Mid0025: Lythranidine


Name
Lythranidine
IUPAC Name
23-methoxy-25-azatetracyclo[18.3.1.12,6.111,15]hexacosa-1(23),2,4,6(26),20(24),21-hexaene-3,9,17-triol
Molecular Formula
C26H35NO4
Molecular Weight
425.6
Exact Mass
425.2566086
SMILES
COC1=C2C=C(CCC(CC3CCCC(N3)CC(CCC4=CC2=C(C=C4)O)O)O)C=C1
InChIKey
IMHNVGKPQLKSHM-UHFFFAOYSA-N
InChI
InChI=1S/C26H35NO4/c1-31-26-12-8-18-6-10-22(29)16-20-4-2-3-19(27-20)15-21(28)9-5-17-7-11-25(30)23(13-17)24(26)14-18/h7-8,11-14,19-22,27-30H,2-6,9-10,15-16H2,1H3
Other Databases Link
CID_9548787
knapsack_C00051385
Structure
Classification
Alkaloids
Crops containing this metabolite
soy
rice
Related MS2T Accessions