Chem
J-GLOBAL ID：200907035023934440   Nikkaji number：J2.308.622K

Polygonimitin B

ポリゴニミチンB
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： C21H22O9
Molecular formula furigana： C21-H22-O9
Molecular weight： 418.398
InChI： InChI=1S/C21H22O9/c1-8-3-11-12(4-9(8)2)28-13-5-10(23)6-14(16(13)17(11)24)29-21-20(27)19(26)18(25)15(7-22)30-21/h3-6,15,18-23,25-27H,7H2,1-2H3/t15-,18-,19+,20-,21-/m1/s1
InChI key： WMAOOSUVFZELAH-CMWLGVBASA-N
SMILES： Cc1cc2oc3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c(=O)c2cc1C
Systematic name  (3)：
  • 1-(β-D-グルコピラノシルオキシ)-3-ヒドロキシ-6,7-ジメチル-9H-キサンテン-9-オン
  • 3-ヒドロキシ-6,7-ジメチル-1-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-9H-キサンテン-9-オン
  • 3-hydroxy-6,7-dimethyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-one
Other name (3)：
  • 1-(β-D-Glucopyranosyloxy)-3-hydroxy-6,7-dimethyl-9H-xanthene-9-one
  • ポリゴニミチンB
  • Polygonimitin B
KEGG COMPOUND： C17809
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Thesaurus Map

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