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cyanidin 3,5-di-O-beta-D-glucoside

MNXM728628 is deprecated and here replaced by MNXM1371151
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371151 Image of MNXM1371151
referencechebi:71511
formulaC27H30O16
global charge0
mol weight610.521
InChIKeyRDFLLVCQYHQOBU-ZOTFFYTFSA-N
InChIInChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
SMILES[O-]C1=CC2=[O+]C(C3=CC(O)=C(O)C=C3)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1
MNX internals
InChI (mnx)InChI=1/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1 Image of MNXM1371151
SMILES (mnx)[CH:1]1=[CH:2][C:12]([OH:31])=[C:13]([O-:32])[CH:3]=[C:9]1[C:25]1=[O+:39][C:14]2=[C:11]([CH:6]=[C:16]1[O:41][C@H:27]1[C@H:24]([OH:38])[C@@H:22]([OH:36])[C@H:20]([OH:34])[C@@H:18]([CH2:8][OH:29])[O:43]1)[C:15]([O:40][C@H:26]1[C@H:23]([OH:37])[C@@H:21]([OH:35])[C@H:19]([OH:33])[C@@H:17]([CH2:7][OH:28])[O:42]1)=[CH:5][C:10]([OH:30])=[CH:4]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71511
chebi:71511
RDFLLVCQYHQOBU-ZOTFFYTFSA-N 		cyanidin 3,5-di-O-beta-D-glucoside
2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-glucopyranosyloxy)chromenium-7-olate
cyanidin 3,5-di-O-beta-D-glucoside betaine
cyanin betaine

kegg.compound:C08639
keggC:C08639
RDFLLVCQYHQOBU-ZOTFFYTFSA-O 		Cyanidin 3,5-O-diglucoside
Cyanidin 3,5-di-O-beta-D-glucoside
Cyanidin 3,5-di-O-glucoside
Cyanin

vmhM:cyn
vmhmetabolite:cyn
RDFLLVCQYHQOBU-ZOTFFYTFSA-O 		Cyanin

lipidmaps:LMPK12010113
lipidmapsM:LMPK12010113
RDFLLVCQYHQOBU-ZOTFFYTFSA-O 		Cyanin
3,5-Bis-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(3,4-dihydroxyphenyl)-1-benzopyrylium
Cyanidin 3,5-diglucoside

sabiork.compound:10731
sabiorkM:10731
RDFLLVCQYHQOBU-ZOTFFYTFSA-O 		Cyanin
Cyanidin 3,5-O-diglucoside
Cyanidin 3,5-di-O-beta-D-glucoside
Cyanidin 3,5-di-O-glucoside

metacyc.compound:CPD-7138
metacycM:CPD-7138
RDFLLVCQYHQOBU-ZOTFFYTFSA-N 		cyanidin 3,5-di-O-beta-D-glucoside
cyanidin-3,5-diglucoside
cyanin
hmdb:HMDB0304306
RDFLLVCQYHQOBU-ZOTFFYTFSA-O 		cyanidin-3,5-diglucoside
2-(3,4-Dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-7-hydroxychromenylium-5-yl b-D-glucopyranoside
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxychromenylium-5-yl beta-D-glucopyranoside
2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1lambda⁴-chromen-1-ylium
Cyanidin 3,5-O-diglucoside
Cyanidin 3,5-di-O-b-D-glucoside
Cyanidin 3,5-di-O-beta-D-glucoside
Cyanidin 3,5-di-O-glucoside
Cyanidin 3,5-diglucoside
cyanin

CHEBI:3978
chebi:3978
RDFLLVCQYHQOBU-ZOTFFYTFSA-O 		cyanin
2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxychromenylium-5-yl beta-D-glucopyranoside
3,5-bis(beta-D-glucopyranosyloxy)-3',4',7-trihydroxyflavylium
Cyanidin 3,5-O-diglucoside
Cyanidin 3,5-di-O-glucoside
Cyanidin 3,5-diglucoside
Cyanin

keggC:M_C08639
vmhM:M_cyn 		secondary/obsolete/fantasy identifier