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

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ChEBI Name apigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside)
ChEBI ID CHEBI:140120
ChEBI ASCII Name apigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside)
Stars This entity has been manually annotated by a third party.
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Formula C32H28O13
Net Charge 0
Average Mass 620.558
Monoisotopic Mass 620.15299
InChI InChI=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
InChIKey PDUDZEVWHZXBNE-UKVJWMKYSA-N
SMILES C1(=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)O[C@H]4[C@H](C([C@@H](C(O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)OC(=O)C)O
ChEBI Ontology
Outgoing 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 Xref Database
LMPK12110403 LIPID MAPS
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Last Modified
13 February 2018