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Deoxydesulfoglucohirsutin

PropertiesImage
MNX_IDMNXM10454 Image of MNXM10454
referencechebi:182620
formulaC16H31NO6S2
global charge0
mol weight397.559
InChIKeyJXHZTRXZIXRIDX-URUUWQEUSA-N
InChIInChI=1S/C16H31NO6S2/c1-24-9-7-5-3-2-4-6-8-12(17-22)25-16-15(21)14(20)13(19)11(10-18)23-16/h11,13-16,18-22H,2-10H2,1H3/b17-12-/t11-,13-,14+,15-,16+/m1/s1
SMILESCSCCCCCCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C16H31NO6S2/c1-24-9-7-5-3-2-4-6-8-12(17-22)25-16-15(21)14(20)13(19)11(10-18)23-16/h11,13-16,18-22H,2-10H2,1H3/b17-12-/t11-,13-,14+,15-,16+/m1/s1 Image of MNXM10454
SMILES (mnx)[CH3:1][S:24][CH2:9][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][CH2:8]/[C:12](=[N:17]/[OH:22])[S:25][C@H:16]1[C@H:15]([OH:21])[C@@H:14]([OH:20])[C@H:13]([OH:19])[C@@H:11]([CH2:10][OH:18])[O:23]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:182620
chebi:182620
JXHZTRXZIXRIDX-URUUWQEUSA-N 		Deoxydesulfoglucohirsutin
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-hydroxy-9-methylsulanylnonanimidothioate

metacyc.compound:CPDQT-419
metacycM:CPDQT-419
JXHZTRXZIXRIDX-URUUWQEUSA-N 		8-(methylsulfanyl)octyl-desulfoglucosinolate
8-(methylthio)octyl-desulfoglucosinolate

kegg.compound:C21746
keggC:C21746
JXHZTRXZIXRIDX-URUUWQEUSA-N 		8-Methylthiooctyl-desulfoglucosinolate

seed.compound:cpd26643
seedM:cpd26643
JXHZTRXZIXRIDX-URUUWQEUSA-N 		8-methylthiooctyldesulfoglucosinolate
8-(methylsulfanyl)octyl-desulfoglucosinolate
8-(methylthio)octyl-desulfoglucosinolate

keggC:M_C21746
seedM:M_cpd26643 		secondary/obsolete/fantasy identifier