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CHEBI:216746 - Aspulvinone S

ChEBI IDCHEBI:216746
ChEBI NameAspulvinone S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O6
Net Charge0
Average Mass448.515
Monoisotopic Mass448.18859
SMILESCC(C)=CCc1cc(C2=C(O)C(=Cc3ccc4c(c3)CCC(C)(C)O4)OC2=O)c(O)cc1O
InChIInChI=1S/C27H28O6/c1-15(2)5-7-17-13-19(21(29)14-20(17)28)24-25(30)23(32-26(24)31)12-16-6-8-22-18(11-16)9-10-27(3,4)33-22/h5-6,8,11-14,28-30H,7,9-10H2,1-4H3
InChIKeyWUYHTTLNJRCPHA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2020.131496)
ChEBI Ontology
Outgoing Relation(s)
Aspulvinone S (CHEBI:216746) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
3-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-4-hydroxyuran-2-one