Chem
J-GLOBAL ID:200907020555579846   Nikkaji number:J679.803I

ABA-GE

アブシシン酸グルコース
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: C21H30O9
Molecular formula furigana: C21-H30-O9
Molecular weight: 426.462
InChI: InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1
InChI key: HLVPIMVSSMJFPS-VTEUUMMASA-N
SMILES: C/C(=C/C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C=C/[C@@]1(O)C(=CC(=O)CC1(C)C)C
Systematic name  (9):
  • [(2Z,4E)-1-オキソ-3-メチル-5-[(1S)-1-ヒドロキシ-2,6,6-トリメチル-4-オキソ-2-シクロヘキセニル]-2,4-ペンタジエニル]β-D-グルコピラノシド
  • (2Z,4E)-3-メチル-5-[(1S)-1α-ヒドロキシ-2,6,6-トリメチル-4-オキソ-2-シクロヘキセン-1-イル]-2,4-ペンタジエン酸β-D-グルコピラノシル
  • (2Z,4E)-5-[(S)-1-ヒドロキシ-2,6,6-トリメチル-4-オキソ-2-シクロヘキセニル]-3-メチル-2,4-ペンタジエン酸β-D-グルコピラノシル
  • (2Z,4E)-3-メチル-5-[(S)-1α-ヒドロキシ-2,6,6-トリメチル-4-オキソ-2-シクロヘキセニル]-2,4-ペンタジエン酸β-D-グルコピラノシル
  • [(2Z,4E)-1-オキソ-3-メチル-5-[(1S)-1α-ヒドロキシ-2,6,6-トリメチル-4-オキソ-2-シクロヘキセン-1β-イル]-2,4-ペンタジエニル]β-D-グルコピラノシド
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Other name (15):
  • [(2Z,4E)-1-Oxo-3-methyl-5-[(1S)-1α-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1β-yl]-2,4-pentadienyl]β-D-glucopyranoside
  • (2Z,4E)-3-Methyl-5-[(S)-1α-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexenyl]-2,4-pentadienoic acid β-D-glucopyranosyl ester
  • アブシシン酸β-D-グルコシル
  • β-D-Glucosyl abscisate
  • (2Z,4E)-5-[(S)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexenyl]-3-methyl-2,4-pentadienoic acid β-D-glucopyranosyl ester
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KEGG COMPOUND: C15970
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