isorhamnetin 3-O-(3",6"-O-di-p-coumaroyl)-glucoside

Properties Image Occurences in reactions MNX_ID MNXM114684 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C40H34O16 charge 0 mass 770.18469 reference metacycM:CPD-14987 InChIKey CQKFGYQBBQNDQG-NKXGADSASA-N InChI 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 SMILES COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](OC(=O)/C=C/c3ccc(O)cc3)[C@H]2O)ccc1O

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Deprecated MNXref IDs graph