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CHEBI:82583 - alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde

ChEBI IDCHEBI:82583
ChEBI Namealpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde
Stars
DownloadsMolfile
FormulaC17H16O8
Net Charge0
Average Mass348.307
Monoisotopic Mass348.08452
SMILESCOc1cc(O)c(C(C=O)C(O)CO)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/h4-5,8,11,19,21-22H,2-3,6H2,1H3
InChIKeyPRZJYJAOZVCBCB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde (CHEBI:82583) is a coumarins (CHEBI:23403)
alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde (CHEBI:82583) is conjugate acid of aflatoxin B1 C6a-monoaldehyde(1−) (CHEBI:233587)
Incoming Relation(s)
aflatoxin B1 C6a-monoaldehyde(1−) (CHEBI:233587) is conjugate base of alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde (CHEBI:82583)
Manual XrefsDatabases
C19592KEGG COMPOUND
HMDB0062442HMDB