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6,8-dimethyl-6,7-didehydroergoline

MNXM97125 is deprecated and replaced by MNXM1100301
PropertiesImage
MNX_IDMNXM1100301 Image of MNXM1100301
referencechebi:65034
formulaC16H19N2
global charge1
mol weight239.342
InChIKeyFGVUDRMBAMEJCE-SKNXHYNKSA-N
InChIInChI=1S/C16H19N2/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,6-7H2,1-2H3/q+1/t10?,13-,15-/m1/s1
SMILESCC1C=[N+](C)[C@@H]2CC3=CNC4=C3C(=CC=C4)[C@H]2C1
MNX internals
InChI (mnx)InChI=1/C16H19N2/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,6-7H2,1-2H3/q+1/t10?,13-,15-/m1/s1 Image of MNXM1100301
SMILES (mnx)[CH3:1][CH: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])=[CH:9]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65034
chebi:65034
FGVUDRMBAMEJCE-SKNXHYNKSA-N 		6,8-dimethyl-6,7-didehydroergoline
(2R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),5,9,12,14-pentaen-6-ium
6,8-dimethyl-6,7-didehydroergolin-6-ium

kegg.compound:C20409
keggC:C20409
FGVUDRMBAMEJCE-SKNXHYNKSA-N 		6,8-Dimethyl-6,7-didehydroergoline

seed.compound:cpd31090
seedM:cpd31090
FGVUDRMBAMEJCE-SKNXHYNKSA-N 		6,8-Dimethyl-6,7-didehydroergoline
(2R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),5,9,12,14-pentaen-6-ium
6,8-dimethyl-6,7-didehydroergoline

metacyc.compound:CPD-14466
metacycM:CPD-14466
FGVUDRMBAMEJCE-SKNXHYNKSA-N 		6,8-dimethyl-6,7-didehydroergoline
(2R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),5,9,12,14-pentaen-6-ium

chebi:65033
keggC:M_C20409
seedM:M_cpd31090 		secondary/obsolete/fantasy identifier