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CHEBI:166635 - Patuletin 3-(6''-(E)-feruloylglucoside)

ChEBI IDCHEBI:166635
ChEBI NamePatuletin 3-(6''-(E)-feruloylglucoside)
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FormulaC32H30O16
Net Charge0
Average Mass670.576
Monoisotopic Mass670.15338
SMILESCOc1cc(/C=C/C(=O)OCC2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)c(OC)c(O)c4c3=O)C(O)[C@@H](O)[C@@H]2O)ccc1O
InChIInChI=1S/C32H30O16/c1-43-19-9-13(3-6-16(19)34)4-8-22(37)45-12-21-24(38)27(41)28(42)32(47-21)48-31-26(40)23-20(11-18(36)30(44-2)25(23)39)46-29(31)14-5-7-15(33)17(35)10-14/h3-11,21,24,27-28,32-36,38-39,41-42H,12H2,1-2H3/b8-4+/t21?,24-,27+,28?,32+/m1/s1
InChIKeyZULMKQMCPUKDTD-YSUZLIATSA-N
ChEBI Ontology
Outgoing Relation(s)
Patuletin 3-(6''-(E)-feruloylglucoside) (CHEBI:166635) is a flavonoid (CHEBI:47916)
Patuletin 3-(6''-(E)-feruloylglucoside) (CHEBI:166635) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
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