Chem
J-GLOBAL ID：200907093840269793   Nikkaji number：J460.643D

Isoliquiritin apioside

イソリキリチンアピオシド
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： C26H30O13
Molecular formula furigana： C26-H30-O13
Molecular weight： 550.513
InChI： InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+/t19-,20-,21+,22-,23+,24-,25+,26-/m1/s1
InChI key： VMMVZVPAYFZNBM-KVFWHIKKSA-N
SMILES： OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)c3ccc(O)cc3O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (E)-1-(2,4-ジヒドロキシフェニル)-3-[4-[2-O-D-アピオ-β-D-フラノシル-β-D-グルコピラノシルオキシ]フェニル]-2-プロペン-1-オン
  • (2E)-3-(4-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-ジヒドロキシ-4-(ヒドロキシメチル)オキソラン-2-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}フェニル)-1-(2,4-ジヒドロキシフェニル)プロパ-2-エン-1-オン
  • (2E)-3-(4-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
Other name (5)：
  • アピオイソリキリチン
  • Apioisoliquiritin
  • (E)-1-(2,4-Dihydroxyphenyl)-3-[4-[2-O-D-apio-β-D-furanosyl-β-D-glucopyranosyloxy]phenyl]-2-propen-1-one
  • イソリキリチンアピオシド
  • Isoliquiritin apioside
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