Chem
J-GLOBAL ID：200907034000826679   Nikkaji number：J2.608.309E

Deoxynivalenol-3-glucoside

デオキシニバレノール-3-グルコシド
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： C21H30O11
Molecular formula furigana： C21-H30-O11
Molecular weight： 458.460
InChI： InChI=1S/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3/t9-,10-,11-,13-,14+,15-,16-,17-,18-,19-,20-,21+/m1/s1
InChI key： PUMXWMGECQIOGB-SMSDQXDJSA-N
SMILES： CC1=C[C@H]2O[C@@H]3[C@@H](C[C@@](C)([C@@]43CO4)[C@@]2(CO)[C@H](O)C1=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • 3α-(β-D-グルコピラノシルオキシ)-12,13-エポキシ-7α,15-ジヒドロキシトリコテカ-9-エン-8-オン
  • 3α-(β-D-グルコピラノシルオキシ)-7α,15-ジヒドロキシ-12,13-エポキシトリコテカ-9-エン-8-オン
  • (1'R,2S,2'R,3'S,7'R,9'R,10'R)-3'-ヒドロキシ-2'-(ヒドロキシメチル)-1',5'-ジメチル-10'-{[(2R,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}-8'-オキサスピロ[オキシラン-2,12'-トリシクロ[7.2.1.02,7]ドデカン]-5'-エン-4'-オン
  • (1'R,2S,2'R,3'S,7'R,9'R,10'R)-3'-hydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-10'-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-4'-one
Other name (5)：
  • 3α-(β-D-Glucopyranosyloxy)-12,13-epoxy-7α,15-dihydroxytrichotheca-9-ene-8-one
  • デオキシニバレノール-3-グルコシド
  • Deoxynivalenol-3-glucoside
  • デオキシニバレノール3-グルコシド
  • 3α-(β-D-Glucopyranosyloxy)-7α,15-dihydroxy-12,13-epoxytrichotheca-9-ene-8-one
Thsaurus map：
Thesaurus Map

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