CHEBI:82582 - 1,2,3,4-Tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2,3,4-Tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal
ChEBI ID CHEBI:82582
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H16O8
Net Charge 0
Average Mass 348.30410
Monoisotopic Mass 348.08452
InChI InChI=1S/C17H16O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4,6,8,11,18,21-22H,2-3,5H2,1H3
InChIKey XSQLDUBMTHWWOR-UHFFFAOYSA-N
SMILES COc1cc(O)c(C(CO)C(O)C=O)c2oc(=O)c3C(=O)CCc3c12
ChEBI Ontology
Outgoing 1,2,3,4-Tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal (CHEBI:82582) is a coumarins (CHEBI:23403)
Manual Xref Database
C19591 KEGG COMPOUND
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