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3-Methylbutyl glucosinolate

PropertiesImage
MNX_IDMNXM117546 Image of MNXM117546
referencehmdb:HMDB0038412
formulaC12H23NO9S2
global charge0
mol weight389.448
InChIKeyIGFSKYBVOPSATL-MDWZMJQESA-N
InChIInChI=1S/C12H23NO9S2/c1-6(2)3-4-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(5-14)21-12/h6-7,9-12,14-17H,3-5H2,1-2H3,(H,18,19,20)/b13-8+
SMILESCC(C)CC/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C12H23NO9S2/c1-6(2)3-4-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(5-14)21-12/h6-7,9-12,14-17H,3-5H2,1-2H3,(H,18,19,20)/b13-8+/t7?,9?,10?,11?,12? Image of MNXM117546
SMILES (mnx)[CH3:1][CH:6]([CH3:2])[CH2:3][CH2:4]/[C:8](=[N:13]\[O:22][S:24]([OH:18])(=[O:19])=[O:20])[S:23][CH:12]1[CH:11]([OH:17])[CH:10]([OH:16])[CH:9]([OH:15])[CH:7]([CH2:5][OH:14])[O:21]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
hmdb:HMDB0038412
IGFSKYBVOPSATL-MDWZMJQESA-N 		3-Methylbutyl glucosinolate
1-thio-b-D-Glucopyranoside 1-[4-methyl-N-(sulfooxy)pentanimidate], 9ci
3-Methylbutyl glucosinolic acid
[(E)-(4-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene)amino]oxysulfonic acid
{[(E)-(4-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene)amino]oxy}sulfonic acid
{[(e)-(4-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene)amino]oxy}sulfonate
{[(e)-(4-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}pentylidene)amino]oxy}sulphonate
{[(e)-(4-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}pentylidene)amino]oxy}sulphonic acid

hmdb:HMDB38412 		secondary/obsolete/fantasy identifier