Chem
J-GLOBAL ID：200907037680670570   Nikkaji number：J17.231F

Isomangiferin

イソマンギフェリン
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： C19H18O11
Molecular formula furigana： C19-H18-O11
Molecular weight： 422.342
InChI： InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2/t11-,15-,16+,17-,19+/m1/s1
InChI key： CDYBOKJASDEORM-HBVDJMOISA-N
SMILES： OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc1cc(O)c(O)cc1c2=O
Systematic name  (3)：
  • 4-(β-D-グルコピラノシル)-1,3,6,7-テトラヒドロキシ-9H-キサンテン-9-オン
  • 1,3,6,7-テトラヒドロキシ-4-[(2S,3R,4R,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]-9H-キサンテン-9-オン
  • 1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one
Other name (3)：
  • イソマンギフェリン
  • Isomangiferin
  • 4-(β-D-Glucopyranosyl)-1,3,6,7-tetrahydroxy-9H-xanthen-9-one
CAS registry number： 24699-16-9
KEGG COMPOUND： C16979
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