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cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)

PropertiesImage
MNX_IDMNXM1583684 Image of MNXM1583684
referencechebi:31442
formulaC24H23O14
global charge1
mol weight535.434
InChIKeyROQLTZUOXIQBDO-JZWLZXDTSA-O
InChIInChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1/t17-,20-,21+,22-,24-/m1/s1
SMILESO=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/t17-,20-,21+,22-,24-/m1/s1 Image of MNXM1583684
SMILES (mnx)[cH:1]1[cH:2][c:12]([OH:26])[c:14]([OH:28])[cH:3][c:9]1-[c:23]1[c:16]([O:37][C@H:24]2[C@H:22]([OH:34])[C@@H:21]([OH:33])[C@H:20]([OH:32])[C@@H:17]([CH2:8][O:35][C:19]([CH2:7][C:18]([OH:29])=[O:30])=[O:31])[O:38]2)[cH:6][c:11]2[c:13]([OH:27])[cH:4][c:10]([OH:25])[cH:5][c:15]2[o+:36]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:31442
chebi:31442
ROQLTZUOXIQBDO-JZWLZXDTSA-O 		cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside
Cyanidin 3-O-(6'-O-malonylglucoside)
Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)
Cyanidin-3-(6'-malonylglucoside)

lipidmaps:LMPK12010135
lipidmapsM:LMPK12010135
ROQLTZUOXIQBDO-JZWLZXDTSA-O 		Cyanidin 3-(6''-malonylglucoside)
3',4',5,7-Tetrahydroxy-3-[[6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyl]oxy]flavylium
Cyanidin-3-O-(6-O-malonyl-beta-D-glucopyranoside)

sabiork.compound:14674
sabiorkM:14674
kegg.compound:C12643
keggC:C12643
ROQLTZUOXIQBDO-JZWLZXDTSA-O 		Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)
Cyanidin 3-O-(6'-O-malonylglucoside)
Cyanidin-3-(6'-malonylglucoside)

keggC:M_C12643 		secondary/obsolete/fantasy identifier