trans-5-O-(4-coumaroyl)shikimate

Chemical Formula:

C₁₆H₁₅O₇

Molecular Weight:

319.29 Daltons

Monoisotopic Mass:

320.0896028683 Daltons

SMILES:

C(OC1(C(O)C(O)C=C(C([O-])=O)C1))(=O)C=CC2(C=CC(O)=CC=2)

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

InChIKey:

GVECSFFLZYNEBO-PDXJTRCTSA-M

Synonyms

Databases

MetaCyc: CPD-412

ChEBI: 57768

PubChem (CID): 25245116

KEGG: C02947

Seed: cpd01890

MetaNetX: MNXM2787