senecionine N-oxide

Chemical Formula:

C₁₈H₂₆NO₆

Molecular Weight:

352.406 Daltons

Monoisotopic Mass:

352.1760125724 Daltons

SMILES:

CC=C1(CC(C(O)(C)C(=O)OCC2(=CC[N+]3(O)(CCC(OC(=O)1)C23)))C)

InChI:

1S/C18H26NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22-23H,6-10H2,1-3H3/q+1/b12-4-/t11-,14-,15?,18-,19?/m1/s1

InChIKey:

QIXCUXOLMTWWKN-XTCJGUPPSA-N

Databases

MetaCyc: CPD-8987

PubChem (CID): 122706420

ChEBI: 52070

KEGG: C15612

Seed: cpd11261

MetaNetX: MNXM4106