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:
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