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festuclavine

MNXM97127 is deprecated and replaced by MNXM1100300

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100300

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

formula

C₁₆H₂₁N₂

charge

mass

241.16993

reference

InChIKey

VLMZMRDOMOGGFA-WDBKCZKBSA-O

InChI

InChI=1S/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/p+1/t10-,13-,15-/m1/s1

SMILES

C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2[NH+](C)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65045 chebi:65045	festuclavine (8beta)-6,8-dimethylergolin-6-ium festuclavine(1+) festuclavinium(1+)
seed.compound:cpd31089 seedM:cpd31089	Festuclavine (2R,4R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraen-6-ium 6,8-beta-Dimethylergoline festuclavine
kegg.compound:C20408 keggC:C20408	Festuclavine 6,8-beta-Dimethylergoline
metacyc.compound:CPD-14464 metacycM:CPD-14464	festuclavine (2R,4R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraen-6-ium
CHEBI:65035 chebi:65035	festuclavine (8-beta)-6,8-Dimethylergoline (8beta)-6,8-dimethylergoline 6,8-beta-Dimethylergoline Festuclavin
keggC:M_C20408 seedM:M_cpd31089	secondary/obsolete/fantasy identifier