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CHEBI:208812 - Aspulvinone O

ChEBI IDCHEBI:208812
ChEBI NameAspulvinone O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O6
Net Charge0
Average Mass448.515
Monoisotopic Mass448.18859
SMILESCC(C)=CCc1cc(C=C2OC(=O)C(c3cc(CC=C(C)C)c(O)cc3O)=C2O)ccc1O
InChIInChI=1S/C27H28O6/c1-15(2)5-8-18-11-17(7-10-21(18)28)12-24-26(31)25(27(32)33-24)20-13-19(9-6-16(3)4)22(29)14-23(20)30/h5-7,10-14,28-31H,8-9H2,1-4H3
InChIKeyIAHWCROWFXOMDG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces variotii (ncbitaxon:264951) - DOI (10.1016/j.phytol.2014.11.014)
ChEBI Ontology
Outgoing Relation(s)
Aspulvinone O (CHEBI:208812) is a resorcinols (CHEBI:33572)
IUPAC Name 
3-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-4-hydroxy-5-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methylidene]uran-2-one
Manual XrefsDatabases
78435902ChemSpider