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trans-5-O-(4-coumaroyl)-D-quinate

Properties

Image

Occurences in reactions

MNX_ID

MNXM733481

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	0

formula

C₁₆H₁₇O₈

charge

-1

mass

337.09289

reference

chebi:57575

InChIKey

BMRSEYFENKXDIS-OTCYKTEZSA-M

InChI

InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/p-1/b6-3+/t11-,12-,14-,16+/m1/s1

SMILES

O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)[O-])C[C@@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57575 chebi:57575	trans-5-O-(4-coumaroyl)-D-quinate (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexanecarboxylate
sabiork.compound:14242 sabiorkM:14242	p-Coumaroyl quinic acid 4-Coumaroylquinate
seed.compound:cpd02595 seedM:cpd02595	p-Coumaroyl quinic acid 4-coumaroylquinate trans-(p-coumaroyl)-quinate trans-5-O-(4-Coumaroyl)-D-quinate trans-5-O-(4-coumaroyl)-D-quinate trans-5-O-(4-coumaroyl)quinate
kegg.compound:C12208 keggC:C12208	p-Coumaroyl quinic acid trans-5-O-(4-Coumaroyl)-D-quinate
sabiork.compound:7164 sabiorkM:7164	trans-5-O-(4-Coumaroyl)-D-quinate
metacyc.compound:4-COUMAROYLQUINATE metacycM:4-COUMAROYLQUINATE	trans-5-O-(4-coumaroyl)-D-quinate 4-coumaroylquinate trans-(p-coumaroyl)-quinate trans-5-O-(4-coumaroyl)quinate
CHEBI:15937 chebi:15937	trans-5-O-(4-coumaroyl)-D-quinic acid (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexanecarboxylic acid p-Coumaroyl quinic acid trans-5-O-(4-Coumaroyl)-D-quinate trans-5-O-(4-coumaroyl)-D-quinate
chebi:10716 chebi:12866 chebi:27063 chebi:32351 keggC:M_C12208 seedM:M_cpd02595	secondary/obsolete/fantasy identifier