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2-Hydroxy-3-methyl-4H-pyran-4-one O-(6E-cinnamoyl-b-D-glucoside)

PropertiesImage
MNX_IDMNXM116769 Image of MNXM116769
referencechebi:192037
formulaC21H22O9
global charge0
mol weight418.398
InChIKeyJRUMXTPQUYPUHC-BQYQJAHWSA-N
InChIInChI=1S/C21H22O9/c1-12-14(22)9-10-27-20(12)30-21-19(26)18(25)17(24)15(29-21)11-28-16(23)8-7-13-5-3-2-4-6-13/h2-10,15,17-19,21,24-26H,11H2,1H3/b8-7+
SMILESCC1=C(OC2OC(COC(=O)/C=C/C3=CC=CC=C3)C(O)C(O)C2O)OC=CC1=O
MNX internals
InChI (mnx)InChI=1/C21H22O9/c1-12-14(22)9-10-27-20(12)30-21-19(26)18(25)17(24)15(29-21)11-28-16(23)8-7-13-5-3-2-4-6-13/h2-10,15,17-19,21,24-26H,11H2,1H3/b8-7+/t15?,17?,18?,19?,21? Image of MNXM116769
SMILES (mnx)[CH3:1][C:12]1=[C:20]([O:30][CH:21]2[CH:19]([OH:26])[CH:18]([OH:25])[CH:17]([OH:24])[CH:15]([CH2:11][O:28][C:16](/[CH:8]=[CH:7]/[C:13]3=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]3)=[O:23])[O:29]2)[O:27][CH:10]=[CH:9][C:14]1=[O:22]
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:192037
chebi:192037
JRUMXTPQUYPUHC-BQYQJAHWSA-N 		2-Hydroxy-3-methyl-4H-pyran-4-one O-(6E-cinnamoyl-b-D-glucoside)
[3,4,5-trihydroxy-6-(3-methyl-4-oxopyran-2-yl)oxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
hmdb:HMDB0041098
JRUMXTPQUYPUHC-BQYQJAHWSA-N 		2-Hydroxy-3-methyl-4H-pyran-4-one O-(6E-cinnamoyl-b-D-glucoside)
{3,4,5-trihydroxy-6-[(3-methyl-4-oxo-4H-pyran-2-yl)oxy]oxan-2-yl}methyl (2E)-3-phenylprop-2-enoate
{3,4,5-trihydroxy-6-[(3-methyl-4-oxo-4H-pyran-2-yl)oxy]oxan-2-yl}methyl (2E)-3-phenylprop-2-enoic acid
{3,4,5-trihydroxy-6-[(3-methyl-4-oxopyran-2-yl)oxy]oxan-2-yl}methyl (2E)-3-phenylprop-2-enoate

hmdb:HMDB41098 		secondary/obsolete/fantasy identifier