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Cyanidin 3-O-3'',6''-O-dimalonylglucoside

MNXM47955 is deprecated and here replaced by MNXM736907
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM736907

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₇H₂₅O₁₇

charge

mass

621.10863

reference

chebi:80425

InChIKey

CXGHPQSURHQOBH-MQWSOPDOSA-O

InChI

InChI=1S/C27H24O17/c28-11-4-14(30)12-6-17(25(41-16(12)5-11)10-1-2-13(29)15(31)3-10)42-27-24(39)26(44-22(37)8-20(34)35)23(38)18(43-27)9-40-21(36)7-19(32)33/h1-6,18,23-24,26-27,38-39H,7-9H2,(H5-,28,29,30,31,32,33,34,35)/p+1/t18-,23-,24-,26+,27-/m1/s1

SMILES

O=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](OC(=O)CC(=O)O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd15005 seedM:cpd15005 CHEBI:80425 chebi:80425 kegg.compound:C16289 keggC:C16289	Cyanidin 3-O-3'',6''-O-dimalonylglucoside
hmdb:HMDB0030096	Cyanidin 3-(3'',6''-dimalonylglucoside) 3,3',4',5,7-Pentahydroxyflavylium(1+) 3-O-(3,6-Di-O-malonyl-b-D-glucopyranoside) 3-{[(2S,3R,4S,5R,6R)-4-[(2-carboxyacetyl)oxy]-6-{[(2-carboxyacetyl)oxy]methyl}-3,5-dihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda⁴-chromen-1-ylium Cyanidin 3-O-(3,6-di-O-malonyl-b-D-glucopyranoside)
metacyc.compound:CPD-7700 metacycM:CPD-7700 seed.compound:cpd24841 seedM:cpd24841	cyanidin 3-O-(3'',6''-O-dimalonyl-beta-glucopyranoside)
hmdb:HMDB30096 keggC:M_C16289 seedM:M_cpd15005 seedM:M_cpd24841	secondary/obsolete/fantasy identifier