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glucoiberverin

Properties

Image

Occurences in reactions

MNX_ID

MNXM738086

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₁H₂₀NO₉S₃

charge

-1

mass

406.03057

reference

metacycM:3-METHYLTHIOPROPYL-GLUCOSINOLATE

InChIKey

ZCZCVJVUJGULMO-BZVDQRPCSA-M

InChI

InChI=1S/C11H21NO9S3/c1-22-4-2-3-7(12-21-24(17,18)19)23-11-10(16)9(15)8(14)6(5-13)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/p-1/b12-7+/t6-,8-,9+,10-,11+/m1/s1

SMILES

CSCCC/C(=N\OS(=O)(=O)[O-])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
metacyc.compound:3-METHYLTHIOPROPYL-GLUCOSINOLATE metacycM:3-METHYLTHIOPROPYL-GLUCOSINOLATE	glucoiberverin 3-(methylsulfanyl)propyl-glucosinolate 3-(methylthio)propyl-glucosinolate
seed.compound:cpd05324 seedM:cpd05324	Glucoiberverin 3-(methylsulfanyl)propyl-glucosinolate 3-(methylthio)propyl-glucosinolate 3-Methylthiopropyl glucosinolate 3-methylthiopropyl-glucosinolate glucoiberverin
kegg.compound:C08412 keggC:C08412	Glucoiberverin 3-Methylthiopropyl glucosinolate
keggC:M_C08412 seedM:M_cpd05324	secondary/obsolete/fantasy identifier