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peonidin 3-O-beta-D-glucoside

MNXM12604 is deprecated and here replaced by MNXM1366647
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1366647 Image of MNXM1366647
referencechebi:144780
formulaC22H22O11
global charge0
mol weight462.407
InChIKeyZZWPMFROUHHAKY-OUUKCGNVSA-N
InChIInChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/t17-,18-,19+,20-,22-/m1/s1
SMILESCOC1=CC(C2=[O+]C3=CC(O)=CC([O-])=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1O
MNX internals
InChI (mnx)InChI=1/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/t17-,18-,19+,20-,22-/m1/s1 Image of MNXM1366647
SMILES (mnx)[CH3:1][O:30][C:15]1=[C:12]([OH:25])[CH:3]=[CH:2][C:9]([C:21]2=[O+:31][C:14]3=[CH:6][C:10]([OH:24])=[CH:5][C:13]([O-:26])=[C:11]3[CH:7]=[C:16]2[O:32][C@H:22]2[C@H:20]([OH:29])[C@@H:19]([OH:28])[C@H:18]([OH:27])[C@@H:17]([CH2:8][OH:23])[O:33]2)=[CH:4]1
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:144780
chebi:144780
ZZWPMFROUHHAKY-OUUKCGNVSA-N 		peonidin 3-O-beta-D-glucoside
3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-5-olate
peonidin 3-O-beta-D-glucoside betaine

lipidmaps:LMPK12010233
lipidmapsM:LMPK12010233
ZZWPMFROUHHAKY-OUUKCGNVSA-O 		Oxycoccicyanin
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(beta-D-glucopyranosyloxy)-1-benzopyrylium
Glucopeonidin
Peonidin 3-O-beta-D-glucopyranoside
Peonidin 3-glucoside

sabiork.compound:14177
sabiorkM:14177
kegg.compound:C12141
keggC:C12141
ZZWPMFROUHHAKY-OUUKCGNVSA-O 		Peonidin 3-O-glucoside
Peonidin-3-glucoside
hmdb:HMDB0013689
ZZWPMFROUHHAKY-OUUKCGNVSA-O 		Peonidin-3-glucoside
3'-O-Methylcyanidin 3-O-b-D-glucoside
3'-O-Methylcyanidin 3-O-beta-D-glucoside
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium
Oxycoccicyanin
Peonidin 3-O-b-D-glucoside
Peonidin 3-O-beta-D-glucoside
Peonidin 3-O-glucoside
Peonidin 3-glucoside
Peonidin-3-O-glucoside

CHEBI:74793
chebi:74793
ZZWPMFROUHHAKY-OUUKCGNVSA-O 		peonidin 3-O-beta-D-glucoside
3'-O-methylcyanidin 3-O-beta-D-glucoside
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-3-yl beta-D-glucopyranoside
Oxycoccicyanin
Peonidin 3-O-glucoside
Peonidin-3-glucoside

metacyc.compound:CPD-19094
metacycM:CPD-19094
ZZWPMFROUHHAKY-OUUKCGNVSA-M 		peonidin-3-O-beta-D-glucoside

hmdb:HMDB13689
chebi:31977
keggC:M_C12141 		secondary/obsolete/fantasy identifier