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

MNXM23359 is deprecated and here replaced by MNXM1368805
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368805 Image of MNXM1368805
referencechebi:138864
formulaC27H31O17
global charge1
mol weight627.528
InChIKeyJVROXMCODLRLLV-LCENJUANSA-O
InChIInChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-9-3-11(30)10-5-15(42-27-24(39)22(37)20(35)17(7-29)44-27)25(41-14(10)4-9)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
SMILESOC[C@H]1O[C@@H](OC2=CC(O)=C3C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C4=CC(O)=C(O)C(O)=C4)=[O+]C3=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-9-3-11(30)10-5-15(42-27-24(39)22(37)20(35)17(7-29)44-27)25(41-14(10)4-9)8-1-12(31)18(33)13(32)2-8/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 MNXM1368805
SMILES (mnx)[CH:1]1=[C:8]([C:25]2=[C:15]([O:42][C@H:27]3[C@H:24]([OH:39])[C@@H:22]([OH:37])[C@H:20]([OH:35])[C@@H:17]([CH2:7][OH:29])[O:44]3)[CH:5]=[C:10]3[C:11]([OH:30])=[CH:3][C:9](=[O+:40][C@H:26]4[C@H:23]([OH:38])[C@@H:21]([OH:36])[C@H:19]([OH:34])[C@@H:16]([CH2:6][OH:28])[O:43]4)[CH:4]=[C:14]3[O:41]2)[CH:2]=[C:13]([OH:32])[C:18]([O-:33])=[C:12]1[OH:31]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:138864
chebi:138864
kegg.compound:C20496
keggC:C20496
JVROXMCODLRLLV-LCENJUANSA-O 		Delphinidin 3,7-di-O-beta-D-glucoside

lipidmaps:LMPK12010284
lipidmapsM:LMPK12010284
JVROXMCODLRLLV-LCENJUANSA-O 		Delphinidin 3,7-diglucoside
3,7-Bis(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium

metacyc.compound:CPD-15290
metacycM:CPD-15290
JVROXMCODLRLLV-LCENJUANSA-N 		delphinidin 3,7-di O-beta-D-glucoside

keggC:M_C20496 		secondary/obsolete/fantasy identifier