Rhamnazin 3-sophoroside

Properties Image MNX_ID MNXM130286 reference chebi:191811 formula C29H34O17 global charge 0 mol weight 654.574 InChIKey WPIJGCCJUFCJAE-UHFFFAOYSA-N InChI InChI=1S/C29H34O17/c1-40-11-6-13(33)18-15(7-11)42-25(10-3-4-12(32)14(5-10)41-2)26(21(18)36)45-29-27(23(38)20(35)17(9-31)44-29)46-28-24(39)22(37)19(34)16(8-30)43-28/h3-7,16-17,19-20,22-24,27-35,37-39H,8-9H2,1-2H3 SMILES COC1=CC2=C(C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(OC)=C(O)C=C3)O2)C(O)=C1 MNX internals InChI (mnx) InChI=1/C29H34O17/c1-40-11-6-13(33)18-15(7-11)42-25(10-3-4-12(32)14(5-10)41-2)26(21(18)36)45-29-27(23(38)20(35)17(9-31)44-29)46-28-24(39)22(37)19(34)16(8-30)43-28/h3-7,16-17,19-20,22-24,27-35,37-39H,8-9H2,1-2H3/t16?,17?,19?,20?,22?,23?,24?,27?,28?,29? SMILES (mnx) [CH3:1][O:40][C:11]1=[CH:6][C:13]([OH:33])=[C:18]2[C:15](=[CH:7]1)[O:42][C:25]([C:10]1=[CH:5][C:14]([O:41][CH3:2])=[C:12]([OH:32])[CH:4]=[CH:3]1)=[C:26]([O:45][CH:29]1[CH:27]([O:46][CH:28]3[CH:24]([OH:39])[CH:22]([OH:37])[CH:19]([OH:34])[CH:16]([CH2:8][OH:30])[O:43]3)[CH:23]([OH:38])[CH:20]([OH:35])[CH:17]([CH2:9][OH:31])[O:44]1)[C:21]2=[O:36]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0