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CHEBI:156237 - phomopsene

ChEBI IDCHEBI:156237
ChEBI Namephomopsene
Stars
DefinitionA tetracyclic diterpene that is (6aS,6bR,10aR)-1,2,3,5,6,6a,6b,7,8,9,9a,10-dodecahydrodicyclopenta[a,d]indene substituted by methyl groups at positions 1, 4, 7, 7 and 9a, respectively.
Last Modified28 July 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@@]12CCC(C)=C3CC[C@H](C)[C@]31C[C@@]1(C)CCC(C)(C)[C@]12[H]
InChIInChI=1S/C20H32/c1-13-6-8-16-17-18(3,4)10-11-19(17,5)12-20(16)14(2)7-9-15(13)20/h14,16-17H,6-12H2,1-5H3/t14-,16-,17+,19+,20+/m0/s1
InChIKeyWFXPJSKWJXCYJM-TWRRNRRFSA-N
Species of MetaboliteComponentSourceComments
Phomopsis amygdali (ncbitaxon:1214568) - PubMed (19161275)
Allokutzneria albata (ncbitaxon:211114) - PubMed (29758116)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
phomopsene (CHEBI:156237) has role fungal metabolite (CHEBI:76946)
phomopsene (CHEBI:156237) is a diterpene (CHEBI:35190)
phomopsene (CHEBI:156237) is a polycyclic olefin (CHEBI:35714)
IUPAC Name 
(1S,6aS,6bR,9aR,10aS)-1,4,7,7,9a-pentamethyl-1,2,3,5,6,6a,6b,7,8,9,9a,10-dodecahydrodicyclopenta[a,d]indene
UniProt Name  Source
phomopseneUniProt
Manual XrefsDatabases
CPD-18470MetaCyc
Citations