(Q27155404)

2,4,7-Trihydroxy-1,4-benzoxazin-3-one-glucoside (English)

9 October 2016

chemical formula

C₁₄H₁₇NO₁₀

1 reference

2,4,7-Trihydroxy-1,4-benzoxazin-3-one-glucoside (English)

9 October 2016

canonical SMILES

C1=CC2=C(C=C1O)OC(C(=O)N2O)OC3C(C(C(C(O3)CO)O)O)O

1 reference

2,4,7-Trihydroxy-1,4-benzoxazin-3-one-glucoside (English)

9 October 2016

isomeric SMILES

C1=CC2=C(C=C1O)OC(C(=O)N2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

1 reference

2,4,7-Trihydroxy-1,4-benzoxazin-3-one-glucoside (English)

InChI=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

9 October 2016

Identifiers

InChI

1 reference

2,4,7-Trihydroxy-1,4-benzoxazin-3-one-glucoside (English)

YCPMEKOJGFYFJJ-BJPDSMLBSA-N

9 October 2016

InChIKey

2 references

2,4,7-Trihydroxy-1,4-benzoxazin-3-one-glucoside (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4,7-Dihydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside (English)

9 October 2016

1 reference

2,4,7-Trihydroxy-1,4-benzoxazin-3-one-glucoside (English)

9 October 2016

ChEBI ID

81477

mapping relation type

1 reference

TRIBOA-glucoside (English)

9 October 2016

1 reference

1 reference

TRIBOA-glucoside (English)