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cyanidin 3,7-di-O-beta-D-glucoside

MNXM81886 is deprecated and here replaced by MNXM1370764
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370764 Image of MNXM1370764
referencechebi:71513
formulaC27H30O16
global charge0
mol weight610.521
InChIKeyULXBEUBSYSSVTP-ZOTFFYTFSA-N
InChIInChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-10-4-13(31)11-6-16(41-27-24(38)22(36)20(34)18(8-29)43-27)25(40-15(11)5-10)9-1-2-12(30)14(32)3-9/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=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=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=C12
MNX internals
InChI (mnx)InChI=1/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-10-4-13(31)11-6-16(41-27-24(38)22(36)20(34)18(8-29)43-27)25(40-15(11)5-10)9-1-2-12(30)14(32)3-9/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 MNXM1370764
SMILES (mnx)[CH:1]1=[CH:2][C:12]([OH:30])=[C:14]([O-:32])[CH:3]=[C:9]1[C:25]1=[C:16]([O:41][C@H:27]2[C@H:24]([OH:38])[C@@H:22]([OH:36])[C@H:20]([OH:34])[C@@H:18]([CH2:8][OH:29])[O:43]2)[CH:6]=[C:11]2[C:13]([OH:31])=[CH:4][C:10](=[O+:39][C@H:26]3[C@H:23]([OH:37])[C@@H:21]([OH:35])[C@H:19]([OH:33])[C@@H:17]([CH2:7][OH:28])[O:42]3)[CH:5]=[C:15]2[O:40]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71513
chebi:71513
ULXBEUBSYSSVTP-ZOTFFYTFSA-N 		cyanidin 3,7-di-O-beta-D-glucoside
2-(3,4-dihydroxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)chromenium-5-olate
cyanidin 3,7-di-O-beta-D-glucoside betaine

sabiork.compound:30197
sabiorkM:30197
kegg.compound:C20469
keggC:C20469
ULXBEUBSYSSVTP-ZOTFFYTFSA-N
ULXBEUBSYSSVTP-ZOTFFYTFSA-O 		Cyanidin 3,7-di-O-beta-D-glucoside

lipidmaps:LMPK12010120
lipidmapsM:LMPK12010120
ULXBEUBSYSSVTP-ZOTFFYTFSA-O 		Seranin
Cyanidin 3,7-di-O-beta-D-glucoside

metacyc.compound:CPD-15005
metacycM:CPD-15005
ULXBEUBSYSSVTP-ZOTFFYTFSA-N 		cyanidin 3,7-di-O-beta-D-glucoside

CHEBI:71584
chebi:71584
ULXBEUBSYSSVTP-ZOTFFYTFSA-O 		cyanidin 3,7-di-O-beta-D-glucoside
2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxychromenium-7-yl beta-D-glucopyranoside

keggC:M_C20469 		secondary/obsolete/fantasy identifier