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

PropertiesImage
MNX_IDMNXM1371498 Image of MNXM1371498
referencechebi:138860
formulaC32H39O20
global charge1
mol weight743.644
InChIKeyOLBLWNPOURNBCY-MRBLLYQQSA-O
InChIInChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/p+1/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1
SMILESOC[C@H]1O[C@@H](OC2=C3C=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)C(C4=CC=C(O)C(O)=C4)=[O+]C3=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1 Image of MNXM1371498
SMILES (mnx)[CH:1]1=[CH:2][C:13]([OH:36])=[C:14]([O-:37])[CH:3]=[C:10]1[C:28]1=[O+:47][C:16]2=[C:12]([CH:6]=[C:18]1[O:49][C@H:32]1[C@H:29]([O:52][C@H:30]3[C@H:26]([OH:44])[C@@H:21]([OH:39])[C@H:15]([OH:38])[CH2:9][O:46]3)[C@@H:25]([OH:43])[C@H:23]([OH:41])[C@@H:20]([CH2:8][OH:34])[O:51]1)[C:17]([O:48][C@H:31]1[C@H:27]([OH:45])[C@@H:24]([OH:42])[C@H:22]([OH:40])[C@@H:19]([CH2:7][OH:33])[O:50]1)=[CH:5][C:11]([OH:35])=[CH:4]2
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
IdentifierDescription

CHEBI:138860
chebi:138860
OLBLWNPOURNBCY-MRBLLYQQSA-O 		cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside

lipidmaps:LMPK12010126
lipidmapsM:LMPK12010126
OLBLWNPOURNBCY-MRBLLYQQSA-O 		Cyanidin 3-sambubioside-5-glucoside
2-(3,4-Dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3-[2-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyloxy]-1-benzopyrylium
Cyanidin 3-(2-O-xylosylglucoside)-5-O-glucoside

kegg.compound:C20493
keggC:C20493
OLBLWNPOURNBCY-MRBLLYQQSA-O 		Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside

metacyc.compound:CPD-18094
metacycM:CPD-18094
OLBLWNPOURNBCY-MRBLLYQQSA-N 		cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside
cyanidin 3-sambubioside 5-glucoside

keggC:M_C20493 		secondary/obsolete/fantasy identifier