agroclavine

Chemical Formula:

C₁₆H₁₉N₂

Molecular Weight:

239.339 Daltons

Monoisotopic Mass:

239.15482362030002 Daltons

SMILES:

CC1(C[N+](C)[CH]2(CC4(C3(=C([CH](C=1)2)C=CC=C3NC=4))))

InChI:

1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/p+1/t13-,15-/m1/s1

InChIKey:

XJOOMMHNYOJWCZ-UKRRQHHQSA-O

Synonyms

ergoline
8,9-didehydro-6,8-dimethylergoline
(2R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(16),3,9,12,14-pentaen-6-ium

Databases

MetaCyc: CPD-12357

PubChem (CID): 11862122

ChEBI: 65042

Seed: cpd05919

MetaNetX: MNXM40469

KEGG: C09023