Rhaunoside F

Properties Image MNX_ID MNXM118448 reference lipidmapsM:LMPK12113413 formula C22H22O12 global charge 0 mol weight 478.406 InChIKey VYKCLUAGIMQEER-IWLDQSELSA-N InChI InChI=1S/C22H22O12/c1-31-21-11(26)6-14-16(18(21)28)10(25)5-12(32-14)8-2-3-9(24)13(4-8)33-22-20(30)19(29)17(27)15(7-23)34-22/h2-6,15,17,19-20,22-24,26-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1 SMILES COC1=C(O)C=C2OC(C3=CC=C(O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3)=CC(=O)C2=C1O MNX internals InChI (mnx) InChI=1/C22H22O12/c1-31-21-11(26)6-14-16(18(21)28)10(25)5-12(32-14)8-2-3-9(24)13(4-8)33-22-20(30)19(29)17(27)15(7-23)34-22/h2-6,15,17,19-20,22-24,26-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1 SMILES (mnx) [CH3:1][O:31][C:21]1=[C:18]([OH:28])[C:16]2=[C:14]([CH:6]=[C:11]1[OH:26])[O:32][C:12]([C:8]1=[CH:4][C:13]([O:33][C@H:22]3[C@H:20]([OH:30])[C@@H:19]([OH:29])[C@H:17]([OH:27])[C@@H:15]([CH2:7][OH:23])[O:34]3)=[C:9]([OH:24])[CH:3]=[CH:2]1)=[CH:5][C:10]2=[O:25]

Parent-child relations graph

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