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CHEBI:206161 - Flavipesolide A

ChEBI IDCHEBI:206161
ChEBI NameFlavipesolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O7
Net Charge0
Average Mass438.476
Monoisotopic Mass438.16785
SMILESCCOC(=O)[C@@]1(O)OC(=O)C(Cc2ccc3c(c2)CCC(C)(C)O3)=C1c1ccc(O)cc1
InChIInChI=1S/C25H26O7/c1-4-30-23(28)25(29)21(16-6-8-18(26)9-7-16)19(22(27)32-25)14-15-5-10-20-17(13-15)11-12-24(2,3)31-20/h5-10,13,26,29H,4,11-12,14H2,1-3H3/t25-/m0/s1
InChIKeyRPTKQXGWCRHIGJ-VWLOTQADSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27933892)
ChEBI Ontology
Outgoing Relation(s)
Flavipesolide A (CHEBI:206161) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
ethyl (2S)-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-hydroxy-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
61506259ChemSpider