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4-O-feruloyl-D-quinate

MNXM166225 is deprecated and here replaced by MNXM731207
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM731207

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₇H₁₉O₉

charge

-1

mass

367.10346

reference

chebi:60078

InChIKey

VTMFDSJJVNQXLT-KSQYBWRXSA-M

InChI

InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/p-1/b5-3+/t11-,12-,15-,17+/m1/s1

SMILES

COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)[O-])C[C@H]2O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60078 chebi:60078	4-O-feruloyl-D-quinate (1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylate 4-O-feruloyl-D-quinate anion
hmdb:HMDB0240453	4-Feruloylquinic acid (1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid 4-FQA 4-Feruloylquinate 4-O-(E)-Feruloylquinic acid 4-O-Feruloylquinic acid 4-O-feruloyl-D-quinic acid O-Feruloylquinate O-Feruloylquinic acid trans-4-O-Feruloyl quinic acid trans-4-O-Feruloylquinic acid
CHEBI:18013 chebi:18013	4-O-feruloyl-D-quinic acid (1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid O-Feruloylquinate
seed.compound:cpd01683 seedM:cpd01683	O-Feruloylquinate 3-O-Feruloylquinic acid 5-O-Feruloylquinic acid O-feruloylquinate
metacyc.compound:CPD-416 metacycM:CPD-416	O-feruloylquinate
chebi:12691 chebi:21954 chebi:7685 seedM:M_cpd01683	secondary/obsolete/fantasy identifier