5,2',4'-Trihydroxy-3,7,5'-trimethoxyflavone 2'-galactosyl-(1->4)-glucoside

Properties Image MNX_ID MNXM26760 reference lipidmapsM:LMPK12112737 formula C30H36O18 global charge 0 mol weight 684.6 InChIKey SFBFBTDIDWLYBW-NMMFRIIKSA-N InChI InChI=1S/C30H36O18/c1-41-10-4-13(34)19-16(5-10)44-26(28(43-3)21(19)36)11-6-15(42-2)12(33)7-14(11)45-29-25(40)23(38)27(18(9-32)47-29)48-30-24(39)22(37)20(35)17(8-31)46-30/h4-7,17-18,20,22-25,27,29-35,37-40H,8-9H2,1-3H3/t17-,18-,20+,22+,23-,24-,25-,27-,29-,30+/m1/s1 SMILES COC1=CC(O)=C2C(=O)C(OC)=C(C3=CC(OC)=C(O)C=C3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)OC2=C1 MNX internals InChI (mnx) InChI=1/C30H36O18/c1-41-10-4-13(34)19-16(5-10)44-26(28(43-3)21(19)36)11-6-15(42-2)12(33)7-14(11)45-29-25(40)23(38)27(18(9-32)47-29)48-30-24(39)22(37)20(35)17(8-31)46-30/h4-7,17-18,20,22-25,27,29-35,37-40H,8-9H2,1-3H3/t17-,18-,20+,22+,23-,24-,25-,27-,29-,30+/m1/s1 SMILES (mnx) [CH3:1][O:41][C:10]1=[CH:4][C:13]([OH:34])=[C:19]2[C:16](=[CH:5]1)[O:44][C:26]([C:11]1=[CH:6][C:15]([O:42][CH3:2])=[C:12]([OH:33])[CH:7]=[C:14]1[O:45][C@H:29]1[C@H:25]([OH:40])[C@@H:23]([OH:38])[C@H:27]([O:48][C@H:30]3[C@H:24]([OH:39])[C@@H:22]([OH:37])[C@@H:20]([OH:35])[C@@H:17]([CH2:8][OH:31])[O:46]3)[C@@H:18]([CH2:9][OH:32])[O:47]1)=[C:28]([O:43][CH3:3])[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