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

Chemical Formula:

C₁₆H₁₇O₈

Molecular Weight:

337.305 Daltons

Monoisotopic Mass:

338.1001675546 Daltons

SMILES:

C([O-])(=O)C1(O)(CC(O)C(O)C(C1)OC(=O)C=CC2(=CC=C(O)C=C2))

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

InChIKey:

BMRSEYFENKXDIS-OTCYKTEZSA-M

Synonyms

4-coumaroylquinate
trans-(p-coumaroyl)-quinate
trans-5-O-(4-coumaroyl)quinate

Databases

MetaCyc: 4-COUMAROYLQUINATE

ChEBI: 57575

PubChem (CID): 40466964

KEGG: C12208

Seed: cpd02595

MetaNetX: MNXM2870