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4-methoxy-3-indolylmethyl glucosinolate aglycone

MNXM10210 is deprecated and here replaced by MNXM1363460
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363460 Image of MNXM1363460
referencemetacycM:CPDQT-432
formulaC11H10N2O5S2
global charge-2
mol weight314.344
InChIKeyZOTUJOONTCAPII-UHFFFAOYSA-L
InChIInChI=1S/C11H12N2O5S2/c1-17-9-4-2-3-8-11(9)7(6-12-8)5-10(19)13-18-20(14,15)16/h2-4,6,12H,5H2,1H3,(H,13,19)(H,14,15,16)/p-2
SMILESCOC1=C2C(C/C([S-])=N/OS(=O)(=O)[O-])=CNC2=CC=C1
MNX internals
InChI (mnx)InChI=1/C11H12N2O5S2/c1-17-9-4-2-3-8-11(9)7(6-12-8)5-10(19)13-18-20(14,15)16/h2-4,6,12H,5H2,1H3,(H,13,19)(H,14,15,16) Image of MNXM1363460
SMILES (mnx)[CH3:1][O:17][C:9]1=[CH:4][CH:2]=[CH:3][C:8]2=[C:11]1[C:7]([CH2:5][C:10](=[N:13][O:18][S:20]([OH:14])(=[O:15])=[O:16])[SH:19])=[CH:6][NH:12]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPDQT-432
metacycM:CPDQT-432
ZOTUJOONTCAPII-UHFFFAOYSA-L 		4-methoxy-3-indolylmethyl glucosinolate aglycone