Chem
J-GLOBAL ID：200907085227048587   Nikkaji number：J2.313.820D

Epitheaflagallin

エピテアフラガリン
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： C20H16O9
Molecular formula furigana： C20-H16-O9
Molecular weight： 400.339
InChI： InChI=1S/C20H16O9/c21-9-4-11(22)10-6-14(25)20(29-15(10)5-9)8-1-7-2-13(24)18(27)19(28)16(7)17(26)12(23)3-8/h1-5,14,20-22,24-25,27-28H,6H2,(H,23,26)/t14-,20-/m1/s1
InChI key： KOXRJHMEFYNYME-JLTOFOAXSA-N
SMILES： O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(=O)c2c(O)c(O)c(O)cc2c1
Systematic name  (3)：
  • 2,3,4,6-テトラヒドロキシ-8-[(2R,3R)-3,5,7-トリヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-2-イル]-5H-ベンゾシクロヘプテン-5-オン
  • 2,3,4,6-テトラヒドロキシ-8-[(2R,3R)-3,5,7-トリヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-2-イル]-5H-ベンゾ[7]アンヌレン-5-オン
  • 2,3,4,6-tetrahydroxy-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-5-one
Other name (3)：
  • 2,3,4,6-Tetrahydroxy-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzocycloheptene-5-one
  • エピテアフラガリン
  • Epitheaflagallin
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