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CHEBI:140120 - apigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside)

ChEBI IDCHEBI:140120
ChEBI Nameapigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside)
Stars
ASCII Nameapigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside)
Last Modified13 February 2018
Submittermwilliams
DownloadsMolfile
FormulaC32H28O13
Net Charge0
Average Mass620.563
Monoisotopic Mass620.15299
SMILESCC(=O)OC1[C@H](O)C(COC(=O)/C=C/c2ccc(O)cc2)O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H]1O
InChIInChI=1S/C32H28O13/c1-16(33)42-31-29(39)26(15-41-27(38)11-4-17-2-7-19(34)8-3-17)45-32(30(31)40)43-21-12-22(36)28-23(37)14-24(44-25(28)13-21)18-5-9-20(35)10-6-18/h2-14,26,29-32,34-36,39-40H,15H2,1H3/b11-4+/t26?,29-,30+,31?,32-/m1/s1
InChIKeyPDUDZEVWHZXBNE-UKVJWMKYSA-N
ChEBI Ontology
Outgoing Relation(s)
apigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside) (CHEBI:140120) is a flavonoids (CHEBI:72544)
apigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside) (CHEBI:140120) is a glycoside (CHEBI:24400)
Manual XrefsDatabases
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