irilone-4'-O-[beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside]

Properties Image Occurences in reactions MNX_ID MNXM105785 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C28H30O16 charge 0 mass 622.15338 reference chebi:66084 InChIKey MRXZOZKDGKQEMG-SKLZQIAYSA-N InChI InChI=1S/C28H30O16/c29-6-15-19(31)22(34)24(36)27(43-15)39-8-16-20(32)23(35)25(37)28(44-16)42-11-3-1-10(2-4-11)12-7-38-13-5-14-26(41-9-40-14)21(33)17(13)18(12)30/h1-5,7,15-16,19-20,22-25,27-29,31-37H,6,8-9H2/t15-,16-,19-,20-,22+,23+,24-,25-,27-,28-/m1/s1 SMILES O=c1c(-c2ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2)coc2cc3c(c(O)c12)OCO3

Parent-child relations graph

Deprecated MNXref IDs graph