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CHEBI:85087 - cis-sesquisabinene hydrate

ChEBI IDCHEBI:85087
ChEBI Namecis-sesquisabinene hydrate
Stars
ASCII Namecis-sesquisabinene hydrate
DefinitionA 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.
Last Modified4 March 2015
Submitternamrata
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILESCC(C)=CCCC(C)[C@]12CC[C@@](C)(O)C1C2
InChIInChI=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
InChIKeyIRDFGGRWKUKANK-NEXFUWMNSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:4979908Reaxys