Exact Mass: 646.3717

Exact Mass Matches: 646.3717

Found 31 metabolites which its exact mass value is equals to given mass value 646.3717, within given mass tolerance error 0.0002 dalton. Try search metabolite list with more accurate mass tolerance error 4.0E-5 dalton.

Abrusoside A

(1S,3R,6S,7S,8R,11S,12S,16R)-7,12,16-Trimethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

C36H54O10 (646.3717)


A triterpenoid saponin that is (22S,24Z)-3beta-hydroxy-26-oxo-22,26-epoxy-9beta,19-cyclolanost-24-en-28-oic acid having a beta-D-glucosyl residue attached at position 3 via a glycosidic bond.

   

Gypsogenin 3-O-b-D-glucuronide

6-[(8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C36H54O10 (646.3717)


Gypsogenin 3-O-b-D-glucuronide is found in fruits. Gypsogenin 3-O-b-D-glucuronide is a constituent of the famine food Momordica dioica. Constituent of the famine food Momordica dioica. Gypsogenin 3-O-b-D-glucuronide is found in fruits.

   

Monoglucuronylglycyrrhetinic acid

6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C36H54O10 (646.3717)


Monoglucuronylglycyrrhetinic acid is a sweetener about 940 times sweeter than sucrose. Sweetener ca. 940 times sweeter than sucrose Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener. Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener.

   

3-MGA

(2~{S},3~{S},4~{S},5~{R},6~{R})-6-[[(3~{S},4~{a}~{R},6~{a}~{R},6~{b}~{S},8~{a}~{S},11~{S},12~{a}~{R},14~{a}~{R},14~{b}~{S})-11-carboxy-4,4,6~{a},6~{b},8~{a},11,14~{b}-heptamethyl-14-oxidanylidene-2,3,4~{a},5,6,7,8,9,10,12,12~{a},14~{a}-dodecahydro-1~{H}-picen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

C36H54O10 (646.3717)


Glycyrrhetic acid 3-O-glucuronide is a triterpenoid saponin that is the 3-O-beta-glucuronide of glycyrrhetic acid. It is a metabolite of glycyrrhizin contained in licorice and potentially a causative agent in the pathogenesis of pseudoaldosteronism. It has a role as an anti-allergic agent, a sweetening agent, an EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor, a human xenobiotic metabolite and a plant metabolite. It is a monosaccharide derivative, a beta-D-glucosiduronic acid, a triterpenoid saponin, a pentacyclic triterpenoid, an oxo dicarboxylic acid and an enone. It is functionally related to a glycyrrhetinic acid. A triterpenoid saponin that is the 3-O-beta-glucuronide of glycyrrhetic acid. It is a metabolite of glycyrrhizin contained in licorice and potentially a causative agent in the pathogenesis of pseudoaldosteronism. Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener. Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener.

   

Gypsogenin-3-O-glucuronide

Gypsogenin-3-O-glucuronide

C36H54O10 (646.3717)


   
   

6-methylspinosyn beta

6-methylspinosyn beta

C36H54O10 (646.3717)


   

3beta-hydroxy-22-oxo-12-oleanen-29-oic acid 3-O-beta-D-glucuropyranoside|caraganin A

3beta-hydroxy-22-oxo-12-oleanen-29-oic acid 3-O-beta-D-glucuropyranoside|caraganin A

C36H54O10 (646.3717)


   

11alpha,12alpha-epoxy-3beta-[(O-beta-D-glucuronopyranosyl)oxy]olean-28,13-olide

11alpha,12alpha-epoxy-3beta-[(O-beta-D-glucuronopyranosyl)oxy]olean-28,13-olide

C36H54O10 (646.3717)


   

3beta-hydroxyursa-12,18-diene-24,28-dioic acid 28-O-beta-D-glucopyranoside|ilexhainanoside A

3beta-hydroxyursa-12,18-diene-24,28-dioic acid 28-O-beta-D-glucopyranoside|ilexhainanoside A

C36H54O10 (646.3717)


   

Vaccaroside

6-[(8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C36H54O10 (646.3717)


   

glycyrrhetyl 3-monoglucuronide

6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C36H54O10 (646.3717)


Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener. Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener.

   

(1S,3R,6S,7S,8R,11S,12S,16R)-7,12,16-Trimethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

(1S,3R,6S,7S,8R,11S,12S,16R)-7,12,16-Trimethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

C36H54O10 (646.3717)


   

Monoglucuronylglycyrrhetinic acid

glycyrrhetinic acid 3-O-mono-beta-D-glucuronide

C36H54O10 (646.3717)


Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener. Glycyrrhetic acid 3-O-β-D-glucuronide, isolated from glycyrrhiza, is an important derivative of glycyrrhizin (GL) with an anti -allergic activity[1]. Glycyrrhetic acid 3-O-β-D-glucuronide (GAMG) shows that β‐glucuronidases (β‐GUS) are key GAMG-producing enzymes, displaying a high potential to convert GL directly into GAMG[2].Glycyrrhetic acid 3-O-β-D-glucuronide is valuable as a sweetener.

