Exact Mass: 867.4940852000001

Exact Mass Matches: 867.4940852000001

Found 30 metabolites which its exact mass value is equals to given mass value 867.4940852000001, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

alpha-Solanine

alpha-Solanine

C45H73NO15 (867.4979947999999)


[Raw Data] CB083_Solanine_pos_30eV_isCID-10eV_rep000003.txt [Raw Data] CB083_Solanine_pos_40eV_isCID-10eV_rep000003.txt [Raw Data] CB083_Solanine_pos_50eV_isCID-10eV_rep000003.txt [Raw Data] CB083_Solanine_pos_20eV_isCID-10eV_rep000003.txt [Raw Data] CB083_Solanine_pos_10eV_isCID-10eV_rep000003.txt α-solanine, a bioactive component and one of the major steroidal glycoalkaloids in Solanum nigrum, has been observed to inhibit growth and induce apoptosis in cancer cells[1]. α-solanine, a bioactive component and one of the major steroidal glycoalkaloids in Solanum nigrum, has been observed to inhibit growth and induce apoptosis in cancer cells[1].

   

Solamargine

(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5R,6R,7S,8R,9S,12S,13R,16S)-5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2-piperidine]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

C45H73NO15 (867.4979947999999)


Solamargine is an azaspiro compound, a steroid and an oxaspiro compound. Solamargine has been used in trials studying the treatment of Actinic Keratosis. Solamargine is a natural product found in Solanum pittosporifolium, Solanum americanum, and other organisms with data available. Solamargine, a derivative from the steroidal solasodine in Solanum species, exhibits anticancer activities in numerous types of cancer. Solamargine induces non-selective cytotoxicity and P-glycoprotein inhibition. Solamargine significantly inhibits migration and invasion of HepG2 cells by down-regulating MMP-2 and MMP-9 expression and activity[1][2]. Solamargine, a derivative from the steroidal solasodine in Solanum species, exhibits anticancer activities in numerous types of cancer. Solamargine induces non-selective cytotoxicity and P-glycoprotein inhibition. Solamargine significantly inhibits migration and invasion of HepG2 cells by down-regulating MMP-2 and MMP-9 expression and activity[1][2].

   

beta-Solamarine

2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2-piperidin]-18-eneoxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

C45H73NO15 (867.4979947999999)


beta-Solamarine is found in potato. beta-Solamarine is an alkaloid from Solanum juzepczukii (bitter potato Alkaloid from Solanum juzepczukii (bitter potato). beta-Solamarine is found in root vegetables and potato.

   

Solamargine

2-{[4-hydroxy-2-(hydroxymethyl)-6-{5,7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2-piperidin]-18-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C45H73NO15 (867.4979947999999)


Solamargine, also known as beta-solamarine, is a member of the class of compounds known as steroidal saponins. Steroidal saponins are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. Solamargine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Solamargine can be found in eggplant, which makes solamargine a potential biomarker for the consumption of this food product. Solamargine is a poisonous chemical compound that occurs in plants of the Solanaceae family, such as potatoes, tomatoes, and eggplants. It has been also isolated from Solanum nigrum fungal endophyte Aspergillus flavus. It is a glycoalkaloid derived from the steroidal alkaloid solasodine . Solamargine, a derivative from the steroidal solasodine in Solanum species, exhibits anticancer activities in numerous types of cancer. Solamargine induces non-selective cytotoxicity and P-glycoprotein inhibition. Solamargine significantly inhibits migration and invasion of HepG2 cells by down-regulating MMP-2 and MMP-9 expression and activity[1][2]. Solamargine, a derivative from the steroidal solasodine in Solanum species, exhibits anticancer activities in numerous types of cancer. Solamargine induces non-selective cytotoxicity and P-glycoprotein inhibition. Solamargine significantly inhibits migration and invasion of HepG2 cells by down-regulating MMP-2 and MMP-9 expression and activity[1][2].

   

4)]-beta-D-glucopyranoside

Solanidine 3-O-[alpha-L-rhamnopyranosyl-(1-

C45H73NO15 (867.4979947999999)


   

Cycloleonuripeptide E

Cycloleonuripeptide E

C43H65N9O10 (867.485415)


   
   

(22R,25R)-3beta-[alpha-L-6-deoxy-mannopyranosyl-(1->4)-alpha-L-6-deoxy-mannopyranosyl-(1->6)-beta-D-glucopyranosyloxy]-spirosol-5-ene|(22R,25R)-spirosol-5-en-3beta-yl alpha-L-6-deoxy-mannopyranosyl-(1->4)-alpha-L-6-deoxy-mannopyranosyl-(1->6)-beta-D-glucopyranoside|Solamargin

(22R,25R)-3beta-[alpha-L-6-deoxy-mannopyranosyl-(1->4)-alpha-L-6-deoxy-mannopyranosyl-(1->6)-beta-D-glucopyranosyloxy]-spirosol-5-ene|(22R,25R)-spirosol-5-en-3beta-yl alpha-L-6-deoxy-mannopyranosyl-(1->4)-alpha-L-6-deoxy-mannopyranosyl-(1->6)-beta-D-glucopyranoside|Solamargin

