roquefortine D
Chemical Formula:
C22H25N5O2
Molecular Weight:
391.472 Daltons
Monoisotopic Mass:
391.2008250727 Daltons
SMILES:
C=CC(C)(C)C23(CC5(N(C(NC1(C=CC=CC=12))3)C(=O)C(CC4(=CNC=N4))NC(=O)5))
InChI:
1S/C22H25N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-8,11-12,16-17,20,26H,1,9-10H2,2-3H3,(H,23,24)(H,25,28)
InChIKey:
Databases
MetaCyc:
CPD-17380
PubChem (CID):
15386782
MetaNetX:
MNXM148503