7-Hydroxy-1,4,5-trimethoxyxanthone 7-O-[b-D-glucosyl-(1->2)-b-D-galactoside]

Properties Image MNX_ID MNXM118542 reference hmdb:HMDB0036014 formula C28H34O16 global charge 0 mol weight 626.564 InChIKey MVCRPAXAMRBATF-UHFFFAOYSA-N InChI InChI=1S/C28H34O16/c1-37-12-4-5-13(38-2)25-17(12)18(31)11-6-10(7-14(39-3)24(11)43-25)40-28-26(22(35)20(33)16(9-30)42-28)44-27-23(36)21(34)19(32)15(8-29)41-27/h4-7,15-16,19-23,26-30,32-36H,8-9H2,1-3H3 SMILES COC1=C2OC3=C(OC)C=CC(OC)=C3C(=O)C2=CC(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)=C1 MNX internals InChI (mnx) InChI=1/C28H34O16/c1-37-12-4-5-13(38-2)25-17(12)18(31)11-6-10(7-14(39-3)24(11)43-25)40-28-26(22(35)20(33)16(9-30)42-28)44-27-23(36)21(34)19(32)15(8-29)41-27/h4-7,15-16,19-23,26-30,32-36H,8-9H2,1-3H3/t15?,16?,19?,20?,21?,22?,23?,26?,27?,28? SMILES (mnx) [CH3:1][O:37][C:12]1=[C:17]2[C:18](=[O:31])[C:11]3=[CH:6][C:10]([O:40][CH:28]4[CH:26]([O:44][CH:27]5[CH:23]([OH:36])[CH:21]([OH:34])[CH:19]([OH:32])[CH:15]([CH2:8][OH:29])[O:41]5)[CH:22]([OH:35])[CH:20]([OH:33])[CH:16]([CH2:9][OH:30])[O:42]4)=[CH:7][C:14]([O:39][CH3:3])=[C:24]3[O:43][C:25]2=[C:13]([O:38][CH3:2])[CH:5]=[CH:4]1

Parent-child relations graph

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