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4-O-Caffeoyl-3-O-feruloylquinic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM118010

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₆H₂₆O₁₂

charge

mass

530.14243

reference

hmdb:HMDB0033008

InChIKey

SDMADMBVKYOYQN-QWUBYWPLSA-N

InChI

InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-8-22(31)37-21-13-26(35,25(33)34)12-19(30)24(21)38-23(32)9-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/b8-5-,9-4-

SMILES

COc1cc(/C=C\C(=O)OC2CC(O)(C(=O)O)CC(O)C2OC(=O)/C=C\c2ccc(O)c(O)c2)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0033008	4-O-Caffeoyl-3-O-feruloylquinic acid 3-Feruloyl-4-caffeoylquinate 4-O-Caffeoyl-3-O-feruloylquinate 4-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3-dihydroxy-5-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylate 4-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3-dihydroxy-5-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
hmdb:HMDB33008	secondary/obsolete/fantasy identifier