dalpatein beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside

Properties Image MNX_ID MNXM48723 reference chebi:55467 formula C29H32O16 global charge 0 mol weight 636.559 InChIKey KAZTVTFKDLJVBH-PNJBZCJOSA-N InChI InChI=1S/C29H32O16/c1-37-15-5-19-18(42-11-43-19)3-12(15)14-7-39-16-6-20(17(38-2)4-13(16)22(14)31)44-27-25(34)24(33)23(32)21(45-27)8-40-28-26(35)29(36,9-30)10-41-28/h3-7,21,23-28,30,32-36H,8-11H2,1-2H3/t21-,23-,24+,25-,26+,27-,28-,29-/m1/s1 SMILES COC1=CC2=C(C=C1C1=COC3=CC(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=C(OC)C=C3C1=O)OCO2 MNX internals InChI (mnx) InChI=1/C29H32O16/c1-37-15-5-19-18(42-11-43-19)3-12(15)14-7-39-16-6-20(17(38-2)4-13(16)22(14)31)44-27-25(34)24(33)23(32)21(45-27)8-40-28-26(35)29(36,9-30)10-41-28/h3-7,21,23-28,30,32-36H,8-11H2,1-2H3/t21-,23-,24+,25-,26+,27-,28-,29-/m1/s1 SMILES (mnx) [CH3:1][O:37][C:15]1=[CH:5][C:19]2=[C:18]([CH:3]=[C:12]1[C:14]1=[CH:7][O:39][C:16]3=[CH:6][C:20]([O:44][C@H:27]4[C@H:25]([OH:34])[C@@H:24]([OH:33])[C@H:23]([OH:32])[C@@H:21]([CH2:8][O:40][C@H:28]5[C@H:26]([OH:35])[C@:29]([CH2:9][OH:30])([OH:36])[CH2:10][O:41]5)[O:45]4)=[C:17]([O:38][CH3:2])[CH:4]=[C:13]3[C:22]1=[O:31])[O:42][CH2:11][O:43]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0