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indolylmethylglucosinolate

MNXM57381 is deprecated and here replaced by MNXM735441
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM735441

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	2

formula

C₁₆H₂₀N₂O₉S₂

charge

mass

448.06102

reference

chebi:24796

InChIKey

DNDNWOWHUWNBCK-NMIPTCLMSA-N

InChI

InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/b18-12+/t11-,13-,14+,15-,16+/m1/s1

SMILES

O=S(=O)(O)O/N=C(\Cc1c[nH]c2ccccc12)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:24796 chebi:24796	indolylmethylglucosinolate indole glucosinolates indolyl glucosinolate indolylglucosinolate indolylmethyl glucosinolate indolylmethylglucosinolates
seed.compound:cpd03467 seedM:cpd03467	Glucobrassicin 3-IMG 3-indolymethyl glucosinolate 3-indolymethyl-glucosinolate Indolylmethyl glucosinolate Indolylmethyl-glucosinolate glucobrassicin indolylmethyl glucosinolate indolylmethyl-glucosinolate
kegg.compound:C05837 keggC:C05837	Glucobrassicin Indolylmethyl glucosinolate
CHEBI:64962 chebi:64962	glucobrassicin 1-S-[2-(1H-indol-3-yl)-N-(sulfonatooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose glucobrassicin anion glucobrassicin(1-)
CHEBI:29028 chebi:29028	glucobrassicin 1-S-[2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose 3-IMG 3-Indolylmethyl glucosinolate 3-Indolylmethylglucosinolate Glucobrassicin Indolylmethyl glucosinolate indol-3-ylmethylglucosinolate
metacyc.compound:CPD-1863 metacycM:CPD-1863	glucobrassicin 3-IMG 3-indolymethyl glucosinolate 3-indolymethyl-glucosinolate indolylmethyl glucosinolate indolylmethyl-glucosinolate
chebi:24815 chebi:5398 chebi:60794 keggC:M_C05837 seedM:M_cpd03467	secondary/obsolete/fantasy identifier