Chem
J-GLOBAL ID：200907090802247582   Nikkaji number：J14.984E

Isookanin

イソオカニン
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： C15H12O6
Molecular formula furigana： C15-H12-O6
Molecular weight： 288.255
InChI： InChI=1S/C15H12O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-5,13,16-17,19-20H,6H2/t13-/m0/s1
InChI key： ZPVNWCMRCGXRJD-ZDUSSCGKSA-N
SMILES： Oc1ccc(cc1O)[C@@H]1CC(=O)c2ccc(O)c(O)c2O1
Systematic name  (3)：
  • (S)-2-(3,4-ジヒドロキシフェニル)-2,3-ジヒドロ-7,8-ジヒドロキシ-4H-1-ベンゾピラン-4-オン
  • (2S)-2-(3,4-ジヒドロキシフェニル)-7,8-ジヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
  • (2S)-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
Other name (3)：
  • イソオカニン
  • Isookanin
  • (S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7,8-dihydroxy-4H-1-benzopyran-4-one
CAS registry number： 1036-49-3
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