CHEBI:85087 - cis-sesquisabinene hydrate

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ChEBI Name cis-sesquisabinene hydrate
ChEBI ID CHEBI:85087
ChEBI ASCII Name cis-sesquisabinene hydrate
Definition A sesquiterpenoid that is bicyclo[3.1.0]hexane substituted by a methyl and hydroxy group at position 3 and a 2-methylhept-2-en-6-yl group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H26O
Net Charge 0
Average Mass 222.36630
Monoisotopic Mass 222.19837
InChI InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3/t12?,13?,14-,15-/m1/s1
InChIKey IRDFGGRWKUKANK-NEXFUWMNSA-N
SMILES CC(CCC=C(C)C)[C@@]12CC1[C@](C)(O)CC2
Metabolite of Species Details
Centella asiatica (NCBI:txid48106) See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing cis-sesquisabinene hydrate (CHEBI:85087) has role plant metabolite (CHEBI:76924)
cis-sesquisabinene hydrate (CHEBI:85087) is a sesquiterpenoid (CHEBI:26658)
cis-sesquisabinene hydrate (CHEBI:85087) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(2R,5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol
Registry Number Type Source
4979908 Reaxys Registry Number Reaxys
Last Modified
04 March 2015