Search MNXref
 Feedback

DIBOA beta-D-glucoside

PropertiesImage
MNX_IDMNXM730511 Image of MNXM730511
referencechebi:63670
formulaC14H17NO9
global charge0
mol weight343.288
InChIKeyOUSLYTBGQGKTME-TWTZXXGESA-N
InChIInChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2/t8-,9-,10+,11-,13+,14-/m1/s1
SMILESO=C1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC2=C(C=CC=C2)N1O
MNX internals
InChI (mnx)InChI=1/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2/t8-,9-,10+,11-,13+,14-/m1/s1 Image of MNXM730511
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:7]2[C:6](=[CH:3]1)[N:15]([OH:21])[C:12](=[O:20])[C@@H:14]([O:24][C@H:13]1[C@H:11]([OH:19])[C@@H:10]([OH:18])[C@H:9]([OH:17])[C@@H:8]([CH2:5][OH:16])[O:23]1)[O:22]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63670
chebi:63670
OUSLYTBGQGKTME-TWTZXXGESA-N 		DIBOA beta-D-glucoside
(2R)-4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
(R)-DIBOA beta-D-glucoside

seed.compound:cpd24055
seedM:cpd24055
OUSLYTBGQGKTME-BJPDSMLBSA-N 		(2R)-4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
DIBOA-Glc
DIBOA-beta-D-glucoside

sabiork.compound:23639
sabiorkM:23639
OUSLYTBGQGKTME-BJPDSMLBSA-N 		DIBOA glucoside
2,4-Dihydroxy-1,4-benzoxazin-3-one glucoside
2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one 2-D-glucoside

metacyc.compound:CPD-13811
metacycM:CPD-13811
OUSLYTBGQGKTME-BJPDSMLBSA-N 		DIBOA-beta-D-glucoside
(2R)-4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
DIBOA-Glc

kegg.compound:C15772
keggC:C15772
OUSLYTBGQGKTME-TWTZXXGESA-N 		DIBOA-glucoside
(2R)-4-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
2,4-Dihydroxy-1,4-benzoxazin-3-one glucoside

CHEBI:80091
chebi:80091
OUSLYTBGQGKTME-BJPDSMLBSA-N 		DIBOA-glucoside
2,4-Dihydroxy-1,4-benzoxazin-3-one glucoside

seed.compound:cpd11413
seedM:cpd11413
OUSLYTBGQGKTME-BJPDSMLBSA-N 		DIBOA-glucoside
2,4-Dihydroxy-1,4-benzoxazin-3-one glucoside
2-(2,4-dihydroxy-1,4-benzoxazin-3-one)-beta-D-glucopyranose

keggC:M_C15772
seedM:M_cpd11413
seedM:M_cpd24055 		secondary/obsolete/fantasy identifier