Met007577: Cassaidine
Metabolite Information
Name
Cassaidine
IUPAC Name
2-(dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-7,10-dihydroxy-1,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetate
Molecular Formula
C24H41NO4
Molecular Weight
407.6
Exact Mass
407.3035588
SMILES
CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCC(C(C3CC2O)(C)C)O)C
InChIKey
JKPVSFQJGXEMSU-CHEGSHICSA-N
InChI
InChI=1S/C24H41NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17-20,22,26-27H,7-12,14H2,1-6H3/b16-13+/t15-,17-,18-,19-,20-,22-,24+/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Prenol lipids
Subclass:
Diterpenoids
Crops containing this metabolite
avocado
Metabolite Spectrum Accession Label