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delphinidin 3,3',5-tri-O-beta-D-glucoside

MNXM5712 is deprecated and here replaced by MNXM1370313
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370313 Image of MNXM1370313
referencechebi:77844
formulaC33H40O22
global charge0
mol weight788.661
InChIKeyYDAVXGXZAIUFTB-KCRRSQHJSA-N
InChIInChI=1S/C33H40O22/c34-6-17-21(40)24(43)27(46)31(53-17)50-14-4-10(37)3-13-11(14)5-16(52-33-29(48)26(45)23(42)19(8-36)55-33)30(49-13)9-1-12(38)20(39)15(2-9)51-32-28(47)25(44)22(41)18(7-35)54-32/h1-5,17-19,21-29,31-36,40-48H,6-8H2,(H2-,37,38,39)/t17-,18-,19-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/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[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3)=[O+]C2=C1
MNX internals
InChI (mnx)InChI=1/C33H40O22/c34-6-17-21(40)24(43)27(46)31(53-17)50-14-4-10(37)3-13-11(14)5-16(52-33-29(48)26(45)23(42)19(8-36)55-33)30(49-13)9-1-12(38)20(39)15(2-9)51-32-28(47)25(44)22(41)18(7-35)54-32/h1-5,17-19,21-29,31-36,40-48H,6-8H2,(H2-,37,38,39)/t17-,18-,19-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1 Image of MNXM1370313
SMILES (mnx)[CH:1]1=[C:9]([C:30]2=[O+:49][C:13]3=[C:11]([CH:5]=[C:16]2[O:52][C@H:33]2[C@H:29]([OH:48])[C@@H:26]([OH:45])[C@H:23]([OH:42])[C@@H:19]([CH2:8][OH:36])[O:55]2)[C:14]([O:50][C@H:31]2[C@H:27]([OH:46])[C@@H:24]([OH:43])[C@H:21]([OH:40])[C@@H:17]([CH2:6][OH:34])[O:53]2)=[CH:4][C:10]([OH:37])=[CH:3]3)[CH:2]=[C:15]([O:51][C@H:32]2[C@H:28]([OH:47])[C@@H:25]([OH:44])[C@H:22]([OH:41])[C@@H:18]([CH2:7][OH:35])[O:54]2)[C:20]([O-:39])=[C:12]1[OH:38]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77844
chebi:77844
YDAVXGXZAIUFTB-KCRRSQHJSA-N 		delphinidin 3,3',5-tri-O-beta-D-glucoside
3,5-bis(beta-D-glucopyranosyloxy)-2-[3-(beta-D-glucopyranosyloxy)-4,5-dihydroxyphenyl]chromenium-7-olate
delphinidin 3,3',5-tri-O-beta-D-glucoside betaine

sabiork.compound:28640
sabiorkM:28640
YDAVXGXZAIUFTB-KCRRSQHJSA-N 		Delphinidin 3,3',5-tri-O-beta-glucoside
Delphinidin 3,3',5-tri-O-beta-D-glucoside

sabiork.compound:28638
sabiorkM:28638
YDAVXGXZAIUFTB-KCRRSQHJSA-O 		Delphinidin 3,3',5-tri-O-glucoside
Delphinidin 3,3',5-tri-O-beta-D-glucoside

kegg.compound:C16314
keggC:C16314
YDAVXGXZAIUFTB-KCRRSQHJSA-O 		Delphinidin 3,5,3'-triglucoside

metacyc.compound:CPD-7966
metacycM:CPD-7966
YDAVXGXZAIUFTB-KCRRSQHJSA-N 		delphinidin 3,3',5-tri-O-beta-D-glucoside
delphinidin 3,5,3'-triglucoside

CHEBI:55456
chebi:55456
YDAVXGXZAIUFTB-KCRRSQHJSA-O 		delphinidin 3,3',5-tri-O-glucoside
Delphinidin 3,5,3'-triglucoside

keggC:M_C16314 		secondary/obsolete/fantasy identifier