CHEBI:216804 - Aspyranochromenone A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Aspyranochromenone A
ChEBI ID CHEBI:216804
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H16O7
Net Charge 0
Average Mass 332.308
Monoisotopic Mass 332.08960
InChI InChI=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
InChIKey IMQJGYWONLMSLT-SSDOTTSWSA-N
SMILES O=C1OC2=C(O)C(O)=C(C)C(=C2C=C1C=3O[C@@H](CC(C3)=O)C)CO
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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