quercetin 3-O-(3"-O-p-coumaroyl, 6"-O-feruloyl)-glucoside
O-p-coumaroyl, 6"-O-feruloyl)-glucoside" height="280 px">
Chemical Formula:
C40H34O17
Molecular Weight:
786.698 Daltons
Monoisotopic Mass:
786.1795996671 Daltons
SMILES:
COC6(C=C(C=CC(OCC5(OC(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=C(O)C(O)=CC=2))=3)))C(O)C(OC(=O)C=CC4(C=CC(O)=CC=4))C(O)5))=O)C=CC(O)=6)
InChI:
1S/C40H34O17/c1-52-28-14-20(4-10-25(28)44)6-12-31(47)53-18-30-34(49)38(56-32(48)13-5-19-2-8-22(41)9-3-19)36(51)40(55-30)57-39-35(50)33-27(46)16-23(42)17-29(33)54-37(39)21-7-11-24(43)26(45)15-21/h2-17,30,34,36,38,40-46,49,51H,18H2,1H3/b12-6+,13-5+/t30-,34-,36-,38+,40+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14986
PubChem (CID):
90659023
MetaNetX:
MNXM114720