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cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) betaine

MNXM163344 is deprecated and here replaced by MNXM1368532
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368532 Image of MNXM1368532
referencechebi:77771
formulaC32H38O20
global charge0
mol weight742.636
InChIKeyRAHCBDLMLRVOBZ-KMLVFDMGSA-N
InChIInChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)30(50-19)47-9-20-23(41)25(43)29(52-31-26(44)21(39)16(38)8-46-31)32(51-20)49-18-6-12-14(36)4-11(34)5-17(12)48-28(18)10-1-2-13(35)15(37)3-10/h1-6,16,19-27,29-33,38-45H,7-9H2,(H3-,34,35,36,37)/t16-,19-,20-,21+,22-,23+,24+,25+,26-,27-,29-,30-,31+,32-/m1/s1
SMILES[O-]C1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C=C12
MNX internals
InChI (mnx)InChI=1/C32H38O20/c33-7-19-22(40)24(42)27(45)30(50-19)47-9-20-23(41)25(43)29(52-31-26(44)21(39)16(38)8-46-31)32(51-20)49-18-6-12-14(36)4-11(34)5-17(12)48-28(18)10-1-2-13(35)15(37)3-10/h1-6,16,19-27,29-33,38-45H,7-9H2,(H3-,34,35,36,37)/t16-,19-,20-,21+,22-,23+,24+,25+,26-,27-,29-,30-,31+,32-/m1/s1 Image of MNXM1368532
SMILES (mnx)[CH:1]1=[CH:2][C:13]([OH:35])=[C:15]([O-:37])[CH:3]=[C:10]1[C:28]1=[O+:48][C:17]2=[CH:5][C:11]([OH:34])=[CH:4][C:14]([OH:36])=[C:12]2[CH:6]=[C:18]1[O:49][C@H:32]1[C@H:29]([O:52][C@H:31]2[C@H:26]([OH:44])[C@@H:21]([OH:39])[C@H:16]([OH:38])[CH2:8][O:46]2)[C@@H:25]([OH:43])[C@@H:23]([OH:41])[C@@H:20]([CH2:9][O:47][C@H:30]2[C@H:27]([OH:45])[C@@H:24]([OH:42])[C@H:22]([OH:40])[C@@H:19]([CH2:7][OH:33])[O:50]2)[O:51]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77771
chebi:77771
RAHCBDLMLRVOBZ-KMLVFDMGSA-N 		cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) betaine
2-(3,4-dihydroxyphenyl)-3-{[beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranosyl]oxy}-7-hydroxychromenium-5-olate
cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) zwitterion

kegg.compound:C08612
keggC:C08612
RAHCBDLMLRVOBZ-KMLVFDMGSA-O 		Cyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside)
Cyanidin 3-O-(6-O-beta-D-glucosyl-2-O-beta-D-xylosyl-beta-D-galactoside)

lipidmaps:LMPK12010099
lipidmapsM:LMPK12010099
RAHCBDLMLRVOBZ-KMLVFDMGSA-O 		Cyanidin 3-glucosyl-(1->6)-[xylosyl-(1->2)-galactoside]
3-[(2-O-beta-D-Xylopyranosyl-6-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-1-benzopyrylium-5,7-diol

CHEBI:27898
chebi:27898
RAHCBDLMLRVOBZ-KMLVFDMGSA-O 		cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranoside
Cyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside)

metacyc.compound:CPD-14999
metacycM:CPD-14999
RAHCBDLMLRVOBZ-KMLVFDMGSA-N 		cyanidin 3-O-[beta-D-glucosyl-(1->6)]-[beta-D-xylosyl-(1->2)]-beta-D-galactoside

chebi:23427
chebi:3972
keggC:M_C08612 		secondary/obsolete/fantasy identifier