paspalate
Chemical Formula:
C16H16N2O2
Molecular Weight:
268.315 Daltons
Monoisotopic Mass:
269.12900280030004 Daltons
SMILES:
C[N+]4(CC(C(=O)[O-])=C[CH]1([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/h2-5,7,12,14,17H,6,8H2,1H3,(H,19,20)/t12-,14-/m1/s1
InChIKey:
Synonyms
- paspalic acid
- ergoline-8-carboxylic acid
Databases
MetaCyc:
CPD-12359
PubChem (CID):
46173184
Seed:
cpd23372
MetaNetX:
MNXM8991