C45H73NO15 (867.4979947999999)


   

Solanidine 3-O-[alpha-L-rhamnopyranosyl-(1->2)[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside

Solanidine 3-O-[alpha-L-rhamnopyranosyl-(1->2)[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside

C45H73NO15 (867.4979947999999)


   

(3beta,7beta)-7-hydroxysolanid-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1?2)-[6-deoxy-alpha-L-mannopyranosyl-(1?4)]-beta-D-glucopyranoside

(3beta,7beta)-7-hydroxysolanid-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1?2)-[6-deoxy-alpha-L-mannopyranosyl-(1?4)]-beta-D-glucopyranoside

C45H73NO15 (867.4979947999999)


   

Solanidine-3-O-??-L-rhamnopyranosyl-(1鈥樏傗垎2)-??-D-glucopyranosyl-(1鈥樏傗垎4)-??-D-glucopyranoside

Solanidine-3-O-??-L-rhamnopyranosyl-(1鈥樏傗垎2)-??-D-glucopyranosyl-(1鈥樏傗垎4)-??-D-glucopyranoside

C45H73NO15 (867.4979947999999)


   

Solanine

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

C45H73NO15 (867.4979947999999)


A glycoalkaloid poison found in species of the nightshade family (Solanaceae), such as the potato (Solanum tuberosum). It is a trisccharide derivative of solanidine [(22beta)-solanid-5-en-3beta-ol]. Solanine is a glycoalkaloid poison found in species of the nightshade family (Solanaceae), such as the potato (Solanum tuberosum). It is a trisccharide derivative of solanidine [(22beta)-solanid-5-en-3beta-ol]. It has a role as a phytotoxin, an antineoplastic agent, an apoptosis inducer and a plant metabolite. It is a steroid saponin, a trisaccharide derivative, an organic heterohexacyclic compound and a glycoalkaloid. It is functionally related to a solanidine. (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol is a natural product found in Capsicum annuum, Solanum tuberosum, and Bos taurus with data available. A mixture of alpha-chaconine and alpha-solanine, found in SOLANACEAE plants. α-solanine, a bioactive component and one of the major steroidal glycoalkaloids in Solanum nigrum, has been observed to inhibit growth and induce apoptosis in cancer cells[1]. α-solanine, a bioactive component and one of the major steroidal glycoalkaloids in Solanum nigrum, has been observed to inhibit growth and induce apoptosis in cancer cells[1].

   
   

C45H73NO15_beta-D-Glucopyranoside, spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]

NCGC00179912-02_C45H73NO15_beta-D-Glucopyranoside, spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-

C45H73NO15 (867.4979947999999)


   

C45H73NO15_beta-D-Mannopyranoside, solanid-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]

NCGC00169933-02_C45H73NO15_beta-D-Mannopyranoside, solanid-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-

C45H73NO15 (867.4979947999999)


   

alpha-Solanine

alpha-Solanine

C45H73NO15 (867.4979947999999)


Annotation level-1

   

b-Solamarine

2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2-piperidin]-18-eneoxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

C45H73NO15 (867.4979947999999)


   

α-Solanine

(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17S,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

C45H73NO15 (867.4979947999999)


Alkaloid from potato (Solanum tuberosum) and very many other Solanum subspecies (Solanaceae). Responsible for the teratogenicity of sprouting potatoes. alpha-Solanine is found in alcoholic beverages, garden tomato (variety), and potato. α-solanine, a bioactive component and one of the major steroidal glycoalkaloids in Solanum nigrum, has been observed to inhibit growth and induce apoptosis in cancer cells[1]. α-solanine, a bioactive component and one of the major steroidal glycoalkaloids in Solanum nigrum, has been observed to inhibit growth and induce apoptosis in cancer cells[1].

   
   
   

2-{[4-hydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

2-{[4-hydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C45H73NO15 (867.4979947999999)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-[(1s,2s,4r,5'r,6s,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-[(1s,2s,4r,5'r,6s,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C45H73NO15 (867.4979947999999)


   

(2s,3r,4s,5s,6r)-2-{[(2r,3s,4s,5r,6r)-3-hydroxy-2-(hydroxymethyl)-6-{[(1s,2s,7s,10r,11s,14s,15r,16s,17r,20s,23r)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl]oxy}-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2r,3s,4s,5r,6r)-3-hydroxy-2-(hydroxymethyl)-6-{[(1s,2s,7s,10r,11s,14s,15r,16s,17r,20s,23r)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl]oxy}-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C45H73NO15 (867.4979947999999)


   

(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5r,6s)-4-hydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]-5-{[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5r,6s)-4-hydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]-5-{[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C45H73NO15 (867.4979947999999)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4s,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4s,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C45H73NO15 (867.4979947999999)


   

2-[(3,4-dihydroxy-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol

2-[(3,4-dihydroxy-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol

C45H73NO15 (867.4979947999999)