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3-Feruloylquinic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM117581

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

formula

C₁₇H₂₀O₉

charge

mass

368.11073

reference

InChIKey

ZHBZPCLRULAFBL-HYXAFXHYSA-N

InChI

InChI=1S/C17H20O9/c1-25-12-4-2-9(6-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3-

SMILES

COc1ccc(/C=C\C(=O)OC2CC(O)(C(=O)O)CC(O)C2O)cc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0030669	3-Feruloylquinic acid (1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid 3-FQA 3-Feruloylquinate 3-Ferulylquinic acid 3-O-(E)-Feruloylquinic acid 3-O-Feruloylquinate 3-O-Feruloylquinic acid Feruloylquinic acid O-Feruloylquinate O-Feruloylquinic acid trans-3-O-Feruloyl quinic acid trans-3-O-Feruloylquinic acid
hmdb:HMDB30669	secondary/obsolete/fantasy identifier