Chem
J-GLOBAL ID：200907052531546954   Nikkaji number：J2.710.715J

2-(β-D-Glucopyranosyloxy)-4,7-dihydroxy-4H-1,4-benzooxazine-3(2H)-one

2-(β-D-グルコピラノシルオキシ)-4,7-ジヒドロキシ-4H-1,4-ベンゾオキサジン-3(2H)-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C14H17NO10
Molecular formula furigana： C14-H17-N-O10
Molecular weight： 359.287
InChI： 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
InChI key： YCPMEKOJGFYFJJ-BJPDSMLBSA-N
SMILES： OC[C@H]1O[C@@H](OC2Oc3cc(O)ccc3N(O)C2=O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 2-(β-D-グルコピラノシルオキシ)-4,7-ジヒドロキシ-4H-1,4-ベンゾオキサジン-3(2H)-オン
  • 4,7-ジヒドロキシ-2-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3,4-ジヒドロ-2H-1,4-ベンゾオキサジン-3-オン
  • 4,7-dihydroxy-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
Other name (1)：
  • 2-(β-D-Glucopyranosyloxy)-4,7-dihydroxy-4H-1,4-benzooxazine-3(2H)-one
KEGG COMPOUND： C18062
Thsaurus map：
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