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TRIBOA beta-D-glucoside

PropertiesImage
MNX_IDMNXM730523 Image of MNXM730523
referencechebi:63671
formulaC14H17NO10
global charge0
mol weight359.287
InChIKeyYCPMEKOJGFYFJJ-TWTZXXGESA-N
InChIInChI=1S/C14H17NO10/c16-4-8-9(18)10(19)11(20)13(24-8)25-14-12(21)15(22)6-2-1-5(17)3-7(6)23-14/h1-3,8-11,13-14,16-20,22H,4H2/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(O)=C2)N1O
MNX internals
InChI (mnx)InChI=1/C14H17NO10/c16-4-8-9(18)10(19)11(20)13(24-8)25-14-12(21)15(22)6-2-1-5(17)3-7(6)23-14/h1-3,8-11,13-14,16-20,22H,4H2/t8-,9-,10+,11-,13+,14-/m1/s1 Image of MNXM730523
SMILES (mnx)[CH:1]1=[CH:2][C:6]2=[C:7]([CH:3]=[C:5]1[OH:17])[O:23][C@H:14]([O:25][C@H:13]1[C@H:11]([OH:20])[C@@H:10]([OH:19])[C@H:9]([OH:18])[C@@H:8]([CH2:4][OH:16])[O:24]1)[C:12](=[O:21])[N:15]2[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63671
chebi:63671
YCPMEKOJGFYFJJ-TWTZXXGESA-N 		TRIBOA beta-D-glucoside
(2R)-4,7-dihydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
(R)-TRIBOA beta-D-glucoside

seed.compound:cpd24056
seedM:cpd24056
YCPMEKOJGFYFJJ-BJPDSMLBSA-N 		(2R)-4,7-dihydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
TRIBOA-beta-D-glucoside

sabiork.compound:29846
sabiorkM:29846
YCPMEKOJGFYFJJ-BJPDSMLBSA-N 		TRIBOA glucoside
2,4,7-Trihydroxy-2H-1,4-benzoxazin-3(4H)-one-glc

metacyc.compound:CPD-13812
metacycM:CPD-13812
YCPMEKOJGFYFJJ-BJPDSMLBSA-N 		TRIBOA-beta-D-glucoside
(2R)-4,7-dihydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside

kegg.compound:C18062
keggC:C18062
YCPMEKOJGFYFJJ-TWTZXXGESA-N 		TRIBOA-glucoside
(2R)-4,7-Dihydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
2,4,7-Trihydroxy-1,4-benzoxazin-3-one-glucoside
2,4,7-Trihydroxy-2H-1,4-benzoxazin-3(4H)-one-glucoside

seed.compound:cpd18045
seedM:cpd18045
CHEBI:81477
chebi:81477
YCPMEKOJGFYFJJ-BJPDSMLBSA-N 		TRIBOA-glucoside
2,4,7-Trihydroxy-1,4-benzoxazin-3-one-glucoside
2,4,7-Trihydroxy-2H-1,4-benzoxazin-3(4H)-one-glucoside

keggC:M_C18062
seedM:M_cpd18045
seedM:M_cpd24056 		secondary/obsolete/fantasy identifier