isorhamnetin 3-O-(3",6"-O-di-p-coumaroyl)-glucoside
O-di-p-coumaroyl)-glucoside" height="280 px">
Chemical Formula:
C40H34O16
Molecular Weight:
770.699 Daltons
Monoisotopic Mass:
770.1846850449999 Daltons
SMILES:
COC1(=CC(=CC=C(O)1)C2(OC6(C(C(=O)C=2OC4(OC(C(O)C(OC(=O)C=CC3(C=CC(O)=CC=3))C(O)4)COC(=O)C=CC5(C=CC(O)=CC=5)))=C(O)C=C(O)C=6)))
InChI:
1S/C40H34O16/c1-51-28-16-22(8-13-26(28)44)37-39(35(49)33-27(45)17-25(43)18-29(33)53-37)56-40-36(50)38(55-32(47)15-7-21-4-11-24(42)12-5-21)34(48)30(54-40)19-52-31(46)14-6-20-2-9-23(41)10-3-20/h2-18,30,34,36,38,40-45,48,50H,19H2,1H3/b14-6+,15-7+/t30-,34-,36-,38+,40+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14987
PubChem (CID):
90657756
MetaNetX:
MNXM114684