   
   

(2s,3s,4s,5r,6r)-6-{[(3s,4s,4ar,6ar,6bs,8as,12as,14ar,14br)-8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

(2s,3s,4s,5r,6r)-6-{[(3s,4s,4ar,6ar,6bs,8as,12as,14ar,14br)-8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C36H54O10 (646.3717)


   

6-({6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.0¹,¹⁵.0²,⁴.0⁵,¹⁴.0⁶,¹¹.0¹⁸,²³]pentacosan-9-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

6-({6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.0¹,¹⁵.0²,⁴.0⁵,¹⁴.0⁶,¹¹.0¹⁸,²³]pentacosan-9-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C36H54O10 (646.3717)


   

(2s,3s,4s,5r,6r)-6-{[(1s,2s,4s,5r,6s,9s,11r,14r,15s,18s,23r)-6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.0¹,¹⁵.0²,⁴.0⁵,¹⁴.0⁶,¹¹.0¹⁸,²³]pentacosan-9-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

(2s,3s,4s,5r,6r)-6-{[(1s,2s,4s,5r,6s,9s,11r,14r,15s,18s,23r)-6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.0¹,¹⁵.0²,⁴.0⁵,¹⁴.0⁶,¹¹.0¹⁸,²³]pentacosan-9-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C36H54O10 (646.3717)


   

acetylcimifugoside

NA

C36H54O10 (646.3717)


{"Ingredient_id": "HBIN014468","Ingredient_name": "acetylcimifugoside","Alias": "NA","Ingredient_formula": "C36H54O10","Ingredient_Smile": "CC(=O)OC(C)(C)C1C2CCC3C4(CCC56CC57CCC(C(C7CC=C6C4(C(C3(O2)O1)O)C)(C)C)OC8C(C(C(CO8)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "352","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3,10-tris(acetyloxy)-5-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-9-yl decanoate

(1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3,10-tris(acetyloxy)-5-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-9-yl decanoate

C36H54O10 (646.3717)


   

6-{[3a-carboxy-8-formyl-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

6-{[3a-carboxy-8-formyl-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C36H54O10 (646.3717)


   

(1r,3r,5r,6ar,7r,8r,9s,10s,10ar)-1,3,10-tris(acetyloxy)-5-hydroxy-7,8-dimethyl-7-[(2z)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-9-yl decanoate

(1r,3r,5r,6ar,7r,8r,9s,10s,10ar)-1,3,10-tris(acetyloxy)-5-hydroxy-7,8-dimethyl-7-[(2z)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-9-yl decanoate

C36H54O10 (646.3717)


   

(1s,3r,6s,7s,8r,11s,12s,16r)-7,12,16-trimethyl-15-[(1s)-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid

(1s,3r,6s,7s,8r,11s,12s,16r)-7,12,16-trimethyl-15-[(1s)-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid

C36H54O10 (646.3717)


   

(2s,3s,3ar,5as,5bs,9r,13s,14r,16as,16bs)-9-[(1e)-but-1-en-1-yl]-3,13-dihydroxy-4,14-dimethyl-2-{[(2s,3r,4r,5s,6s)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1h,2h,3h,3ah,5ah,5bh,6h,9h,10h,11h,12h,13h,14h,16ah,16bh-as-indaceno[3,2-d]oxacyclododecane-7,15-dione

(2s,3s,3ar,5as,5bs,9r,13s,14r,16as,16bs)-9-[(1e)-but-1-en-1-yl]-3,13-dihydroxy-4,14-dimethyl-2-{[(2s,3r,4r,5s,6s)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1h,2h,3h,3ah,5ah,5bh,6h,9h,10h,11h,12h,13h,14h,16ah,16bh-as-indaceno[3,2-d]oxacyclododecane-7,15-dione

C36H54O10 (646.3717)


   

(2s,3s,4s,5r,6r)-6-{[(1r,3as,5ar,5br,7ar,8s,9s,11ar,11br,13ar,13br)-3a-carboxy-8-formyl-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

(2s,3s,4s,5r,6r)-6-{[(1r,3as,5ar,5br,7ar,8s,9s,11ar,11br,13ar,13br)-3a-carboxy-8-formyl-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C36H54O10 (646.3717)


   

9-(but-1-en-1-yl)-3,13-dihydroxy-4,14-dimethyl-2-[(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy]-1h,2h,3h,3ah,5ah,5bh,6h,9h,10h,11h,12h,13h,14h,16ah,16bh-as-indaceno[3,2-d]oxacyclododecane-7,15-dione

9-(but-1-en-1-yl)-3,13-dihydroxy-4,14-dimethyl-2-[(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy]-1h,2h,3h,3ah,5ah,5bh,6h,9h,10h,11h,12h,13h,14h,16ah,16bh-as-indaceno[3,2-d]oxacyclododecane-7,15-dione

C36H54O10 (646.3717)


   

(2s,3s,4s,5r,6r)-6-{[(4s,4ar,6ar,6bs,8as,14ar,14br)-8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

(2s,3s,4s,5r,6r)-6-{[(4s,4ar,6ar,6bs,8as,14ar,14br)-8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C36H54O10 (646.3717)


   

1,3,10-tris(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-9-yl decanoate

1,3,10-tris(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-9-yl decanoate

C36H54O10 (646.3717)


   

7,12,16-trimethyl-15-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid

7,12,16-trimethyl-15-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid

C36H54O10 (646.3717)


   

(1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3,10-tris(acetyloxy)-5-hydroxy-7,8-dimethyl-7-[(2z)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-9-yl decanoate

(1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3,10-tris(acetyloxy)-5-hydroxy-7,8-dimethyl-7-[(2z)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-9-yl decanoate

C36H54O10 (646.3717)