Chem
J-GLOBAL ID：200907074353443554   Nikkaji number：J2.215.597K

(1E,4Z,6E)-1-(4-Hydroxyphenyl)-7-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-1,4,6-heptatriene-3-one

(1E,4Z,6E)-1-(4-ヒドロキシフェニル)-7-[4-(β-D-グルコピラノシルオキシ)フェニル]-5-ヒドロキシ-1,4,6-ヘプタトリエン-3-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/h1-13,21-27,29-32H,14H2/b9-3+,10-4+,19-13-/t21-,22-,23+,24-,25-/m1/s1
InChI key： USQIYFFDPKLQHF-BCIFRWKXSA-N
SMILES： OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=C/C(=O)/C=C/c3ccc(O)cc3)/O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (1E,4Z,6E)-1-(4-ヒドロキシフェニル)-7-[4-(β-D-グルコピラノシルオキシ)フェニル]-5-ヒドロキシ-1,4,6-ヘプタトリエン-3-オン
  • (1E,4Z,6E)-5-ヒドロキシ-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-1,4,6-トリエン-3-オン
  • (1E,4Z,6E)-5-hydroxy-1-(4-hydroxyphenyl)-7-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)hepta-1,4,6-trien-3-one
Other name (1)：
  • (1E,4Z,6E)-1-(4-Hydroxyphenyl)-7-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-1,4,6-heptatriene-3-one
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM