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2-Feruloylhydroxycitric acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM116943

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

formula

C₁₆H₁₆O₁₁

charge

mass

384.06926

reference

chebi:176361

InChIKey

QAEWENIBBUMYIB-HWKANZROSA-N

InChI

InChI=1S/C16H16O11/c1-26-10-6-8(2-4-9(10)17)3-5-12(20)27-13(14(21)22)16(25,15(23)24)7-11(18)19/h2-6,13,17,25H,7H2,1H3,(H,18,19)(H,21,22)(H,23,24)/b5-3+

SMILES

COc1cc(/C=C/C(=O)OC(C(=O)O)C(O)(CC(=O)O)C(=O)O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:176361 chebi:176361	2-Feruloylhydroxycitric acid 2-hydroxy-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid
hmdb:HMDB0040571	2-O-Feruloylhydroxycitric acid 2-Hydroxy-1-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylate 2-O-Feruloylhydroxycitrate 2-hydroxy-1-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid
hmdb:HMDB40571	secondary/obsolete/fantasy identifier