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delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside

MNXM2366 is deprecated and here replaced by MNXM1368815
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368815 Image of MNXM1368815
referencechebi:58913
formulaC30H31O20
global charge-1
mol weight711.558
InChIKeyYHLZPXCREROAPG-YEQKKNNOSA-M
InChIInChI=1S/C30H32O20/c31-7-17-22(39)24(41)26(43)29(49-17)47-15-2-9(1-13(34)21(15)38)28-16(5-11-12(33)3-10(32)4-14(11)46-28)48-30-27(44)25(42)23(40)18(50-30)8-45-20(37)6-19(35)36/h1-5,17-18,22-27,29-31,39-44H,6-8H2,(H4-,32,33,34,35,36,38)/p-1/t17-,18-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1
SMILESO=C([O-])CC(=O)OC[C@H]1O[C@@H](OC2=CC3=C([O-])C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C30H32O20/c31-7-17-22(39)24(41)26(43)29(49-17)47-15-2-9(1-13(34)21(15)38)28-16(5-11-12(33)3-10(32)4-14(11)46-28)48-30-27(44)25(42)23(40)18(50-30)8-45-20(37)6-19(35)36/h1-5,17-18,22-27,29-31,39-44H,6-8H2,(H4-,32,33,34,35,36,38)/t17-,18-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1 Image of MNXM1368815
SMILES (mnx)[CH:1]1=[C:9]([C:28]2=[O+:46][C:14]3=[CH:4][C:10]([OH:32])=[CH:3][C:12]([OH:33])=[C:11]3[CH:5]=[C:16]2[O:48][C@H:30]2[C@H:27]([OH:44])[C@@H:25]([OH:42])[C@H:23]([OH:40])[C@@H:18]([CH2:8][O:45][C:20]([CH2:6][C:19](=[O:35])[OH:36])=[O:37])[O:50]2)[CH:2]=[C:15]([O:47][C@H:29]2[C@H:26]([OH:43])[C@@H:24]([OH:41])[C@H:22]([OH:39])[C@@H:17]([CH2:7][OH:31])[O:49]2)[C:21]([O-:38])=[C:13]1[OH:34]
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:58913
chebi:58913
YHLZPXCREROAPG-YEQKKNNOSA-M 		delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside
2-[3-(beta-D-glucopyranosyloxy)-4,5-dihydroxyphenyl]-7-hydroxy-5-oxidochromenium-3-yl 6-O-(carboxylatoacetyl)-beta-D-glucopyranoside
delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-beta-D-glucoside-3'-O-beta-D-glucoside anion
delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-beta-D-glucoside-3'-O-beta-D-glucoside(1-)

kegg.compound:C16304
keggC:C16304
YHLZPXCREROAPG-YEQKKNNOSA-O 		Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside
Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside

CHEBI:55336
chebi:55336
YHLZPXCREROAPG-YEQKKNNOSA-O 		delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside
2-[3-(beta-D-glucopyranosyloxy)-4,5-dihydroxyphenyl]-5,7-dihydroxychromenium-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside

metacyc.compound:CPD-7870
metacycM:CPD-7870
YHLZPXCREROAPG-YEQKKNNOSA-L 		delphinidin-3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside

keggC:M_C16304 		secondary/obsolete/fantasy identifier