senecionine
Chemical Formula:
C18H25NO5
Molecular Weight:
335.399 Daltons
Monoisotopic Mass:
335.1732729182 Daltons
SMILES:
CC=C1(CC(C(O)(C)C(=O)OCC2(=CCN3(CCC(OC(=O)1)C23)))C)
InChI:
1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15?,18-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-8986
PubChem (CID):
91819904
ChEBI:
9107
KEGG:
C06176
Seed:
cpd03686
MetaNetX:
MNXM3358