CHEBI:197246 - 6-Valerene-11-ol

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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 6-Valerene-11-ol
ChEBI ID CHEBI:197246
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H26O
Net Charge 0
Average Mass 222.372
Monoisotopic Mass 222.19837
InChI InChI=1S/C15H26O/c1-10-5-7-12(9-15(3,4)16)14-11(2)6-8-13(10)14/h9-11,13-14,16H,5-8H2,1-4H3/b12-9+/t10-,11-,13+,14-/m0/s1
InChIKey IYMKPZYUEJPWPC-ULKFAFIRSA-N
SMILES OC(\C=C/1\[C@]2([C@@]([C@H](CC1)C)(CC[C@@H]2C)[H])[H])(C)C
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing 6-Valerene-11-ol (CHEBI:197246) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(1E)-1-[(3S,3aR,7S,7aR)-3,7-dimethyl-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]-2-methylpropan-2-ol
Manual Xref Database
24846715 ChemSpider
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