Exact Mass: 721.4401

Exact Mass Matches: 721.4401

Found 30 metabolites which its exact mass value is equals to given mass value 721.4401, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

gamma2-Solamarine

2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2-piperidine]-16-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


gamma2-Solamarine is found in root vegetables. gamma2-Solamarine is an alkaloid from Solanum juzepczukii (bitter potato Alkaloid from Solanum juzepczukii (bitter potato). gamma2-Solamarine is found in root vegetables. Khasianine is a steroidal glycoalkaloid which is obtained from black nightshade (Solanum Nigrum L.), which displays antitumor activity.[1] Khasianine is a steroidal glycoalkaloid which is obtained from black nightshade (Solanum Nigrum L.), which displays antitumor activity.[1]

   

beta-Solanine

2-{[3,5-dihydroxy-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)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C39H63NO11 (721.4401)


beta-Solanine is found in alcoholic beverages. beta-Solanine is an alkaloid from potato species (Solanum tuberosum and Solanum chacoense, Solanaceae). Alkaloid from potato subspecies (Solanum tuberosum and Solanum chacoense, Solanaceae). beta-Solanine is found in alcoholic beverages and potato.

   

beta1-Solamargine

beta1-Solamargine

C39H63NO11 (721.4401)


   
   
   
   

rubijervine 3-O-beta-D-glucopyranosyl-(4?1)-alpha-L-rhamnopyranoside

rubijervine 3-O-beta-D-glucopyranosyl-(4?1)-alpha-L-rhamnopyranoside

C39H63NO11 (721.4401)


   

(3beta)-14-hydroxysolanid-5-en-3-yl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

(3beta)-14-hydroxysolanid-5-en-3-yl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

C39H63NO11 (721.4401)


   
   

Solasurine

(2R,3R,4S,5S,6R)-6-[[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-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]oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol

C39H63NO11 (721.4401)


   

Solanidine base + O-Hex-Hex

Solanidine base + O-Hex-Hex

C39H63NO11 (721.4401)


Annotation level-3

   

Khasianine

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}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


Khasianine is a steroidal glycoalkaloid which is obtained from black nightshade (Solanum Nigrum L.), which displays antitumor activity.[1] Khasianine is a steroidal glycoalkaloid which is obtained from black nightshade (Solanum Nigrum L.), which displays antitumor activity.[1]

   

b-Solanine

2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{15,23}.0^{17,22}]tetracos-4-en-7-yl}oxy)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C39H63NO11 (721.4401)


   
   

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-[(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]oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-[(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]oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C39H63NO11 (721.4401)


   

β1-solasonine

NA

C39H63NO11 (721.4401)


{"Ingredient_id": "HBIN017941","Ingredient_name": "\u03b21-solasonine","Alias": "NA","Ingredient_formula": "C39H63NO11","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C)NC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37262","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

beta-solamargine

β-solamargine

C39H63NO11 (721.4401)


{"Ingredient_id": "HBIN018328","Ingredient_name": "beta-solamargine","Alias": "\u03b2-solamargine","Ingredient_formula": "C39H63NO11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25274;20029","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{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}-6-methyloxane-3,4,5-triol

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{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}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,5's,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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,5's,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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

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

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

C39H63NO11 (721.4401)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1r,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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1r,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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(9s,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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(9s,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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1s,2s,4s,5's,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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1s,2s,4s,5's,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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,6r,8s,9s,12r,13r)-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}-6-methyloxane-3,4,5-triol

2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,6r,8s,9s,12r,13r)-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}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,5'r,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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1s,2s,4s,5'r,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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

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}-6-methyloxane-3,4,5-triol

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}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1s,2r,4s,5'r,6r,7s,8s,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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1s,2r,4s,5'r,6r,7s,8s,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]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO11 (721.4401)


   

(2s,3s,4r,5r,6s)-6-({[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-methyl-6-[(1r,2s,4r,5's,6r,7r,8r,9s,12s,13r,16r)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-4-yl]oxy}methyl)oxane-2,3,4,5-tetrol

(2s,3s,4r,5r,6s)-6-({[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-methyl-6-[(1r,2s,4r,5's,6r,7r,8r,9s,12s,13r,16r)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy]oxan-4-yl]oxy}methyl)oxane-2,3,4,5-tetrol

C39H63NO11 (721.4401)