Chem
J-GLOBAL ID:200907087346386396
Nikkaji number:J9.587G Sinigrin シニグリン
Download MOL file 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: C10 H16 KNO9 S2 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
Potassium myronate 1-Thio-β-D-glucopyranose 1-[N-(potassiosulfooxy)-3-butenimidate] 1-Thio-β-D-glucopyranose 1-[N-(potassiooxysulfonyloxy)-3-butenimidate] Show all
CAS registry number:
3952-98-5
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