (-)-2beta-Hydroperoxykolavelool

ChEBI IDCHEBI:228919
ChEBI Name(-)-2beta-Hydroperoxykolavelool
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILES[H][C@]12C[C@H](OO)C=C(C)[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@@](C)(O)C=C
InChIInChI=1S/C20H34O3/c1-7-18(4,21)10-11-20(6)14(2)8-9-19(5)15(3)12-16(23-22)13-17(19)20/h7,12,14,16-17,21-22H,1,8-11,13H2,2-6H3/t14-,16-,17+,18+,19+,20+/m1/s1
InChIKeyPUYKSYJUMZVGFC-QIXFSGBHSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
(-)-2beta-Hydroperoxykolavelool (CHEBI:228919) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3R)-5-[(1S,2R,4aR,7S,8aR)-7-hydroperoxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
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4476746ChemSpider