Chem
J-GLOBAL ID:200907007295050289
Nikkaji number:J398.250E
4-Methoxyglucobrassicin
4-メトキシグルコブラッシシン
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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:
C17 H22 N2 O11 S2
Molecular formula furigana:
C17-H22-N2-O11-S2
Molecular weight:
494.490
InChI:
InChI=1S/C17H22N2O11S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-30-32(24,25)26)29-31-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/t11-,14-,15+,16-,17+/m1/s1
InChI key:
FUSRORYNJFNNIL-UFRBAHOGSA-N
SMILES:
COc1cccc2[nH]cc(CC(=NOS(=O)(=O)O)OS[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12
Systematic name (3):
N-(スルホオキシ)-4-メトキシ-1H-インドール-3-アセトイミド酸O-(β-D-グルコピラノシルチオ)
({[2-(4-メトキシ-1H-インドール-3-イル)-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}オキシ)エチリデン]アミノ}オキシ)スルホン酸
({[2-(4-methoxy-1H-indol-3-yl)-1-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}oxy)ethylidene]amino}oxy)sulfonic acid
Other name (5):
4-メトキシグルコブラッシン
4-Methoxyglucobrassin
4-メトキシグルコブラッシシン
4-Methoxyglucobrassicin
N-(Sulfooxy)-4-methoxy-1H-indole-3-acetimidic acid O-(β-D-glucopyranosylthio) ester
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