2,3-O-digalloyl-1,4,6-tri-O-beta-D-galloylglucose

Properties Image Occurences in reactions MNX_ID MNXM14128 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C55H40O34 charge 0 mass 1244.1401 reference metacycM:CPD-8955 InChIKey CWFXJAOBRIWZTE-YIVDHKKMSA-N InChI InChI=1S/C55H40O34/c56-23-1-16(2-24(57)38(23)68)48(75)82-15-37-45(86-51(78)19-7-29(62)41(71)30(63)8-19)46(87-52(79)21-11-33(66)43(73)35(13-21)83-49(76)17-3-25(58)39(69)26(59)4-17)47(55(85-37)89-54(81)20-9-31(64)42(72)32(65)10-20)88-53(80)22-12-34(67)44(74)36(14-22)84-50(77)18-5-27(60)40(70)28(61)6-18/h1-14,37,45-47,55-74H,15H2/t37-,45-,46+,47-,55+/m1/s1 SMILES O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph