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Patent using the Chemical Substance

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Chem
J-GLOBAL ID:200907087346386396   Nikkaji number:J9.587G

Sinigrin

シニグリン
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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: C10H16KNO9S2
Molecular formula furigana: C10-H16-K-N-O9-S2
Molecular weight: 397.450
InChI: InChI=1S/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1/t5-,7-,8+,9-,10+;/m1./s1
InChI key: QKFAFSGJTMHRRY-XNTWFIRCSA-M
SMILES: OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O[K])CC=C)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (4):
  • 1-チオ-β-D-グルコピラノース1-[N-(ポタシオスルホオキシ)-3-ブテンイミダート]
  • 1-チオ-β-D-グルコピラノース1-[N-(ポタシオオキシスルホニルオキシ)-3-ブテンイミダート]
  • カリウム (1-{[(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]スルファニル}ブタ-3-エン-1-イリデン)アミノ スルファート
  • potassium (1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}but-3-en-1-ylidene)amino sulfate
Other name (8):
  • シニグリン
  • シニグロシド
  • ミロン酸カリウム
  • Sinigrin
  • Sinigroside
Show all
CAS registry number: 3952-98-5
Regulation number (2):
  • LZ5778000
  • EINECS2235458
KEGG COMPOUND: C08427
Thsaurus map:
Related Article, Patent and Research Project:
Articles(520)Patents(8)Research Projects(0)0102030(numbers)
Articles(520)Patents(8)Research Projects(0)
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