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

MNXM2114 is deprecated and here replaced by MNXM1371395
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371395 Image of MNXM1371395
referencechebi:77887
formulaC24H20O15
global charge-2
mol weight548.409
InChIKeyFNFHDAUGLIPVPU-XQKZCQIMSA-L
InChIInChI=1S/C24H22O15/c25-9-3-11(26)10-5-15(23(37-14(10)4-9)8-1-12(27)19(32)13(28)2-8)38-24-22(35)21(34)20(33)16(39-24)7-36-18(31)6-17(29)30/h1-5,16,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,30,32)/p-2/t16-,20-,21+,22-,24-/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)=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C24H22O15/c25-9-3-11(26)10-5-15(23(37-14(10)4-9)8-1-12(27)19(32)13(28)2-8)38-24-22(35)21(34)20(33)16(39-24)7-36-18(31)6-17(29)30/h1-5,16,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,30,32)/t16-,20-,21+,22-,24-/m1/s1 Image of MNXM1371395
SMILES (mnx)[CH:1]1=[C:8]([C:23]2=[O+:37][C:14]3=[CH:4][C:9]([OH:25])=[CH:3][C:11]([OH:26])=[C:10]3[CH:5]=[C:15]2[O:38][C@H:24]2[C@H:22]([OH:35])[C@@H:21]([OH:34])[C@H:20]([OH:33])[C@@H:16]([CH2:7][O:36][C:18]([CH2:6][C:17](=[O:29])[OH:30])=[O:31])[O:39]2)[CH:2]=[C:13]([OH:28])[C:19]([O-:32])=[C:12]1[OH:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77887
chebi:77887
FNFHDAUGLIPVPU-XQKZCQIMSA-L 		delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside
5,7-dioxido-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl 6-O-(carboxylatoacetyl)-beta-D-glucopyranoside
delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside(2-)
hmdb:HMDB0029247
FNFHDAUGLIPVPU-XQKZCQIMSA-O 		Delphinidin 3-(6''-malonyl-glucoside)
3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1lambda⁴-chromen-1-ylium
Delphinidin 3-(6''-malonylglucoside)
Delphinidin 3-O-(6''-O-malonyl)-b-D-glucoside
Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside
Delphinidin 3-O-(6''-malonyl-glucoside)
Delphinidin 3-O-(6''-malonylglucoside)
Delphinidin 3-O-(6-O-malonyl-b-D-glucoside)
Delphinidin 3-O-(6-O-malonyl-beta-D-glucoside)

lipidmaps:LMPK12010292
lipidmapsM:LMPK12010292
FNFHDAUGLIPVPU-XQKZCQIMSA-O 		Delphinidin 3-(6''-malonylglucoside)
3',4',5,5',7-Pentahydroxy-3-[[6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyl]oxy]flavylium

kegg.compound:C16301
keggC:C16301
FNFHDAUGLIPVPU-XQKZCQIMSA-O 		Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside

metacyc.compound:CPD-7862
metacycM:CPD-7862
FNFHDAUGLIPVPU-XQKZCQIMSA-L 		delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside

CHEBI:55334
chebi:55334
FNFHDAUGLIPVPU-XQKZCQIMSA-O 		delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside
Delphinidin 3-O-(6-O-malonyl-beta-D-glucoside)

CHEBI:58911
chebi:58911
FNFHDAUGLIPVPU-XQKZCQIMSA-M 		delphinidin-5-olate 3-O-(6''-O-carboxylatoacetyl)-beta-D-glucoside(1-)
7-hydroxy-5-oxido-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl 6-O-(carboxylatoacetyl)-beta-D-glucopyranoside
delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside anion

hmdb:HMDB29247
keggC:M_C16301 		secondary/obsolete/fantasy identifier