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Glucohirsutin

MNXM15087 is deprecated and here replaced by MNXM1371188
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371188 Image of MNXM1371188
referencechebi:80998
formulaC16H31NO10S3
global charge0
mol weight493.622
InChIKeyGPMDJOOLATZDQL-OTNWBXTQSA-N
InChIInChI=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)/b17-12-/t11-,13-,14+,15-,16+,29?/m1/s1
SMILESCS(=O)CCCCCCCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/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)/b17-12-/t11-,13-,14+,15-,16+,29?/m1/s1 Image of MNXM1371188
SMILES (mnx)[CH3:1][S:29]([CH2:9][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][CH2:8]/[C:12](=[N:17]/[O:27][S:30]([OH:23])(=[O:24])=[O:25])[S:28][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:26]1)=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80998
chebi:80998
GPMDJOOLATZDQL-OTNWBXTQSA-N 		Glucohirsutin
8-Methylsulfinyloctyl glucosinolate
8-MethylsulfinyloctylGS

metacyc.compound:CPDQT-299
metacycM:CPDQT-299
GPMDJOOLATZDQL-OTNWBXTQSA-M 		8-(methylsulfinyl)octyl-glucosinolate
glucohirsutin

seed.compound:cpd17458
seedM:cpd17458
GPMDJOOLATZDQL-OTNWBXTQSA-M 		Glucohirsutin
8-(methylsulfinyl)octyl-glucosinolate
8-Methylsulfinyloctyl glucosinolate
8-methylsulfinyloctyl glucosinolate
beta-D-glucopyranose, 1-thio-, 1-[9-(methylsulfinyl)-N-(sulfooxy)nonanimidate]
glucohirsutin
glucopyranose, 1-thio-, 1-[9-(methylsulfinyl)nonanohydroximate] NO-(hydrogen sulfate), beta-D-

seedM:M_cpd17458 		secondary/obsolete/fantasy identifier