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4-benzoyloxybutyl glucosinolate

MNXM14719 is deprecated and here replaced by MNXM1368199
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368199 Image of MNXM1368199
referencechebi:145996
formulaC18H24NO11S2
global charge-1
mol weight494.52
InChIKeyIEVWTBIZULGLHA-XKYBNXMZSA-M
InChIInChI=1S/C18H25NO11S2/c20-10-12-14(21)15(22)16(23)18(29-12)31-13(19-30-32(25,26)27)8-4-5-9-28-17(24)11-6-2-1-3-7-11/h1-3,6-7,12,14-16,18,20-23H,4-5,8-10H2,(H,25,26,27)/p-1/b19-13+/t12-,14-,15+,16-,18+/m1/s1
SMILESO=C(OCCCC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C18H25NO11S2/c20-10-12-14(21)15(22)16(23)18(29-12)31-13(19-30-32(25,26)27)8-4-5-9-28-17(24)11-6-2-1-3-7-11/h1-3,6-7,12,14-16,18,20-23H,4-5,8-10H2,(H,25,26,27)/b19-13+/t12-,14-,15+,16-,18+/m1/s1 Image of MNXM1368199
SMILES (mnx)[CH:1]1=[CH:2][CH:6]=[C:11]([C:17](=[O:24])[O:28][CH2:9][CH2:5][CH2:4][CH2:8]/[C:13](=[N:19]\[O:30][S:32]([OH:25])(=[O:26])=[O:27])[S:31][C@H:18]2[C@H:16]([OH:23])[C@@H:15]([OH:22])[C@H:14]([OH:21])[C@@H:12]([CH2:10][OH:20])[O:29]2)[CH:7]=[CH:3]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:145996
chebi:145996
IEVWTBIZULGLHA-XKYBNXMZSA-M 		4-benzoyloxybutyl glucosinolate