Exact Mass: 645.3162

Exact Mass Matches: 645.3162

Found 22 metabolites which its exact mass value is equals to given mass value 645.3162, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Aconitine

(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl benzoate

C34H47NO11 (645.3149)


D049990 - Membrane Transport Modulators > D062687 - Sodium Channel Agonists > D061585 - Voltage-Gated Sodium Channel Agonists D007155 - Immunologic Factors Aconitine is a diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively. It is functionally related to an aconitane. Aconitine is a natural product found in Aconitum anthora, Aconitum napellus, and other organisms with data available. Aconitine is a plant toxin found in species of wolfsbane (Aconitum genus). It is a neurotoxin previously used as an antipyretic and analgesic, and still has some limited application in herbal medicine. (L1235). The toxic effects of Aconitine have been tested in a variety of different test animals, including mammals (dog, cat, guinea pig, mouse, rat and rabbit), frogs and pigeons. Depending on the route of exposure, the observed toxic effects were: local anesthetic effect, diarrhea, convulsions, arrhythmias or death. According to a review of different reports of aconite poisoning in humans the following clinical features were observed: Neurological, Cardiovascular, Ventricular arrhythmias, Gastrointestinal. A C19 norditerpenoid alkaloid (DITERPENES) from the root of ACONITUM; DELPHINIUM and larkspurs. It activates VOLTAGE-GATED SODIUM CHANNELS. It has been used to induce ARRHYTHMIAS in experimental animals and it has anti-inflammatory and anti-neuralgic properties. See also: Aconitum coreanum root (part of). Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid Annotation level-1 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2309

   

Aconitinum

8-(Acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoic acid

C34H47NO11 (645.3149)


   
   

(?)-(A-b)-8beta-acetoxy-14alpha-benzoyloxy-N-ethyl-3alpha,10beta,13beta-trihydroxy-1alpha,6alpha,16beta,18-tetramethoxyaconitane

(?)-(A-b)-8beta-acetoxy-14alpha-benzoyloxy-N-ethyl-3alpha,10beta,13beta-trihydroxy-1alpha,6alpha,16beta,18-tetramethoxyaconitane

C34H47NO11 (645.3149)


   

polyschistine D

polyschistine D

C34H47NO11 (645.3149)


   
   

ST 26:6;O6;HexNAc

ST 26:6;O6;HexNAc

C34H47NO11 (645.3149)


   

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

C34H47NO11 (645.3149)


   

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

C34H47NO11 (645.3149)


   

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

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

C34H47NO11 (645.3149)


   

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

C34H47NO11 (645.3149)


   

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

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

C34H47NO11 (645.3149)


   

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

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

C34H47NO11 (645.3149)


   

6-{9-benzyl-1,4,7-trihydroxy-6-[(1-methoxyindol-3-yl)methyl]-10-oxo-3h,6h,9h,12h,13h,14h,15h,15ah-pyrido[1,2-a]1,4,7,10-tetraazacyclododecan-3-yl}hexanoic acid

6-{9-benzyl-1,4,7-trihydroxy-6-[(1-methoxyindol-3-yl)methyl]-10-oxo-3h,6h,9h,12h,13h,14h,15h,15ah-pyrido[1,2-a]1,4,7,10-tetraazacyclododecan-3-yl}hexanoic acid

C35H43N5O7 (645.3162)


   

6-[(3s,6s,9s,15ar)-9-benzyl-1,4,7-trihydroxy-6-[(1-methoxyindol-3-yl)methyl]-10-oxo-3h,6h,9h,12h,13h,14h,15h,15ah-pyrido[1,2-a]1,4,7,10-tetraazacyclododecan-3-yl]hexanoic acid

6-[(3s,6s,9s,15ar)-9-benzyl-1,4,7-trihydroxy-6-[(1-methoxyindol-3-yl)methyl]-10-oxo-3h,6h,9h,12h,13h,14h,15h,15ah-pyrido[1,2-a]1,4,7,10-tetraazacyclododecan-3-yl]hexanoic acid

C35H43N5O7 (645.3162)


   

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

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

C34H47NO11 (645.3149)


   

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

C34H47NO11 (645.3149)


   

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

C34H47NO11 (645.3149)


   

(2s,3s,4s)-n-[(5r)-2,4-dihydroxy-5,6-dihydropyrimidin-5-yl]-3-hydroxy-4-({hydroxy[(3s)-2-[(2r,3r)-3-hydroxy-2-[(1-hydroxy-2-methoxyethylidene)amino]-4-methylpentanoyl]-4,5-dihydro-3h-pyridazin-3-yl]methylidene}amino)-2-methyl-5-phenylpentanimidic acid

(2s,3s,4s)-n-[(5r)-2,4-dihydroxy-5,6-dihydropyrimidin-5-yl]-3-hydroxy-4-({hydroxy[(3s)-2-[(2r,3r)-3-hydroxy-2-[(1-hydroxy-2-methoxyethylidene)amino]-4-methylpentanoyl]-4,5-dihydro-3h-pyridazin-3-yl]methylidene}amino)-2-methyl-5-phenylpentanimidic acid

C30H43N7O9 (645.3122)


   

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

C34H47NO11 (645.3149)


   

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

C34H47NO11 (645.3149)