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CHEBI:222877 - Aspulvinone B1

ChEBI IDCHEBI:222877
ChEBI NameAspulvinone B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H26O6
Net Charge0
Average Mass446.499
Monoisotopic Mass446.17294
SMILESCC(C)=CCc1cc(C=C2OC(=O)C(c3cc4c(cc3O)OC(C)(C)C=C4)=C2O)ccc1O
InChIInChI=1S/C27H26O6/c1-15(2)5-7-17-11-16(6-8-20(17)28)12-23-25(30)24(26(31)32-23)19-13-18-9-10-27(3,4)33-22(18)14-21(19)29/h5-6,8-14,28-30H,7H2,1-4H3
InChIKeyQXXCYCUAQNPKBB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (23841722)
ChEBI Ontology
Outgoing Relation(s)
Aspulvinone B1 (CHEBI:222877) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
4-hydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-5-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methylidene]uran-2-one