Chem
J-GLOBAL ID：200907053192112873   Nikkaji number：J2.097.883J

Phyllodulcin 3′-O-β-glucuronide

フィロズルシン3′-O-β-グルクロニド
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： C22H22O11
Molecular formula furigana： C22-H22-O11
Molecular weight： 462.407
InChI： InChI=1S/C22H22O11/c1-30-12-6-5-9(13-8-10-3-2-4-11(23)15(10)21(29)31-13)7-14(12)32-22-18(26)16(24)17(25)19(33-22)20(27)28/h2-7,13,16-19,22-26H,8H2,1H3,(H,27,28)/t13-,16+,17+,18-,19+,22-/m1/s1
InChI key： GZIKQVZOPMIRMI-WEYBRJQASA-N
SMILES： COc1ccc(cc1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)[C@H]1Cc2cccc(O)c2C(=O)O1
Systematic name  (3)：
  • (3R)-3β-[3-(β-D-グルコピラヌロノシルオキシ)-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
  • (2S,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-{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-メトキシフェノキシ}オキサン-2-カルボン酸
  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{5-[(3R)-8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-2-methoxyphenoxy}oxane-2-carboxylic acid
Other name (3)：
  • (3R)-3β-[3-(β-D-Glucopyranuronosyloxy)-4-methoxyphenyl]-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one
  • フィロズルシン3′-O-β-グルクロニド
  • Phyllodulcin 3′-O-β-glucuronide
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