Search MNXref
 Feedback

festuclavine

MNXM97127 is deprecated and replaced by MNXM1100300
PropertiesImage
MNX_IDMNXM1100300 Image of MNXM1100300
referencechebi:65045
formulaC16H21N2
global charge1
mol weight241.358
InChIKeyVLMZMRDOMOGGFA-WDBKCZKBSA-O
InChIInChI=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
SMILESC[C@@H]1C[C@@H]2C3=CC=CC4=C3C(=CN4)C[C@H]2[NH+](C)C1
MNX internals
InChI (mnx)InChI=1/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/t10-,13-,15-/m1/s1 Image of MNXM1100300
SMILES (mnx)[CH3:1][C@@H:10]1[CH2:6][C@@H:13]2[C:12]3=[C:16]4[C:11](=[CH:8][NH:17][C:14]4=[CH:5][CH:3]=[CH:4]3)[CH2:7][C@H:15]2[N:18]([CH3:2])[CH2:9]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65045
chebi:65045
VLMZMRDOMOGGFA-WDBKCZKBSA-O 		festuclavine
(8beta)-6,8-dimethylergolin-6-ium
festuclavine(1+)
festuclavinium(1+)

seed.compound:cpd31089
seedM:cpd31089
VLMZMRDOMOGGFA-WDBKCZKBSA-O 		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
VLMZMRDOMOGGFA-WDBKCZKBSA-N 		Festuclavine
6,8-beta-Dimethylergoline

metacyc.compound:CPD-14464
metacycM:CPD-14464
VLMZMRDOMOGGFA-WDBKCZKBSA-O 		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
VLMZMRDOMOGGFA-WDBKCZKBSA-N 		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