lysergate

lysergate




Chemical Formula:
C16H16N2O2
Molecular Weight:
268.315 Daltons
Monoisotopic Mass:
269.12900280030004 Daltons
SMILES:
C[N+]4(CC(C(=O)[O-])C=C1([CH](CC3(C2(=C1C=CC=C2NC=3)))4))
InChI:
1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)/t10?,14-/m1/s1
InChIKey:
ZAGRKAFMISFKIO-LNUXAPHWSA-N

Synonyms
  • lysergic acid
  • (8R)-9,10-didehydro-6-methylergoline-8-carboxylate

Databases
MetaCyc:  CPD-12364
MetaboLights:  MTBLC6604
KEGG:  C07541
ChEBI:  6604
PubChem (CID):  46173542 441285
RefMet:  Lysergic acid
Seed:  cpd04711
MetaNetX:  MNXM60728