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Leonurine

PropertiesImage
MNX_IDMNXM59893 Image of MNXM59893
referencechebi:80843
formulaC14H21N3O5
global charge0
mol weight311.338
InChIKeyWNGSUWLDMZFYNZ-UHFFFAOYSA-N
InChIInChI=1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)
SMILESCOC1=CC(C(=O)OCCCCNC(=N)N)=CC(OC)=C1O
MNX internals
InChI (mnx)InChI=1/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17) Image of MNXM59893
SMILES (mnx)[CH3:1][O:20][C:10]1=[C:12]([OH:18])[C:11]([O:21][CH3:2])=[CH:8][C:9]([C:13](=[O:19])[O:22][CH2:6][CH2:4][CH2:3][CH2:5][NH:17][C:14](=[NH:15])[NH2:16])=[CH:7]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

seed.compound:cpd17256
seedM:cpd17256
CHEBI:80843
chebi:80843
kegg.compound:C16985
keggC:C16985
WNGSUWLDMZFYNZ-UHFFFAOYSA-N
WNGSUWLDMZFYNZ-UHFFFAOYSA-O 		Leonurine
Norboldine
hmdb:HMDB0254014
WNGSUWLDMZFYNZ-UHFFFAOYSA-N 		Leonurine
4-Carbamimidamidobutyl 4-hydroxy-3,5-dimethoxybenzoic acid
4-Guanidino-N-butyl syringate
4-carbamimidamidobutyl 4-hydroxy-3,5-dimethoxybenzoate
Norboldine
SCM-198
leonurine

keggC:M_C16985
seedM:M_cpd17256 		secondary/obsolete/fantasy identifier