Exact Mass: 615.3043

Exact Mass Matches: 615.3043

Found 13 metabolites which its exact mass value is equals to given mass value 615.3043, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

Hypaconitine

(3S,6S,6aS,7R,7aR,8R,9R,10S,11S,11aR,12R,13R,14R)-11a-acetoxy-9,11-dihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-1-methyltetradecahydro-1H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate

C33H45NO10 (615.3043)


Hypaconitine is a diterpenoid. Hypaconitine is a natural product found in Aconitum japonicum, Aconitum firmum, and other organisms with data available. Annotation level-1 Hypaconitine, an active and highly toxic constituent derived from Aconitum species, is widely used to treat rheumatism. IC50 value: Target: In vitro: The present study investigated the metabolism of hypaconitine in vitro using male human liver microsomes. The primary contributors toward HA metabolism were CYP3A4 and 3A5, with secondary contributions by CYP2C19, 2D6 and CYP2E1 [1]. In vivo: Hypaconitine, an active and highly toxic constituent derived from Aconitum species, is widely used to treat rheumatism. IC50 value: Target: In vitro: The present study investigated the metabolism of hypaconitine in vitro using male human liver microsomes. The primary contributors toward HA metabolism were CYP3A4 and 3A5, with secondary contributions by CYP2C19, 2D6 and CYP2E1 [1]. In vivo:

   

Hypaconitine

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

C33H45NO10 (615.3043)


   

16-Epipyrojesaconitine

16-Epipyrojesaconitine

C33H45NO10 (615.3043)


   
   

destruxin E2 chlorohydrin

destruxin E2 chlorohydrin

C28H46ClN5O8 (615.3035)


   

ST 25:6;O5;HexNAc

ST 25:6;O5;HexNAc

C33H45NO10 (615.3043)


   

(2r,3s,4r,5r,6s,8s,13r,14r,16s,17s,18r)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-7-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

(2r,3s,4r,5r,6s,8s,13r,14r,16s,17s,18r)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-7-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

C33H45NO10 (615.3043)


   

(1s,2r,3r,4r,5s,8r,9r,10r,13r,14r,16s,17s,18r)-11-ethyl-5,8,14-trihydroxy-16,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-6-en-4-yl 3,4-dimethoxybenzoate

(1s,2r,3r,4r,5s,8r,9r,10r,13r,14r,16s,17s,18r)-11-ethyl-5,8,14-trihydroxy-16,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-6-en-4-yl 3,4-dimethoxybenzoate

C33H45NO10 (615.3043)


   

11-ethyl-5,8,14-trihydroxy-16,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-6-en-4-yl 3,4-dimethoxybenzoate

11-ethyl-5,8,14-trihydroxy-16,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-6-en-4-yl 3,4-dimethoxybenzoate

C33H45NO10 (615.3043)


   

(5r,6s,8r,13s)-8-(acetyloxy)-11-ethyl-5,7-dihydroxy-6,13,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

(5r,6s,8r,13s)-8-(acetyloxy)-11-ethyl-5,7-dihydroxy-6,13,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C33H45NO10 (615.3043)


   

(2r,3s,4r,5r,6r,8s,13r,14r,16s,17s,18r)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-7-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

(2r,3s,4r,5r,6r,8s,13r,14r,16s,17s,18r)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-7-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

C33H45NO10 (615.3043)


   

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

C33H45NO10 (615.3043)


   

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

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

C33H45NO10 (615.3043)