Chem
J-GLOBAL ID：200907004520126665   Nikkaji number：J1.954.476A

(1E,6E)-1-[4-(β-D-Glucopyranosyloxy)phenyl]-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione

(1E,6E)-1-[4-(β-D-グルコピラノシルオキシ)フェニル]-7-(4-ヒドロキシフェニル)-1,6-ヘプタジエン-3,5-ジオン
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： C25H26O9
Molecular formula furigana： C25-H26-O9
Molecular weight： 470.474
InChI： InChI=1S/C25H26O9/c26-14-21-22(30)23(31)24(32)25(34-21)33-20-11-5-16(6-12-20)4-10-19(29)13-18(28)9-3-15-1-7-17(27)8-2-15/h1-12,21-27,30-32H,13-14H2/b9-3+,10-4+/t21-,22-,23+,24-,25-/m1/s1
InChI key： KAUPKWIKYFBMCA-AGNGZURDSA-N
SMILES： OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)CC(=O)/C=C/c3ccc(O)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (1E,6E)-1-[4-(β-D-グルコピラノシルオキシ)フェニル]-7-(4-ヒドロキシフェニル)-1,6-ヘプタジエン-3,5-ジオン
  • (1E,6E)-1-(4-ヒドロキシフェニル)-7-(4-{[(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}フェニル)ヘプタ-1,6-ジエン-3,5-ジオン
  • (1E,6E)-1-(4-hydroxyphenyl)-7-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)hepta-1,6-diene-3,5-dione
Other name (1)：
  • (1E,6E)-1-[4-(β-D-Glucopyranosyloxy)phenyl]-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione
Thsaurus map：
Thesaurus Map

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