Peonidin 3-glucoside-5-(6''-acetylglucoside)

Properties Image MNX_ID MNXM25280 reference lipidmapsM:LMPK12010260 formula C30H35O17 global charge 1 mol weight 667.593 InChIKey VVZKXWGDULSESF-FYBHVKCMSA-O InChI InChI=1S/C30H34O17/c1-11(32)42-10-21-23(36)25(38)27(40)29(47-21)44-17-7-13(33)6-16-14(17)8-19(28(43-16)12-3-4-15(34)18(5-12)41-2)45-30-26(39)24(37)22(35)20(9-31)46-30/h3-8,20-27,29-31,35-40H,9-10H2,1-2H3,(H-,33,34)/p+1/t20-,21-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1 SMILES COC1=CC(C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C3C(O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)=CC=C1O MNX internals InChI (mnx) InChI=1/C30H34O17/c1-11(32)42-10-21-23(36)25(38)27(40)29(47-21)44-17-7-13(33)6-16-14(17)8-19(28(43-16)12-3-4-15(34)18(5-12)41-2)45-30-26(39)24(37)22(35)20(9-31)46-30/h3-8,20-27,29-31,35-40H,9-10H2,1-2H3,(H-,33,34)/t20-,21-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1 SMILES (mnx) [CH3:1][C:11](=[O:32])[O:42][CH2:10][C@@H:21]1[C@@H:23]([OH:36])[C@H:25]([OH:38])[C@@H:27]([OH:40])[C@H:29]([O:44][C:17]2=[CH:7][C:13]([OH:33])=[CH:6][C:16]3=[C:14]2[CH:8]=[C:19]([O:45][C@H:30]2[C@H:26]([OH:39])[C@@H:24]([OH:37])[C@H:22]([OH:35])[C@@H:20]([CH2:9][OH:31])[O:46]2)[C:28]([C:12]2=[CH:5][C:18]([O:41][CH3:2])=[C:15]([O-:34])[CH:4]=[CH:3]2)=[O+:43]3)[O:47]1

Parent-child relations graph

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