Exact Mass: 448.0738

Exact Mass Matches: 448.0738

Found 62 metabolites which its exact mass value is equals to given mass value 448.0738, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione

8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4H-chromen-4-one

C24H16O9 (448.0794)


2,3-Dihydro-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)[3,8-bi-4H-1-benzopyran]-4,4-dione is found in fruits. 2,3-Dihydro-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)[3,8-bi-4H-1-benzopyran]-4,4-dione is isolated from leaves of Garcinia dulcis (mundu). Isolated from leaves of Garcinia dulcis (mundu). 2,3-Dihydro-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)[3,8-bi-4H-1-benzopyran]-4,4-dione is found in fruits.

   

Curcumin sulfate

{4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl]-2-methoxyphenyl}oxidanesulphonic acid

C21H20O9S (448.0828)


   

Ellagic acid 2-rhamnoside

7,13,14-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

C20H16O12 (448.0642)


Ellagic acid 2-rhamnoside is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Ellagic acid 2-rhamnoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Ellagic acid 2-rhamnoside can be found in pomegranate, which makes ellagic acid 2-rhamnoside a potential biomarker for the consumption of this food product.

   

6-methylthiohexylglucosinolate

[7-(Methylsulphanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}heptylidene]amino sulphuric acid

C14H26NO9S3 (448.077)


6-methylthiohexylglucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 6-methylthiohexylglucosinolate can be found in a number of food items such as chinese cabbage, soy bean, mixed nuts, and evergreen huckleberry, which makes 6-methylthiohexylglucosinolate a potential biomarker for the consumption of these food products.

   

SCHEMBL1699342

SCHEMBL1699342

C20H16O12 (448.0642)


   
   

EP_M449

EP_M449

C20H18ClFN4O3S (448.0772)


CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2202

   

3-O-methylellagic acid 4-O-beta-D-xylopyranoside

3-O-methylellagic acid 4-O-beta-D-xylopyranoside

C20H16O12 (448.0642)


   
   
   

3-O-methylellagic acid 3-O-beta-D-xylopyranoside

3-O-methylellagic acid 3-O-beta-D-xylopyranoside

C20H16O12 (448.0642)


   

(+/-)-(3E,6S*,7R*,95*,10S*,12R*)-9-chloro-13-bromo-6:12-epoxy-7,10-diacetoxypentadec-3-en-1-yne

(+/-)-(3E,6S*,7R*,95*,10S*,12R*)-9-chloro-13-bromo-6:12-epoxy-7,10-diacetoxypentadec-3-en-1-yne

C19H26BrClO5 (448.0652)


   
   

Fasciculin A

Fasciculin A

C24H16O9 (448.0794)


   

GW842166X

2-((2,4-dichlorophenyl)amino)-N-((tetrahydro-2H-pyran-4-yl)methyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

C18H17Cl2F3N4O2 (448.0681)


   

GW 842166X

2-[(2,4-dichlorophenyl)amino]-N-[(tetrahydro-2H-pyran-4-yl)methyl]-4-(trifluoromethyl)-5-pyrimidinecarboxamide

C18H17Cl2F3N4O2 (448.0681)


   

4'',5,5',7,7'-Pentahydroxyflavanone-(3,8)-chromone

8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4H-chromen-4-one

C24H16O9 (448.0794)


   

Calcium gluconate 1-hydrate

Calcium gluconate 1-hydrate

C12H24CaO15 (448.0741)


   

sodium 3-[[3-methoxy-4-[(4-methoxyphenyl)azo]phenyl]azo]benzenesulphonate

sodium 3-[[3-methoxy-4-[(4-methoxyphenyl)azo]phenyl]azo]benzenesulphonate

C20H17N4NaO5S (448.0817)


   

XL147

N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide

C21H16N6O2S2 (448.0776)


   

Chloro(2-ethyl-1,3-cyclopentadien-1-yl)nickel - triphenylphosphin e (1:1)

Chloro(2-ethyl-1,3-cyclopentadien-1-yl)nickel - triphenylphosphin e (1:1)

C25H24ClNiP (448.0658)


   

