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Glucohesperalin

PropertiesImage
MNX_IDMNXM525934 Image of MNXM525934
referencehmdb:HMDB0038410
formulaC14H27NO10S3
global charge0
mol weight465.568
InChIKeyOOGAQHVYHLPICD-XNTDXEJSSA-N
InChIInChI=1S/C14H27NO10S3/c1-27(20)7-5-3-2-4-6-10(15-25-28(21,22)23)26-14-13(19)12(18)11(17)9(8-16)24-14/h9,11-14,16-19H,2-8H2,1H3,(H,21,22,23)/b15-10+
SMILESCS(=O)CCCCCC/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C14H27NO10S3/c1-27(20)7-5-3-2-4-6-10(15-25-28(21,22)23)26-14-13(19)12(18)11(17)9(8-16)24-14/h9,11-14,16-19H,2-8H2,1H3,(H,21,22,23)/b15-10+/t9?,11?,12?,13?,14?,27? Image of MNXM525934
SMILES (mnx)[CH3:1][S:27]([CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6]/[C:10](=[N:15]\[O:25][S:28]([OH:21])(=[O:22])=[O:23])[S:26][CH:14]1[CH:13]([OH:19])[CH:12]([OH:18])[CH:11]([OH:17])[CH:9]([CH2:8][OH:16])[O:24]1)=[O:20]
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
hmdb:HMDB0038410
OOGAQHVYHLPICD-XNTDXEJSSA-N 		Glucohesperalin
6-(Methylsulfinyl)hexyl glucosinolate
6-Methylsulfinylhexyl glucosinolate
Glucohesperin
[(E)-(7-methanesulfinyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene)amino]oxysulfonic acid
{[(E)-(7-methanesulfinyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene)amino]oxy}sulfonic acid
{[(e)-(7-methanesulfinyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}heptylidene)amino]oxy}sulfonate
{[(e)-(7-methanesulphinyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}heptylidene)amino]oxy}sulphonate
{[(e)-(7-methanesulphinyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}heptylidene)amino]oxy}sulphonic acid

hmdb:HMDB38410 		secondary/obsolete/fantasy identifier