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

Databases

MetaCyc: CPD-12364

MetaboLights: MTBLC6604

KEGG: C07541

ChEBI: 6604

PubChem (CID): 46173542 441285

RefMet: Lysergic acid

Seed: cpd04711

MetaNetX: MNXM60728