Chem
J-GLOBAL ID:200907060477518152
Nikkaji number:J390.322B
Glucobrassicanapin
グルコブラッシカナピン
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:
C12 H21 NO9 S2
Molecular formula furigana:
C12-H21-N-O9-S2
Molecular weight:
387.420
InChI:
InChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/t7-,9-,10+,11-,12+/m1/s1
InChI key:
XMJFVIGTHMOGNZ-URYVQPGZSA-N
SMILES:
OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)O)CCCC=C)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (6):
1-チオ-β-D-グルコピラノース1-[N-(ヒドロキシスルホニルオキシ)-5-ヘキセンイミダート]
1-S-[1-(スルホオキシイミノ)-5-ヘキセニル]-1-チオ-β-D-グルコピラノース
N-(ヒドロキシスルホニルオキシ)-5-ヘキセンイミドチオ酸β-D-グルコピラノシル
N-(スルホオキシ)-S-(β-D-グルコピラノシル)-5-ヘキセンイミドチオ酸
{[(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}ヘキサ-5-エン-1-イリデン)アミノ]オキシ}スルホン酸
{[(1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hex-5-en-1-ylidene)amino]oxy}sulfonic acid
Show all
Other name (8):
グルコブラッシカナピン
Glucobrassicanapin
1-Thio-β-D-glucopyranose 1-[N-(hydroxysulfonyloxy)-5-hexeneimidate]
4-ペンテニルグルコシノラート
4-Pentenyl glucosinolate
1-S-[1-(Sulfooxyimino)-5-hexenyl]-1-thio-β-D-glucopyranose
N-(Hydroxysulfonyloxy)-5-hexenimidothioic acid β-D-glucopyranosyl ester
N-(Sulfooxy)-S-(β-D-glucopyranosyl)-5-hexenimidothioic acid
Show all
CAS registry number:
19041-10-2
Thsaurus map:
Return to Previous Page