O-feruloylquinate
Chemical Formula:
C17H19O9
Molecular Weight:
367.332 Daltons
Monoisotopic Mass:
368.1107322409 Daltons
SMILES:
COC1(C(=CC=C(C=1)C=CC(OC2(C(CC(CC2O)(C([O-])=O)O)O))=O)O)
InChI:
1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/p-1/b5-3+/t11-,12?,15-,17+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-416
ChEBI:
18013
PubChem (CID):
25244040
KEGG:
C02572
Seed:
cpd01683
MetaNetX:
MNXM166225