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HMDBOA-glucoside

PropertiesImage
MNX_IDMNXM18506 Image of MNXM18506
referencechebi:173102
formulaC16H21NO10
global charge0
mol weight387.341
InChIKeyUOASSFRPBORTCT-VUKMKVSNSA-N
InChIInChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3/t10-,11-,12+,13-,15+,16?/m1/s1
SMILESCOC1=CC2=C(C=C1)N(OC)C(=O)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2
MNX internals
InChI (mnx)InChI=1/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3/t10-,11-,12+,13-,15+,16?/m1/s1 Image of MNXM18506
SMILES (mnx)[CH3:1][O:23][C:7]1=[CH:5][C:9]2=[C:8]([CH:4]=[CH:3]1)[N:17]([O:24][CH3:2])[C:14](=[O:22])[CH:16]([O:27][C@H:15]1[C@H:13]([OH:21])[C@@H:12]([OH:20])[C@H:11]([OH:19])[C@@H:10]([CH2:6][OH:18])[O:26]1)[O:25]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:173102
chebi:173102
UOASSFRPBORTCT-VUKMKVSNSA-N 		HMDBOA-glucoside
4,7-dimethoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one

seed.compound:cpd24637
seedM:cpd24637
UOASSFRPBORTCT-VUKMKVSNSA-N 		2-(2-hydroxy-7-methoxy-1,4-benzoxazin-3-one)-beta-D-glucopyranose
HMDBOA-Glc
HMDBOA-glucoside

metacyc.compound:CPD-6561
metacycM:CPD-6561
UOASSFRPBORTCT-VUKMKVSNSA-N 		HMDBOA-glucoside
2-(2-hydroxy-7-methoxy-1,4-benzoxazin-3-one)-beta-D-glucopyranose
HDMBOA-Glc
HMDBOA-Glc

seedM:M_cpd24637 		secondary/obsolete/fantasy identifier