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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name (-)-2beta-Hydroperoxykolavelool
ChEBI ID CHEBI:228919
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O3
Net Charge 0
Average Mass 322.489
Monoisotopic Mass 322.25079
InChI InChI=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
InChIKey PUYKSYJUMZVGFC-QIXFSGBHSA-N
SMILES O(O)[C@H]1C[C@@]2([C@]([C@@H](CC[C@]2(C(=C1)C)C)C)(CC[C@](O)(C)C=C)C)[H]
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing (-)-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
Manual Xref Database
4476746 ChemSpider
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