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CHEBI:226417 - Fascicularone A

ChEBI IDCHEBI:226417
ChEBI NameFascicularone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESC[C@H]1C2=C(C(=O)[C@H](O)[C@H]1O)[C@H]1CC(C)(C)[C@H]1[C@@H]2O
InChIInChI=1S/C14H20O4/c1-5-7-8(12(17)13(18)10(5)15)6-4-14(2,3)9(6)11(7)16/h5-6,9-11,13,15-16,18H,4H2,1-3H3/t5-,6+,9+,10-,11+,13+/m0/s1
InChIKeyPIWPHUKZKLFPOJ-AHPXUNCLSA-N
Species of MetaboliteComponentSourceComments
Hypholoma fasciculare (ncbitaxon:72129) - PubMed (14759547)
ChEBI Ontology
Outgoing Relation(s)
Fascicularone A (CHEBI:226417) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2aS,4R,5S,6S,7S,7aS)-4,5,7-trihydroxy-1,1,6-trimethyl-2a,4,5,6,7,7a-hexahydro-2H-cyclobuta[a]inden-3-one
Manual XrefsDatabases
78437807ChemSpider