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CHEBI:208567 - Emeremophiline

ChEBI IDCHEBI:208567
ChEBI NameEmeremophiline
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O6
Net Charge0
Average Mass456.579
Monoisotopic Mass456.25119
SMILESC=C(COC(C)=O)C1(O)CC2(C)C(=CC1=O)C=CC(OC(=O)/C=C/C(C)=C/C(C)CC)C2C
InChIInChI=1S/C27H36O6/c1-8-17(2)13-18(3)9-12-25(30)33-23-11-10-22-14-24(29)27(31,16-26(22,7)20(23)5)19(4)15-32-21(6)28/h9-14,17,20,23,31H,4,8,15-16H2,1-3,5-7H3/b12-9+,18-13+
InChIKeyDNSSJKQHFCIVIW-HEMGCLFMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus aurantiobrunneus (ncbitaxon:41725) - PubMed (11045446)
ChEBI Ontology
Outgoing Relation(s)
Emeremophiline (CHEBI:208567) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[7-(3-acetyloxyprop-1-en-2-yl)-7-hydroxy-1,8a-dimethyl-6-oxo-2,8-dihydro-1H-naphthalen-2-yl] (2E,4E)-4,6-dimethylocta-2,4-dienoate
Manual XrefsDatabases
8179807ChemSpider