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CHEBI:216804 - Aspyranochromenone A

ChEBI IDCHEBI:216804
ChEBI NameAspyranochromenone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O7
Net Charge0
Average Mass332.308
Monoisotopic Mass332.08960
SMILESCc1c(O)c(O)c2oc(=O)c(C3=CC(=O)C[C@@H](C)O3)cc2c1CO
InChIInChI=1S/C17H16O7/c1-7-3-9(19)4-13(23-7)11-5-10-12(6-18)8(2)14(20)15(21)16(10)24-17(11)22/h4-5,7,18,20-21H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyIMQJGYWONLMSLT-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (33716326)
ChEBI Ontology
Outgoing Relation(s)
Aspyranochromenone A (CHEBI:216804) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
7,8-dihydroxy-5-(hydroxymethyl)-6-methyl-3-[(2R)-2-methyl-4-oxo-2,3-dihydropyran-6-yl]chromen-2-one