Chem
J-GLOBAL ID：200907090002006854   Nikkaji number：J2.772.111G

Demethylbatatasin IV

デメチルバタタシンIV
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： C14H14O3
Molecular formula furigana： C14-H14-O3
Molecular weight： 230.263
InChI： InChI=1S/C14H14O3/c15-12-7-10(8-13(16)9-12)5-6-11-3-1-2-4-14(11)17/h1-4,7-9,15-17H,5-6H2
InChI key： QNLYZTMYRVYPMN-UHFFFAOYSA-N
SMILES： Oc1cc(O)cc(CCc2ccccc2O)c1
Systematic name  (3)：
  • 5-(2-ヒドロキシフェネチル)-1,3-ベンゼンジオール
  • 5-[2-(2-ヒドロキシフェニル)エチル]ベンゼン-1,3-ジオール
  • 5-[2-(2-hydroxyphenyl)ethyl]benzene-1,3-diol
Other name (3)：
  • 5-(2-Hydroxyphenethyl)-1,3-benzenediol
  • Demethylbatatasin IV
  • デメチルバタタシンIV
CAS registry number： 113276-63-4
KEGG COMPOUND： C10253
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