Exact Mass: 661.3098

Exact Mass Matches: 661.3098

Found 11 metabolites which its exact mass value is equals to given mass value 661.3098, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

Nagarine

[(1R,2S,4R,5R,6S,7S,8S,9R,10R,13R,14R,16S,17R,18R)-8-acetyloxy-11-ethyl-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

C34H47NO12 (661.3098)


Aconifine is a diterpenoid that is aconitine bearing a 10-hydroxy substituent. It is functionally related to an aconitine. It derives from a hydride of an aconitane. Aconifine is a natural product found in Aconitum karakolicum, Aconitum nagarum, and Aconitum soongaricum with data available. Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid

   
   

10-OH-Aconitine

10-OH-Aconitine

C34H47NO12 (661.3098)


   

ST 26:6;O7;HexNAc

ST 26:6;O7;HexNAc

C34H47NO12 (661.3098)


   

8-(acetyloxy)-11-ethyl-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

8-(acetyloxy)-11-ethyl-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO12 (661.3098)


   

10-aconifine

NA

C34H47NO12 (661.3098)


{"Ingredient_id": "HBIN000048","Ingredient_name": "10-aconifine","Alias": "NA","Ingredient_formula": "C34H47NO12","Ingredient_Smile": "CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4(CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)O)OC(=O)C)OC)OC)O)COC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33035","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14s,15s,16r,17s,18r)-8-(acetyloxy)-11-ethyl-5,7,14,15-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14s,15s,16r,17s,18r)-8-(acetyloxy)-11-ethyl-5,7,14,15-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO12 (661.3098)


   

(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14s,15r,16r,17s,18r)-8-(acetyloxy)-11-ethyl-5,7,14,15-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14s,15r,16r,17s,18r)-8-(acetyloxy)-11-ethyl-5,7,14,15-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO12 (661.3098)


   

(1r,2s,3s,4r,5r,6s,7s,8s,9r,10r,13r,14r,16s,17r,18r)-8-(acetyloxy)-11-ethyl-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

(1r,2s,3s,4r,5r,6s,7s,8s,9r,10r,13r,14r,16s,17r,18r)-8-(acetyloxy)-11-ethyl-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO12 (661.3098)


   

8-(acetyloxy)-11-ethyl-5,7,14,15-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

8-(acetyloxy)-11-ethyl-5,7,14,15-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C34H47NO12 (661.3098)