Exact Mass: 499.2781

Exact Mass Matches: 499.2781

Found 7 metabolites which its exact mass value is equals to given mass value 499.2781, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

Aconine

(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol

C25H41NO9 (499.2781)


A diterpene alkaloid with formula C25H41NO9 that is isolated from several Aconitum species. Aconine is a diterpene alkaloid with formula C25H41NO9 that is isolated from several Aconitum species. It has a role as a plant metabolite, a human urinary metabolite, a NF-kappaB inhibitor and a xenobiotic. It is a bridged compound, a diterpene alkaloid, an organic heteropolycyclic compound, a polyether, a tertiary amino compound, a pentol, a secondary alcohol and a tertiary alcohol. It derives from a hydride of an aconitane. Jesaconine is a natural product found in Euglena gracilis, Aconitum, and Aconitum pendulum with data available. Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid Aconine inhibits receptor activator of nuclear factor (NF)-κB ligand (RANKL)-induced NF-κB activation. Aconine inhibits receptor activator of nuclear factor (NF)-κB ligand (RANKL)-induced NF-κB activation.

   

Aconine

11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,5,7,8,14-pentol

C25H41NO9 (499.2781)


Aconine inhibits receptor activator of nuclear factor (NF)-κB ligand (RANKL)-induced NF-κB activation. Aconine inhibits receptor activator of nuclear factor (NF)-κB ligand (RANKL)-induced NF-κB activation.

   

5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-dioxane-4,6-dione

5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-dioxane-4,6-dione

C24H45NO6Si2 (499.2785)


   

ST 23:1;O7;Gly

ST 23:1;O7;Gly

C25H41NO9 (499.2781)


   

aconine

MFCD09039102; Ambap20562-03-2; alpha-Chaconine; CHEMBL2288884; ZINC245190581; alpha-Chaconine with HPLC; aconine ; (3b)-Solanid-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1-2)-O-(6-deoxy-a-L-mannopyranosyl-(1-4))-b-D-glucopyranoside; a-Chaconine; AC-20170; b-D-Glucopyranoside, (3b)-solanid-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1?2)-O-[6-deoxy-a-L-mannopyranosyl-(1?4)]-; BC216164; AKOS015965211; 20562-03-2

C25H41NO9 (499.2781)


{"Ingredient_id": "HBIN014572","Ingredient_name": "aconine","Alias": "MFCD09039102; Ambap20562-03-2; alpha-Chaconine; CHEMBL2288884; ZINC245190581; alpha-Chaconine with HPLC; aconine ; (3b)-Solanid-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1-2)-O-(6-deoxy-a-L-mannopyranosyl-(1-4))-b-D-glucopyranoside; a-Chaconine; AC-20170; b-D-Glucopyranoside, (3b)-solanid-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1?2)-O-[6-deoxy-a-L-mannopyranosyl-(1?4)]-; BC216164; AKOS015965211; 20562-03-2","Ingredient_formula": "C25H41NO9","Ingredient_Smile": "CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6O)(C(C5O)OC)O)O)OC)OC)O)COC","Ingredient_weight": "499.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT18380","TCMID_id": "23512","TCMSP_id": "NA","TCM_ID_id": "7198;19282","PubChem_id": "137706549","DrugBank_id": "NA"}

   

(1s,5r,6s,7s,8r,9r,10r,13r,14r,16s)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,5,7,8,14-pentol

(1s,5r,6s,7s,8r,9r,10r,13r,14r,16s)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,5,7,8,14-pentol

C25H41NO9 (499.2781)


   

(2r,3r,5r,8r,10r,17s)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,5,7,8,14-pentol

(2r,3r,5r,8r,10r,17s)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,5,7,8,14-pentol

C25H41NO9 (499.2781)