Chem
J-GLOBAL ID：200907048732453302   Nikkaji number：J991.759D

p-Hydroxybenzyldesulphoglucosinolate

α-(ヒドロキシイミノ)-4-ヒドロキシフェネチル1-チオ-β-D-グルコピラノシド
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： C14H19NO7S
Molecular formula furigana： C14-H19-N-O7-S
Molecular weight： 345.370
InChI： InChI=1S/C14H19NO7S/c16-6-9-11(18)12(19)13(20)14(22-9)23-10(15-21)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-21H,5-6H2/t9-,11-,12+,13-,14+/m1/s1
InChI key： SOUNOQPUSGGIJJ-LPUQOGTASA-N
SMILES： OC[C@H]1O[C@@H](SC(=NO)Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (4)：
  • 1-(β-D-グルコピラノシルチオ)-2-(4-ヒドロキシフェニル)エタノンオキシム
  • α-(ヒドロキシイミノ)-4-ヒドロキシフェネチル1-チオ-β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-{[1-(ヒドロキシイミノ)-2-(4-ヒドロキシフェニル)エチル]スルファニル}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[1-(hydroxyimino)-2-(4-hydroxyphenyl)ethyl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • 1-(β-D-Glucopyranosylthio)-2-(4-hydroxyphenyl)ethanoneoxime
  • α-(Hydroxyimino)-4-hydroxyphenethyl 1-thio-β-D-glucopyranoside
  • p-Hydroxybenzyldesulphoglucosinolate
KEGG COMPOUND： C17240
Thsaurus map：
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