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delphinidin 3,5-bis-O-beta-D-glucoside

MNXM146142 is deprecated and here replaced by MNXM1371155
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371155 Image of MNXM1371155
referencechebi:77838
formulaC27H30O17
global charge0
mol weight626.52
InChIKeyXCTGXGVGJYACEI-LCENJUANSA-N
InChIInChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/t16-,17-,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)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1
MNX internals
InChI (mnx)InChI=1/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1 Image of MNXM1371155
SMILES (mnx)[CH:1]1=[C:8]([C:25]2=[O+:40][C:13]3=[C:10]([CH:5]=[C:15]2[O:42][C@H:27]2[C@H:24]([OH:39])[C@@H:22]([OH:37])[C@H:20]([OH:35])[C@@H:17]([CH2:7][OH:29])[O:44]2)[C:14]([O:41][C@H:26]2[C@H:23]([OH:38])[C@@H:21]([OH:36])[C@H:19]([OH:34])[C@@H:16]([CH2:6][OH:28])[O:43]2)=[CH:4][C:9]([OH:30])=[CH:3]3)[CH:2]=[C:12]([OH:32])[C:18]([O-:33])=[C:11]1[OH:31]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77838
chebi:77838
XCTGXGVGJYACEI-LCENJUANSA-N 		delphinidin 3,5-bis-O-beta-D-glucoside
3,5-bis(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)chromenium-7-olate
delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside betaine

sabiork.compound:28639
sabiorkM:28639
XCTGXGVGJYACEI-LCENJUANSA-O 		Delphinidin 3,5-di-O-glucoside
Delphinidin 3,5-di-O-beta-D-glucoside

vmhM:dpnddg
vmhmetabolite:dpnddg
XCTGXGVGJYACEI-LCENJUANSA-O 		Delphinidin 3,5-diglucoside
7-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium
hmdb:HMDB0030693
XCTGXGVGJYACEI-LCENJUANSA-O 		Delphinidin 3,5-diglucoside
7-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium
Aurobanin a
C.I. natural blue
Delphin
Delphinidin 3,5-O-diglucoside
Delphinidin 3-O-b-D-glucoside-5-O-b-D-glucoside
Delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside
Delphoside?
Hyacin

kegg.compound:C16312
keggC:C16312
XCTGXGVGJYACEI-LCENJUANSA-O 		Delphinidin 3,5-diglucoside
Delphin

lipidmaps:LMPK12010283
lipidmapsM:LMPK12010283
XCTGXGVGJYACEI-LCENJUANSA-O 		Delphin
3,5-Bis (beta-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium
Awobanin A
Delphinidin 3,5-diglucoside

metacyc.compound:CPD-7139
metacycM:CPD-7139
XCTGXGVGJYACEI-LCENJUANSA-N 		delphinidin 3,5-di-O-beta-D-glucoside
delphinidin-3,5-diglucoside

CHEBI:55455
chebi:55455
XCTGXGVGJYACEI-LCENJUANSA-O 		delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside
3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-5-yl beta-D-glucopyranoside
Delphin
Delphinidin 3,5-diglucoside

hmdb:HMDB30693
keggC:M_C16312
vmhM:M_dpnddg 		secondary/obsolete/fantasy identifier