Chem
J-GLOBAL ID：200907027634933730   Nikkaji number：J435.287D

Glucohirsutin

グルコヒルスチン
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： C16H31NO10S3
Molecular formula furigana： C16-H31-N-O10-S3
Molecular weight： 493.600
InChI： InChI=1S/C16H31NO10S3/c1-29(22)9-7-5-3-2-4-6-8-12(17-27-30(23,24)25)28-16-15(21)14(20)13(19)11(10-18)26-16/h11,13-16,18-21H,2-10H2,1H3,(H,23,24,25)/t11-,13-,14+,15-,16+,29?/m1/s1
InChI key： GPMDJOOLATZDQL-AOUBEFMNSA-N
SMILES： CS(=O)CCCCCCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 9-(メチルスルフィニル)-N-(スルホオキシ)ノナンイミドチオ酸S-(β-D-グルコピラノシル)
  • {[(9-メタンスルフィニル-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}ノニリデン)アミノ]オキシ}スルホン酸
  • {[(9-methanesulfinyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}nonylidene)amino]oxy}sulfonic acid
Other name (3)：
  • グルコヒルスチン
  • Glucohirsutin
  • 9-(Methylsulfinyl)-N-(sulfooxy)nonanimidothioic acid S-(β-D-glucopyranosyl) ester
CAS registry number： 21973-60-4
KEGG COMPOUND： C17271
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