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trans-4-coumaroylshikimate

Properties

Image

Occurences in reactions

MNX_ID

MNXM2787

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	1

formula

C₁₆H₁₅O₇

charge

-1

mass

319.08233

reference

chebi:57768

InChIKey

GVECSFFLZYNEBO-PDXJTRCTSA-M

InChI

InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-7,12-13,15,17-18,20H,8H2,(H,21,22)/p-1/b6-3+/t12-,13-,15-/m1/s1

SMILES

O=C(/C=C/c1ccc(O)cc1)O[C@@H]1CC(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:57768 chebi:57768	trans-4-coumaroylshikimate (3R,4R,5R)-3,4-dihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohex-1-ene-1-carboxylate 4-coumaroylshikimate 4-coumaroylshikimate anion 4-coumaroylshikimate(1-)
seed.compound:cpd01890 seedM:cpd01890	4-Coumaroylshikimate 4-coumaroylshikimate trans-(p-coumaroyl)-shikimate trans-5-O-(4-Coumaroyl)shikimate trans-5-O-(4-coumaroyl)shikimate
sabiork.compound:6396 sabiorkM:6396 kegg.compound:C02947 keggC:C02947	4-Coumaroylshikimate trans-5-O-(4-Coumaroyl)shikimate
CHEBI:16428 chebi:16428	4-coumaroylshikimic acid (3R,4R,5R)-3,4-dihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohex-1-ene-1-carboxylic acid 4-Coumaroylshikimate trans-5-O-(4-Coumaroyl)shikimate trans-5-O-(4-coumaroyl)shikimate
metacyc.compound:CPD-412 metacycM:CPD-412	trans-5-O-(4-coumaroyl)shikimate 4-coumaroylshikimate trans-(p-coumaroyl)-shikimate
chebi:11980 chebi:1814 chebi:20350 keggC:M_C02947 seedM:M_cpd01890	secondary/obsolete/fantasy identifier