Calcium gluconate monohydrate

Calcium D-gluconate monohydrate

C12H24CaO15 (448.0741)


   
   

3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide

3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide

C20H20N2O6S2 (448.0763)


   
   

n,n-dibenzoyl-l-cystine

n,n-dibenzoyl-l-cystine

C20H20N2O6S2 (448.0763)


   

Stannane,bromotricyclohexyl-

Stannane,bromotricyclohexyl-

C18H33BrSn (448.0787)


   

di-n-butylbis(1-thioglycerol)tin

di-n-butylbis(1-thioglycerol)tin

C14H32O4S2Sn (448.0764)


   

5-(phenylsulfonyl)-N-(piperidin-4-yl)-2-(trifluoromethyl)benzenesulfonamide

5-(phenylsulfonyl)-N-(piperidin-4-yl)-2-(trifluoromethyl)benzenesulfonamide

C18H19F3N2O4S2 (448.0738)


   

S-[(2S)-1-(2-chlorophenyl)-2-(4-fluorophenyl)-1-oxo-3-(1H-1,2,4-triazol-1-yl)propan-2-yl]-L-cysteine

S-[(2S)-1-(2-chlorophenyl)-2-(4-fluorophenyl)-1-oxo-3-(1H-1,2,4-triazol-1-yl)propan-2-yl]-L-cysteine

C20H18ClFN4O3S (448.0772)


   

6-(Methylthio)hexyl-glucosinolate

6-(Methylthio)hexyl-glucosinolate

C14H26NO9S3- (448.077)


   

6-methylthiohexylglucosinolate

6-methylthiohexylglucosinolate

C14H26NO9S3- (448.077)


   

Eschweilenol C

Eschweilenol C

C20H16O12 (448.0642)


   

N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide

N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide

C19H20N4O3S3 (448.0697)


   
   

(+)-isomalbrancheamide D

(+)-isomalbrancheamide D

C21H24BrClN3O+ (448.0791)


   

N-[3-(2,1,3-benzothiadiazol-4-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamide

N-[3-(2,1,3-benzothiadiazol-4-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamide

C21H16N6O2S2 (448.0776)


   

Curcumin sulfate

Curcumin Sulfate Sodium Salt

C21H20O9S (448.0828)


   

2,3-Dihydro-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)[3,8-bi-4H-1-benzopyran]-4,4-dione

2,3-Dihydro-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)[3,8-bi-4H-1-benzopyran]-4,4-dione

C24H16O9 (448.0794)


   

(16s,17r)-17-(3,4-dihydroxyphenyl)-6,11,16-trihydroxy-2,12,18-trioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),3,6,8,10,13,19-heptaen-5-one

(16s,17r)-17-(3,4-dihydroxyphenyl)-6,11,16-trihydroxy-2,12,18-trioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),3,6,8,10,13,19-heptaen-5-one

C24H16O9 (448.0794)


   

6,14-dihydroxy-7-methoxy-13-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

6,14-dihydroxy-7-methoxy-13-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

C20H16O12 (448.0642)


   

(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-[(1s)-1-bromopropyl]-5-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate

(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-[(1s)-1-bromopropyl]-5-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate

C19H26BrClO5 (448.0652)


   

6,14-dihydroxy-7-methoxy-13-{[(2r,3r,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

6,14-dihydroxy-7-methoxy-13-{[(2r,3r,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

C20H16O12 (448.0642)


   

6,7-dihydroxy-14-methoxy-13-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

6,7-dihydroxy-14-methoxy-13-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

C20H16O12 (448.0642)


   

3-O-methylellagic acid-4'-O-β-D-xylopyroside

NA

C20H16O12 (448.0642)


{"Ingredient_id": "HBIN009353","Ingredient_name": "3-O-methylellagic acid-4'-O-\u03b2-D-xylopyroside","Alias": "NA","Ingredient_formula": "C20H16O12","Ingredient_Smile": "COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O)OC5C(C(C(CO5)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38693","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-(α-rhamnopyranosyl)ellagicacid

NA

C20H16O12 (448.0642)


