Chem
J-GLOBAL ID：200907082741336339   Nikkaji number：J113.633J

Mullein

ムレイン
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： C10H10O3
Molecular formula furigana： C10-H10-O3
Molecular weight： 178.187
InChI： InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3
InChI key： KWILGNNWGSNMPA-UHFFFAOYSA-N
SMILES： CC1Cc2cccc(O)c2C(=O)O1
Systematic name  (5)：
  • 3,4-ジヒドロ-8-ヒドロキシ-3-メチル-1H-2-ベンゾピラン-1-オン
  • 3,4-ジヒドロ-8-ヒドロキシ-3-メチルイソクマリン
  • 3-メチル-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-1-オン
  • 8-ヒドロキシ-3-メチル-3,4-ジヒドロ-1H-2-ベンゾピラン-1-オン
  • 8-hydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one
Other name (6)：
  • 3,4-Dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one
  • 3,4-Dihydro-8-hydroxy-3-methylisocoumarin
  • 3-Methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one
  • 8-Hydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one
  • ムレイン
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CAS registry number： 17397-85-2
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