emetine
Chemical Formula:
C29H42N2O4
Molecular Weight:
482.662 Daltons
Monoisotopic Mass:
482.31445784699997 Daltons
SMILES:
CC[CH]3(C[N+]4([CH](C[CH](C[CH]2(C1(C(=CC(OC)=C(OC)C=1)CC[N+]2)))3)C5(=C(CC4)C=C(OC)C(OC)=C5)))
InChI:
1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/p+2/t18-,21-,24+,25-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-14817
PubChem (CID):
11865426
MetaboLights:
MTBLC4781
KEGG:
C09421
ChEBI:
4781
Seed:
cpd06316
MetaNetX:
MNXM97514