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Peonidin 3-xyloside

PropertiesImage
MNX_IDMNXM129154 Image of MNXM129154
referencechebi:176116
formulaC21H21O10
global charge1
mol weight433.389
InChIKeyKGHFAKPGOXLHAB-RCLSDMTESA-O
InChIInChI=1S/C21H20O10/c1-28-15-4-9(2-3-12(15)24)20-16(30-21-19(27)18(26)17(8-22)31-21)7-11-13(25)5-10(23)6-14(11)29-20/h2-7,17-19,21-22,26-27H,8H2,1H3,(H2-,23,24,25)/p+1/t17-,18+,19-,21-/m1/s1
SMILESCOC1=C(O)C=CC(C2=[O+]C3=C(C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C(O)=CC(O)=C3)=C1
MNX internals
InChI (mnx)InChI=1/C21H20O10/c1-28-15-4-9(2-3-12(15)24)20-16(30-21-19(27)18(26)17(8-22)31-21)7-11-13(25)5-10(23)6-14(11)29-20/h2-7,17-19,21-22,26-27H,8H2,1H3,(H2-,23,24,25)/t17-,18+,19-,21-/m1/s1 Image of MNXM129154
SMILES (mnx)[CH3:1][O:28][C:15]1=[C:12]([OH:24])[CH:3]=[CH:2][C:9]([C:20]2=[O+:29][C:14]3=[CH:6][C:10]([OH:23])=[CH:5][C:13]([O-:25])=[C:11]3[CH:7]=[C:16]2[O:30][C@H:21]2[C@H:19]([OH:27])[C@@H:18]([OH:26])[C@@H:17]([CH2:8][OH:22])[O:31]2)=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176116
chebi:176116
KGHFAKPGOXLHAB-RCLSDMTESA-O 		Peonidin 3-xyloside
3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-5,7-diol
hmdb:HMDB0041767
KGHFAKPGOXLHAB-RCLSDMTESA-O 		Peonidin 3-xyloside
3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1lambda⁴-chromen-1-ylium
Peonidin 3-O-xyloside

hmdb:HMDB41767 		secondary/obsolete/fantasy identifier