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

ChEBI IDCHEBI:82582
ChEBI Name1,2,3,4-Tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal
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DownloadsMolfile
FormulaC17H16O8
Net Charge0
Average Mass348.307
Monoisotopic Mass348.08452
SMILESCOc1cc(O)c(C(CO)C(O)C=O)c2oc(=O)c3c(c12)CCC3=O
InChIInChI=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
InChIKeyXSQLDUBMTHWWOR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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)
1,2,3,4-Tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal (CHEBI:82582) is conjugate acid of aflatoxin B1 C8-monoaldehyde(1−) (CHEBI:233588)
Incoming Relation(s)
aflatoxin B1 C8-monoaldehyde(1−) (CHEBI:233588) is conjugate base of 1,2,3,4-Tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal (CHEBI:82582)
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C19591KEGG COMPOUND