In Vivo and In Vitro Metabolites from the Main Diester and Monoester Diterpenoid Alkaloids in a Traditional Chinese Herb, the Aconitum Species

Table 2

AC metabolites produced in rabbit stomachs.

DDAs	(ESI^+)	Formula	Identification	Neutral loss (Da), identification of fatty acid	Metabolic procedure	MS detection	References
AC	662	C34H47NO12	2′-Hydroxy AC or; 3′-AC (M1)^a	NA^b	Rabbits and rats; ig, in vivo.	IT, FT-ICR	[14]
			3′-Hydroxy AC or; 2′-hydroxy AC (M3)^a
			4′-Hydroxy AC (M6)^a
	632	C33H45NO11	Demethyl AC (M4)	NA
	630	C34H47NO10	Indaconitine (15-deoxy AC, M5)^c	NA
			Deoxyaconitine (3-deoxy AC, M7)
	618	C32H43NO11	Didemethyl AC or; N-deethyl AC (M2)	NA
	604	C32H45NO10	BAC (hydrolysis product 2)	NA	Rabbits and rats; ig, in vivo.	IT, FT-ICR
	542	C27H43NO10	14-O-Debenzoyl AC (hydrolysis product 1)	NA	Rabbits and rats; ig, in vivo.	IT, FT-ICR
	828	C47H73NO11	8-O-Pentadecanoyl BAC (M10)	242, pentadecanoic acid	Rabbits and rats; ig, in vivo.	IT, FT-ICR
	842	C48H75NO11	8-O-Palmitoyl BAC (M12)	256, palmitic acid
	864	C50H73NO11	8-O-Linolenoyl BAC (M9)	278, linolenic acid
	866	C50H75NO11	8-O-Linoleoyl BAC (M11)	280, linoleic acid
	868	C50H77NO11	8-O-Oleoyl BAC (M13)	282, oleic acid
	870	C50H79NO11	8-O-Stearoyl BAC (M14)	284, stearic acid
	978	C58H91NO11	8-O-Hexacosandienoyl BAC (M8)	392, hexacosandienoic acid

2′, 3′, and 4′, the position in benzoyl group.
^bNot available.
^cDeoxy may also be referred to as dehydroxy in the literature.