Mulberroside F

Properties Image MNX_ID MNXM128215 reference chebi:169030 formula C26H30O14 global charge 0 mol weight 566.512 InChIKey YPMOTUXWPXDQDJ-PCIRLDFKSA-N InChI InChI=1S/C26H30O14/c27-8-17-19(30)21(32)23(34)25(39-17)36-13-2-1-10-5-15(38-16(10)7-13)11-3-12(29)6-14(4-11)37-26-24(35)22(33)20(31)18(9-28)40-26/h1-7,17-35H,8-9H2/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1 SMILES OC[C@H]1O[C@@H](OC2=CC=C3C=C(C4=CC(O)=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C26H30O14/c27-8-17-19(30)21(32)23(34)25(39-17)36-13-2-1-10-5-15(38-16(10)7-13)11-3-12(29)6-14(4-11)37-26-24(35)22(33)20(31)18(9-28)40-26/h1-7,17-35H,8-9H2/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:13]([O:36][C@H:25]2[C@H:23]([OH:34])[C@@H:21]([OH:32])[C@H:19]([OH:30])[C@@H:17]([CH2:8][OH:27])[O:39]2)=[CH:7][C:16]2=[C:10]1[CH:5]=[C:15]([C:11]1=[CH:3][C:12]([OH:29])=[CH:6][C:14]([O:37][C@H:26]3[C@H:24]([OH:35])[C@@H:22]([OH:33])[C@H:20]([OH:31])[C@@H:18]([CH2:9][OH:28])[O:40]3)=[CH:4]1)[O:38]2

Parent-child relations graph

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