Search MNXref
 Feedback

1-O-(4-hydroxy-3-methoxybenzoyl)-beta-D-glucose

PropertiesImage
MNX_IDMNXM97184 Image of MNXM97184
referencechebi:71512
formulaC14H18O9
global charge0
mol weight330.289
InChIKeyYROOZUQRTLHXIO-DIACKHNESA-N
InChIInChI=1S/C14H18O9/c1-21-8-4-6(2-3-7(8)16)13(20)23-14-12(19)11(18)10(17)9(5-15)22-14/h2-4,9-12,14-19H,5H2,1H3/t9-,10-,11+,12-,14+/m1/s1
SMILESCOC1=C(O)C=CC(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1
MNX internals
InChI (mnx)InChI=1/C14H18O9/c1-21-8-4-6(2-3-7(8)16)13(20)23-14-12(19)11(18)10(17)9(5-15)22-14/h2-4,9-12,14-19H,5H2,1H3/t9-,10-,11+,12-,14+/m1/s1 Image of MNXM97184
SMILES (mnx)[CH3:1][O:21][C:8]1=[C:7]([OH:16])[CH:3]=[CH:2][C:6]([C:13](=[O:20])[O:23][C@H:14]2[C@H:12]([OH:19])[C@@H:11]([OH:18])[C@H:10]([OH:17])[C@@H:9]([CH2:5][OH:15])[O:22]2)=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71512
chebi:71512
YROOZUQRTLHXIO-DIACKHNESA-N 		1-O-(4-hydroxy-3-methoxybenzoyl)-beta-D-glucose
1-O-(4-hydroxy-3-methoxybenzoyl)-beta-D-glucopyranose
1-O-vanilloyl-beta-D-glucose

sabiork.compound:30195
sabiorkM:30195
kegg.compound:C20470
keggC:C20470
YROOZUQRTLHXIO-DIACKHNESA-N 		1-O-Vanilloyl-beta-D-glucose

seed.compound:cpd31120
seedM:cpd31120
YROOZUQRTLHXIO-DIACKHNESA-N 		1-O-Vanilloyl-beta-D-glucose
1-O-vanilloyl-beta-D-glucose

metacyc.compound:CPD-15006
metacycM:CPD-15006
YROOZUQRTLHXIO-DIACKHNESA-N 		1-O-vanilloyl-beta-D-glucose
hmdb:HMDB0302470
YROOZUQRTLHXIO-DIACKHNESA-N 		Vanilloyl glucose
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxy-3-methoxybenzoate
1-O-(4-Hydroxy-3-methoxybenzoyl)-b-D-glucose
1-O-(4-Hydroxy-3-methoxybenzoyl)-beta-D-glucose
1-O-Vanilloyl-b-D-glucose
1-O-Vanilloyl-beta-D-glucose

keggC:M_C20470
seedM:M_cpd31120 		secondary/obsolete/fantasy identifier