Chem
J-GLOBAL ID：200907063823347814   Nikkaji number：J2.097.882A

Phyllodulcin 3′-O-sulfate

フィロズルシン3′-O-スルファート
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： C16H14O8S
Molecular formula furigana： C16-H14-O8-S
Molecular weight： 366.340
InChI： InChI=1S/C16H14O8S/c1-22-12-6-5-9(7-14(12)24-25(19,20)21)13-8-10-3-2-4-11(17)15(10)16(18)23-13/h2-7,13,17H,8H2,1H3,(H,19,20,21)/t13-/m1/s1
InChI key： YEYKWJZJEDQBQH-CYBMUJFWSA-N
SMILES： COc1ccc(cc1OS(=O)(=O)O)[C@H]1Cc2cccc(O)c2C(=O)O1
Systematic name  (3)：
  • (3R)-3β-(3-スルホオキシ-4-メトキシフェニル)-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-1-オン
  • {5-[(3R)-8-ヒドロキシ-1-オキソ-3,4-ジヒドロ-1H-2-ベンゾピラン-3-イル]-2-メトキシフェニル}オキシダンスルホン酸
  • {5-[(3R)-8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-2-methoxyphenyl}oxidanesulfonic acid
Other name (3)：
  • (3R)-3β-(3-Sulfooxy-4-methoxyphenyl)-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one
  • フィロズルシン3′-O-スルファート
  • Phyllodulcin 3′-O-sulfate
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