Exact Mass: 960.2899

Exact Mass Matches: 960.2899

Found 21 metabolites which its exact mass value is equals to given mass value 960.2899, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

1,2,2'-Trisinapoylgentiobioside

6-{[(4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C45H52O23 (960.2899)


1,2,2-Trisinapoylgentiobioside is found in brassicas. 1,2,2-Trisinapoylgentiobioside is a constituent of broccoli florets. Constituent of broccoli florets. 1,2,2-Trisinapoylgentiobioside is found in broccoli and brassicas.

   

1,2,6-tri-O-(E)-sinapoyl-beta-gentiobiose|1,2,6-Tri-O-E-sinapoyl-??-gentiobiose

1,2,6-tri-O-(E)-sinapoyl-beta-gentiobiose|1,2,6-Tri-O-E-sinapoyl-??-gentiobiose

C45H52O23 (960.2899)


   
   

Emarginatine B

Emarginatine B

C48H52N2O19 (960.3164)


A sesquiterpene alkaloid that is a macrolide incorporating a substituted dihydroagarofuran and a pyrindine ring. Isolated from Maytenus emarginata, it exhibits cytotoxicity against human KB cells.

   

beta-D-(3,4-disinapoyl)fructofuranosyl-alpha-D-(6-sinapoyl)glucopyranoside

beta-D-(3,4-disinapoyl)fructofuranosyl-alpha-D-(6-sinapoyl)glucopyranoside

C45H52O23 (960.2899)


   

4?-O-acetylkaempferol-3-O-alpha-L-rhamnopyranosyl-(1?2)-beta-D-glucopyranoside-7-O-[2-O-(trans-p-coumaroyl)]-beta-D-glucopyranoside

4?-O-acetylkaempferol-3-O-alpha-L-rhamnopyranosyl-(1?2)-beta-D-glucopyranoside-7-O-[2-O-(trans-p-coumaroyl)]-beta-D-glucopyranoside

C44H48O24 (960.2535)


   

1,2,2'-Trisinapoylgentiobioside

6-{[(4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C45H52O23 (960.2899)


   

(8beta)-8-(acetyloxy)-9-O-benzoyl-2-O-9-O-dideacetyl-8-deoxo-2-O-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbony]levonine

(8beta)-8-(acetyloxy)-9-O-benzoyl-2-O-9-O-dideacetyl-8-deoxo-2-O-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbony]levonine

C48H52N2O19 (960.3164)


   

1,2,2-Trisinapoylgentiobioside

1,2,2-Trisinapoylgentiobioside

C45H52O23 (960.2899)


   

[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2s,3s,4r,5r)-4-hydroxy-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-5-({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)-2-(hydroxymethyl)oxolan-2-yl]oxy}oxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2s,3s,4r,5r)-4-hydroxy-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-5-({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)-2-(hydroxymethyl)oxolan-2-yl]oxy}oxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C45H52O23 (960.2899)


   

1,2,2'-tri-o-e-sinapoyl-β-gentiobiose

NA

C45H52O23 (960.2899)


{"Ingredient_id": "HBIN000552","Ingredient_name": "1,2,2'-tri-o-e-sinapoyl-\u03b2-gentiobiose","Alias": "NA","Ingredient_formula": "C45H52O23","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(OC2OCC3C(C(C(C(O3)OC(=O)C=CC4=CC(=C(C(=C4)OC)O)OC)OC(=O)C=CC5=CC(=C(C(=C5)OC)O)OC)O)O)CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22020","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

1,2,6'-tri-o-e-sinapoyl-β-gentiobiose

NA

C45H52O23 (960.2899)


{"Ingredient_id": "HBIN000687","Ingredient_name": "1,2,6'-tri-o-e-sinapoyl-\u03b2-gentiobiose","Alias": "NA","Ingredient_formula": "C45H52O23","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC(=O)C=CC4=CC(=C(C(=C4)OC)O)OC)OC(=O)C=CC5=CC(=C(C(=C5)OC)O)OC)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22021","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

21,22,24-tris(acetyloxy)-20-[(acetyloxy)methyl]-19-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-18-yl 1-methyl-6-oxopyridine-3-carboxylate

21,22,24-tris(acetyloxy)-20-[(acetyloxy)methyl]-19-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-18-yl 1-methyl-6-oxopyridine-3-carboxylate

C48H52N2O19 (960.3164)


   

[(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

[(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C45H52O23 (960.2899)


   

[(2r,3s,4s,5r,6r)-6-{[(2s,3s,4r,5r)-3,4-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

[(2r,3s,4s,5r,6r)-6-{[(2s,3s,4r,5r)-3,4-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C45H52O23 (960.2899)


   

6-{[(4,5-dihydroxy-3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-4,5-dihydroxy-3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

6-{[(4,5-dihydroxy-3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-4,5-dihydroxy-3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C45H52O23 (960.2899)


   

(1s,3r,13r,14s,17s,18r,19r,20r,21s,22r,23r,24r,25s)-21,22,24-tris(acetyloxy)-20-[(acetyloxy)methyl]-19-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-18-yl 1-methyl-6-oxopyridine-3-carboxylate

(1s,3r,13r,14s,17s,18r,19r,20r,21s,22r,23r,24r,25s)-21,22,24-tris(acetyloxy)-20-[(acetyloxy)methyl]-19-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-18-yl 1-methyl-6-oxopyridine-3-carboxylate

C48H52N2O19 (960.3164)


   

(1s,14r,17s,23r,24r,25s)-19,22,24-tris(acetyloxy)-20-[(acetyloxy)methyl]-21-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-18-yl 1-methyl-6-oxopyridine-3-carboxylate

(1s,14r,17s,23r,24r,25s)-19,22,24-tris(acetyloxy)-20-[(acetyloxy)methyl]-21-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-18-yl 1-methyl-6-oxopyridine-3-carboxylate

C48H52N2O19 (960.3164)


   

(6-{[3,4-dihydroxy-5,6-bis({[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

(6-{[3,4-dihydroxy-5,6-bis({[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C45H52O23 (960.2899)


   

(2s,3r,4s,5s,6r)-6-({[(2r,3r,4s,5s,6r)-4,5-dihydroxy-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4,5-dihydroxy-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

(2s,3r,4s,5s,6r)-6-({[(2r,3r,4s,5s,6r)-4,5-dihydroxy-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4,5-dihydroxy-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C45H52O23 (960.2899)


   

(6-{[3,4-bis({[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

(6-{[3,4-bis({[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C45H52O23 (960.2899)