{"Ingredient_id": "HBIN010211","Ingredient_name": "4-(\u03b1-rhamnopyranosyl)ellagicacid","Alias": "NA","Ingredient_formula": "C20H16O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "18682","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

8-[(2s,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5,7-dihydroxychromen-4-one

8-[(2s,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5,7-dihydroxychromen-4-one

C24H16O9 (448.0794)


   

(16r,17r)-17-(3,4-dihydroxyphenyl)-6,11,16-trihydroxy-2,12,18-trioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),3,6,8,10,13,19-heptaen-5-one

(16r,17r)-17-(3,4-dihydroxyphenyl)-6,11,16-trihydroxy-2,12,18-trioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),3,6,8,10,13,19-heptaen-5-one

C24H16O9 (448.0794)


   

6,14-dihydroxy-7-methoxy-13-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

6,14-dihydroxy-7-methoxy-13-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

C20H16O12 (448.0642)


   

5,10,13,17,19-pentahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaene-6-carboxylic acid

5,10,13,17,19-pentahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaene-6-carboxylic acid

C24H16O9 (448.0794)


   

17-(3,4-dihydroxyphenyl)-5,6,16-trihydroxy-2,12,18-trioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),3,5,7,9,13,19-heptaen-11-one

17-(3,4-dihydroxyphenyl)-5,6,16-trihydroxy-2,12,18-trioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),3,5,7,9,13,19-heptaen-11-one

C24H16O9 (448.0794)


   

7,13,14-trihydroxy-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

7,13,14-trihydroxy-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

C20H16O12 (448.0642)


   

(16r,17r)-17-(3,4-dihydroxyphenyl)-5,6,16-trihydroxy-2,12,18-trioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),3,5,7,9,13,19-heptaen-11-one

(16r,17r)-17-(3,4-dihydroxyphenyl)-5,6,16-trihydroxy-2,12,18-trioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),3,5,7,9,13,19-heptaen-11-one

C24H16O9 (448.0794)


   

(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-[(1s)-1-bromopropyl]-5-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate

(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-[(1s)-1-bromopropyl]-5-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate

C19H26BrClO5 (448.0652)


   

(10r)-2,5,10,17,19-pentahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1,3(12),4(9),5,7,13,16,18,20-nonaene-6-carboxylic acid

(10r)-2,5,10,17,19-pentahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1,3(12),4(9),5,7,13,16,18,20-nonaene-6-carboxylic acid

C24H16O9 (448.0794)


   

7-(acetyloxy)-2-(1-bromopropyl)-5-chloro-8-(pent-2-en-4-yn-1-yl)oxocan-4-yl acetate

7-(acetyloxy)-2-(1-bromopropyl)-5-chloro-8-(pent-2-en-4-yn-1-yl)oxocan-4-yl acetate

C19H26BrClO5 (448.0652)


   

(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-[(1r)-1-bromopropyl]-5-chloro-8-(pent-2-en-4-yn-1-yl)oxocan-4-yl acetate

(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-[(1r)-1-bromopropyl]-5-chloro-8-(pent-2-en-4-yn-1-yl)oxocan-4-yl acetate

C19H26BrClO5 (448.0652)


   

(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-[(1r)-1-bromopropyl]-5-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate

(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-[(1r)-1-bromopropyl]-5-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate

C19H26BrClO5 (448.0652)


   

6,7-dihydroxy-14-methoxy-13-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

6,7-dihydroxy-14-methoxy-13-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

C20H16O12 (448.0642)


   

(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-(1-bromopropyl)-5-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate

(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-(1-bromopropyl)-5-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate

C19H26BrClO5 (448.0652)


   

6,13-dihydroxy-7-methoxy-14-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

6,13-dihydroxy-7-methoxy-14-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

C20H16O12 (448.0642)


   

(16s,17r)-17-(3,4-dihydroxyphenyl)-5,6,16-trihydroxy-2,12,18-trioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),3,5,7,9,13,19-heptaen-11-one

(16s,17r)-17-(3,4-dihydroxyphenyl)-5,6,16-trihydroxy-2,12,18-trioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),3,5,7,9,13,19-heptaen-11-one

C24H16O9 (448.0794)