6-allyl-8b-Carboxy-ergoline

Properties Image MNX_ID MNXM151452 reference chebi:174826 formula C18H20N2O2 global charge 0 mol weight 296.37 InChIKey YAICYXFUKKMAKO-DBQWNMKUSA-N InChI InChI=1S/C18H20N2O2/c1-2-6-20-10-12(18(21)22)7-14-13-4-3-5-15-17(13)11(9-19-15)8-16(14)20/h2-5,9,12,14,16,19H,1,6-8,10H2,(H,21,22)/t12?,14-,16-/m0/s1 SMILES C=CCN1CC(C(=O)O)C[C@H]2C3=C4C(=CNC4=CC=C3)C[C@@H]21 MNX internals InChI (mnx) InChI=1/C18H20N2O2/c1-2-6-20-10-12(18(21)22)7-14-13-4-3-5-15-17(13)11(9-19-15)8-16(14)20/h2-5,9,12,14,16,19H,1,6-8,10H2,(H,21,22)/t12?,14-,16-/m0/s1 SMILES (mnx) [CH2:1]=[CH:2][CH2:6][N:20]1[CH2:10][CH:12]([C:18](=[O:21])[OH:22])[CH2:7][C@H:14]2[C:13]3=[C:17]4[C:11](=[CH:9][NH:19][C:15]4=[CH:5][CH:3]=[CH:4]3)[CH2:8][C@@H:16]21

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0