Chem
J-GLOBAL ID：200907094827215834   Nikkaji number：J107.415F

Marein

マレイン
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： C21H22O11
Molecular formula furigana： C21-H22-O11
Molecular weight： 450.396
InChI： InChI=1S/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2/b4-1+/t15-,18-,19+,20-,21-/m1/s1
InChI key： XGEYXJDOVMEJNG-HTFDPZBKSA-N
SMILES： OC[C@H]1O[C@@H](Oc2ccc(C(=O)/C=C/c3ccc(O)c(O)c3)c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (E)-4′-(β-D-グルコピラノシルオキシ)-2′,3,3′,4-テトラヒドロキシカルコン
  • (2E)-1-(2,3-ジヒドロキシ-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)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エン-1-オン
  • (2E)-1-(2,3-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Other name (3)：
  • マレイン
  • Marein
  • (E)-4′-(β-D-Glucopyranosyloxy)-2′,3,3′,4-tetrahydroxychalcone
CAS registry number： 535-96-6
Regulation number (1)：
  • EINECS2086231
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