**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside

Properties Image MNX_ID MNXM1583712 reference keggC:C20492 formula C32H39O19 global charge 1 mol weight 727.645 InChIKey NNEATHLRLZWIRN-MRBLLYQQSA-O InChI InChI=1S/C32H38O19/c33-8-19-22(39)24(41)27(44)31(49-19)47-17-6-13(36)5-16-14(17)7-18(28(46-16)11-1-3-12(35)4-2-11)48-32-29(25(42)23(40)20(9-34)50-32)51-30-26(43)21(38)15(37)10-45-30/h1-7,15,19-27,29-34,37-44H,8-10H2,(H-,35,36)/p+1/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1 SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C32H38O19/c33-8-19-22(39)24(41)27(44)31(49-19)47-17-6-13(36)5-16-14(17)7-18(28(46-16)11-1-3-12(35)4-2-11)48-32-29(25(42)23(40)20(9-34)50-32)51-30-26(43)21(38)15(37)10-45-30/h1-7,15,19-27,29-34,37-44H,8-10H2,(H-,35,36)/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1 SMILES (mnx) [cH:1]1[cH:3][c:12]([OH:35])[cH:4][cH:2][c:11]1-[c:28]1[c:18]([O:48][C@H:32]2[C@H:29]([O:51][C@H:30]3[C@H:26]([OH:43])[C@@H:21]([OH:38])[C@H:15]([OH:37])[CH2:10][O:45]3)[C@@H:25]([OH:42])[C@H:23]([OH:40])[C@@H:20]([CH2:9][OH:34])[O:50]2)[cH:7][c:14]2[c:16]([cH:5][c:13]([OH:36])[cH:6][c:17]2[O:47][C@H:31]2[C@H:27]([OH:44])[C@@H:24]([OH:41])[C@H:22]([OH:39])[C@@H:19]([CH2:8][OH:33])[O:49]2)[o+:46]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
kegg.compound:C20492 keggC:C20492 NNEATHLRLZWIRN-MRBLLYQQSA-O	Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside
lipidmaps:LMPK12010025 lipidmapsM:LMPK12010025 NNEATHLRLZWIRN-MRBLLYQQSA-O	Pelargonidin 3-sambubioside-5-glucoside 3,5,7,4'-Tetrahydroxyflavylium 3-xylosyl-(1->2)-glucoside-5-glucoside
keggC:M_C20492	secondary/obsolete/fantasy identifier