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Glucolesquerellin

MNXM55140 is deprecated and here replaced by MNXM737686
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM737686 Image of MNXM737686
referencechebi:80987
formulaC14H27NO9S3
global charge0
mol weight449.569
InChIKeyZAKICGFSIJSCSF-LPUQOGTASA-N
InChIInChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/t9-,11-,12+,13-,14+/m1/s1
SMILESCSCCCCCCC(=NOS(=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/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/b15-10?/t9-,11-,12+,13-,14+/m1/s1 Image of MNXM737686
SMILES (mnx)[CH3:1][S:25][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][C:10](=[N:15][O:24][S:27]([OH:20])(=[O:21])=[O:22])[S:26][C@H:14]1[C@H:13]([OH:19])[C@@H:12]([OH:18])[C@H:11]([OH:17])[C@@H:9]([CH2:8][OH:16])[O:23]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80987
chebi:80987
kegg.compound:C17250
keggC:C17250
ZAKICGFSIJSCSF-LPUQOGTASA-N 		Glucolesquerellin
6-Methylthiohexyl glucosinolate
hmdb:HMDB0304233
ZAKICGFSIJSCSF-UHFFFAOYSA-M 		6-methylthiohexylglucosinolate
6-Methylthiohexylglucosinolic acid
[7-(Methylsulfanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino sulfuric acid
[7-(Methylsulphanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}heptylidene]amino sulphate
[7-(Methylsulphanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}heptylidene]amino sulphuric acid
[7-(methylsulfanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene]amino sulfate

keggC:M_C17250 		secondary/obsolete/fantasy identifier