Chem
J-GLOBAL ID：200907044813160738   Nikkaji number：J624.057G

Betavulgarin

ベタブルガリン
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： C17H12O6
Molecular formula furigana： C17-H12-O6
Molecular weight： 312.277
InChI： InChI=1S/C17H12O6/c1-20-17-14-12(6-13-16(17)23-8-22-13)21-7-10(15(14)19)9-4-2-3-5-11(9)18/h2-7,18H,8H2,1H3
InChI key： NDVRQFZUJRMKKP-UHFFFAOYSA-N
SMILES： COc1c2OCOc2cc2occ(c3ccccc3O)c(=O)c12
Systematic name  (4)：
  • 5-メトキシ-6,7-(メチレンジオキシ)-2′-ヒドロキシイソフラボン
  • 7-(2-ヒドロキシフェニル)-9-メトキシ-8H-1,3-ジオキソロ[4,5-g][1]ベンゾピラン-8-オン
  • 7-(2-ヒドロキシフェニル)-9-メトキシ-2H,8H-[1,3]ジオキソロ[4,5-g]クロメン-8-オン
  • 7-(2-hydroxyphenyl)-9-methoxy-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one
Other name (3)：
  • ベタブルガリン
  • Betavulgarin
  • 7-(2-Hydroxyphenyl)-9-methoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
CAS registry number： 51068-94-1
KEGG COMPOUND： C10201
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