Chem
J-GLOBAL ID：200907049116666285   Nikkaji number：J10.620H

Nodakenin

ノダケニン
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： C20H24O9
Molecular formula furigana： C20-H24-O9
Molecular weight： 408.403
InChI： InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3/t13-,14-,16-,17+,18-,19+/m1/s1
InChI key： HXCGUCZXPFBNRD-DNLMCPORSA-N
SMILES： CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1
Systematic name  (3)：
  • (R)-2-[1-(β-D-グルコピラノシルオキシ)-1-メチルエチル]-2,3-ジヒドロ-7H-フロ[3,2-g][1]ベンゾピラン-7-オン
  • (2R)-2-(2-{[(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}プロパン-2-イル)-2H,3H,7H-フロ[3,2-g]クロメン-7-オン
  • (2R)-2-(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one
Other name (3)：
  • ノダケニン
  • Nodakenin
  • (R)-2-[1-(β-D-Glucopyranosyloxy)-1-methylethyl]-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
CAS registry number： 495-31-8
KEGG COMPOUND： C09279
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