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CHEBI:137536 - (+)-corvol ether B

ChEBI IDCHEBI:137536
ChEBI Name(+)-corvol ether B
Stars
DefinitionA tricyclic sesquiterpenoid with formula C15H26O which is biosynthesised from farnesyl diphosphate by a sesquiterpene cyclase enzyme from Kitasatospora setae.
Last Modified22 August 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILES[H][C@@]1(C(C)C)O[C@]2(C)CC[C@]3([H])[C@@H](C)CC[C@]13C2
InChIInChI=1S/C15H26O/c1-10(2)13-15-8-5-11(3)12(15)6-7-14(4,9-15)16-13/h10-13H,5-9H2,1-4H3/t11-,12+,13-,14+,15+/m0/s1
InChIKeySWPWNLQMJDQTRD-XPABHHOTSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-corvol ether B (CHEBI:137536) is a cyclic ether (CHEBI:37407)
(+)-corvol ether B (CHEBI:137536) is a organic heterotricyclic compound (CHEBI:26979)
(+)-corvol ether B (CHEBI:137536) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3R,5aR,6S,8aR)-3,6-dimethyl-1-(propan-2-yl)hexahydro-1H,3H-3,8a-methanocyclopenta[c]oxepine
UniProt Name  Source
(+)-corvol ether BUniProt
Manual XrefsDatabases
CPD-20083MetaCyc
Registry NumbersSources
Reaxys:30270132Reaxys
Citations