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2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside

PropertiesImage
MNX_IDMNXM116397 Image of MNXM116397
referencechebi:169624
formulaC16H21NO11
global charge0
mol weight403.34
InChIKeyCFUFRWCJGZYVHK-UHFFFAOYSA-N
InChIInChI=1S/C16H21NO11/c1-24-7-4-3-6-12(13(7)25-2)27-16(14(22)17(6)23)28-15-11(21)10(20)9(19)8(5-18)26-15/h3-4,8-11,15-16,18-21,23H,5H2,1-2H3
SMILESCOC1=C(OC)C2=C(C=C1)N(O)C(=O)C(OC1OC(CO)C(O)C(O)C1O)O2
MNX internals
InChI (mnx)InChI=1/C16H21NO11/c1-24-7-4-3-6-12(13(7)25-2)27-16(14(22)17(6)23)28-15-11(21)10(20)9(19)8(5-18)26-15/h3-4,8-11,15-16,18-21,23H,5H2,1-2H3/t8?,9?,10?,11?,15?,16? Image of MNXM116397
SMILES (mnx)[CH3:1][O:24][C:7]1=[C:13]([O:25][CH3:2])[C:12]2=[C:6]([CH:3]=[CH:4]1)[N:17]([OH:23])[C:14](=[O:22])[CH:16]([O:28][CH:15]1[CH:11]([OH:21])[CH:10]([OH:20])[CH:9]([OH:19])[CH:8]([CH2:5][OH:18])[O:26]1)[O:27]2
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:169624
chebi:169624
CFUFRWCJGZYVHK-UHFFFAOYSA-N 		2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside
4-hydroxy-7,8-dimethoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one
hmdb:HMDB0037550
CFUFRWCJGZYVHK-UHFFFAOYSA-N 		2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside
4-hydroxy-7,8-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1,4-benzoxazin-3-one
4-hydroxy-7,8-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one

hmdb:HMDB37550 		secondary/obsolete/fantasy identifier