CHEBI:228920 - (-)-2beta-Hydroxykolavelool

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (-)-2beta-Hydroxykolavelool
ChEBI ID CHEBI:228920
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O2
Net Charge 0
Average Mass 306.490
Monoisotopic Mass 306.25588
InChI InChI=1S/C20H34O2/c1-7-18(4,22)10-11-20(6)14(2)8-9-19(5)15(3)12-16(21)13-17(19)20/h7,12,14,16-17,21-22H,1,8-11,13H2,2-6H3/t14-,16-,17+,18+,19+,20+/m1/s1
InChIKey YBIQUOCNAHKKPT-QIXFSGBHSA-N
SMILES 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-Hydroxykolavelool (CHEBI:228920) is a diterpenoid (CHEBI:23849)
IUPAC Name
(2S,4aR,7R,8S,8aR)-8-[(3R)-3-hydroxy-3-methylpent-4-enyl]-4,4a,7,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol
Manual Xref Database
4476852 ChemSpider
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