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(Z)-indolylmethyl desulfoglucosinolate

MNXM5184 is deprecated and here replaced by MNXM737560
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM737560 Image of MNXM737560
referencechebi:136527
formulaC16H20N2O6S
global charge0
mol weight368.411
InChIKeyCWNIQCOMWQROPA-PIAXYHQTSA-N
InChIInChI=1S/C16H20N2O6S/c19-7-11-13(20)14(21)15(22)16(24-11)25-12(18-23)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-23H,5,7H2/b18-12-/t11-,13-,14+,15-,16+/m1/s1
SMILESOC[C@H]1O[C@@H](S/C(CC2=CNC3=CC=CC=C23)=N\O)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C16H20N2O6S/c19-7-11-13(20)14(21)15(22)16(24-11)25-12(18-23)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-23H,5,7H2/b18-12-/t11-,13-,14+,15-,16+/m1/s1 Image of MNXM737560
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:10]2[C:9](=[CH:3]1)[C:8]([CH2:5]/[C:12](=[N:18]/[OH:23])[S:25][C@H:16]1[C@H:15]([OH:22])[C@@H:14]([OH:21])[C@H:13]([OH:20])[C@@H:11]([CH2:7][OH:19])[O:24]1)=[CH:6][NH:17]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136527
chebi:136527
CWNIQCOMWQROPA-PIAXYHQTSA-N 		(Z)-indolylmethyl desulfoglucosinolate
(Z)-desulfoglucobrassicin
(Z)-indolylmethyl-desulfoglucosinolate
(Z)-indolylmethyldesulfoglucosinolate
1-1-S-[(1Z)-N-hydroxy-2-(1H-indol-3-yl)ethanimidoyl]-1-thio-beta-D-glucopyranose

kegg.compound:C16517
keggC:C16517
CWNIQCOMWQROPA-PIAXYHQTSA-N 		Indolylmethyl-desulfoglucosinolate
Desulfoglucobrassicin

seed.compound:cpd16333
seedM:cpd16333
CWNIQCOMWQROPA-PIAXYHQTSA-N 		Indolylmethyl-desulfoglucosinolate
desulfoglucobrassicin
indolylmethyl-desulfoglucosinolate

metacyc.compound:CPD-1862
metacycM:CPD-1862
CWNIQCOMWQROPA-PIAXYHQTSA-N 		desulfoglucobrassicin

keggC:M_C16517
seedM:M_cpd16333 		secondary/obsolete/fantasy identifier