(Q27124929)

trans-5-O-(4-Coumaroyl)shikimate (English)

6 October 2016

chemical formula

C₁₆H₁₅O₇⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1C(C(C(C=C1C(=O)[O-])O)O)OC(=O)C=CC2=CC=C(C=C2)O

1 reference

trans-5-O-(4-Coumaroyl)shikimate (English)

6 October 2016

isomeric SMILES

C1[C@H]([C@@H]([C@@H](C=C1C(=O)[O-])O)O)OC(=O)/C=C/C2=CC=C(C=C2)O

1 reference

trans-5-O-(4-Coumaroyl)shikimate (English)

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

6 October 2016

Identifiers

InChI

1 reference

trans-5-O-(4-Coumaroyl)shikimate (English)

GVECSFFLZYNEBO-PDXJTRCTSA-M

6 October 2016

InChIKey

2 references

trans-5-O-(4-Coumaroyl)shikimate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3R,4R,5R)-3,4-Dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-1-cyclohexene-1-carboxylate (English)

6 October 2016

1 reference

trans-5-O-(4-Coumaroyl)shikimate (English)

6 October 2016

ChEBI ID

57768

mapping relation type

1 reference