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DIMBOA beta-D-glucoside

PropertiesImage
MNX_IDMNXM7309 Image of MNXM7309
referencechebi:37573
formulaC15H19NO10
global charge0
mol weight373.314
InChIKeyWTGXAWKVZMQEDA-XFWGRBSCSA-N
InChIInChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15-/m1/s1
SMILESCOC1=CC2=C(C=C1)N(O)C(=O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2
MNX internals
InChI (mnx)InChI=1/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15-/m1/s1 Image of MNXM7309
SMILES (mnx)[CH3:1][O:23][C:6]1=[CH:4][C:8]2=[C:7]([CH:3]=[CH:2]1)[N:16]([OH:22])[C:13](=[O:21])[C@@H:15]([O:26][C@H:14]1[C@H:12]([OH:20])[C@@H:11]([OH:19])[C@H:10]([OH:18])[C@@H:9]([CH2:5][OH:17])[O:25]1)[O:24]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:37573
chebi:37573
WTGXAWKVZMQEDA-XFWGRBSCSA-N 		DIMBOA beta-D-glucoside
(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one
(2R)-4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
(2R)-DIMBOA glucoside
DIMBOA glucoside

seed.compound:cpd19169
seedM:cpd19169
WTGXAWKVZMQEDA-XFWGRBSCSA-N 		(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one
DIMBOA glucoside

seed.compound:cpd24638
seedM:cpd24638
WTGXAWKVZMQEDA-XGHDNVSXSA-N 		(2R)-4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
DIMBOA-Glc
DIMBOA-beta-D-glucoside

seed.compound:cpd02934
seedM:cpd02934
WTGXAWKVZMQEDA-XGHDNVSXSA-N 		DIMBOA glucoside
(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4- benzoxazin-3(4H)-one
2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one glucoside
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-D-glucoside
DIMBOA-glucoside

sabiork.compound:7603
sabiorkM:7603
WTGXAWKVZMQEDA-XFWGRBSCSA-N 		DIMBOA glucoside
2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one glucoside
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-D-glucoside

CHEBI:16603
chebi:16603
WTGXAWKVZMQEDA-XGHDNVSXSA-N 		DIMBOA glucoside
2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one glucoside
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-D-glucoside
4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside

metacyc.compound:CPD-6562
metacycM:CPD-6562
WTGXAWKVZMQEDA-XGHDNVSXSA-N 		DIMBOA-beta-D-glucoside
(2R)-4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
DIMBOA-Glc

kegg.compound:C04831
keggC:C04831
WTGXAWKVZMQEDA-XFWGRBSCSA-N 		DIMBOA-glucoside
(2R)-4-Hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one glucoside
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-D-glucoside
hmdb:HMDB0301843
WTGXAWKVZMQEDA-XFWGRBSCSA-N 		Dimboa glucoside
(2R)-2-b-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one
(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one
(2R)-2-beta-D-glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one
(2R)-4-hydroxy-7-methoxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one
DIMBOA b-D-glucoside
DIMBOA beta-D-glucoside
DIMBOA glucoside
dimboa beta-D-glucoside

chebi:11443
chebi:19355
chebi:4287
chebi:914
keggC:M_C04831
seedM:M_cpd02934
seedM:M_cpd19169
seedM:M_cpd24638 		secondary/obsolete/fantasy identifier