Exact Mass: 442.0892

Exact Mass Matches: 442.0892

Found 62 metabolites which its exact mass value is equals to given mass value 442.0892, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

(-)-Epicatechin 3-O-gallate

Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)-

C22H18O10 (442.09)


(-)-epicatechin-3-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. It has a role as a metabolite, an EC 3.2.1.1 (alpha-amylase) inhibitor and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a catechin, a gallate ester and a polyphenol. It is functionally related to a (-)-epicatechin and a gallic acid. (-)-Epicatechin gallate is a natural product found in Scurrula atropurpurea, Acacia omalophylla, and other organisms with data available. Isolated from tea and numerous other plant subspecies inc. rhubarb and grapes. Epicatechin 3-gallate is found in many foods, some of which are cucumber, muskmelon, black raspberry, and cashew nut. A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. (-)-Epicatechin 3-O-gallate is found in almond. (-)-Epicatechin 3-O-gallate is isolated from tea and numerous other plant species including rhubarb and grapes. D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.

   

(-)-Catechin 3-O-gallate

Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2S-trans)-

C22H18O10 (442.09)


(-)-catechin-3-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-catechin. It has a role as a metabolite. It is a gallate ester, a polyphenol and a member of flavans. It is functionally related to a (-)-catechin and a gallic acid. It is an enantiomer of a (+)-catechin-3-O-gallate. (-)-Catechin gallate is a natural product found in Rheum palmatum, Vitis vinifera, and other organisms with data available. A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-catechin. (-)-Catechin 3-O-gallate is a polyphenol compound found in foods of plant origin (PMID: 20428313) (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes.

   

7-Galloylcatechin

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl 3,4,5-trihydroxybenzoic acid

C22H18O10 (442.09)


7-Galloylcatechin is found in herbs and spices. 7-Galloylcatechin is isolated from roots of great burnet (Sanguisorba officinalis). Isolated from roots of great burnet (Sanguisorba officinalis). Catechin 7-gallate is found in tea and herbs and spices.

   

[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-5-yl] 3,4,5-trihydroxybenzoate

[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-5-yl] 3,4,5-trihydroxybenzoate

C22H18O10 (442.09)


   

3-Galloylcatechin

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid

C22H18O10 (442.09)


Constituent of Bergenia crassifolia (Siberian tea). Catechin 3-gallate is found in many foods, some of which are macadamia nut (m. tetraphylla), tea, avocado, and pecan nut. 3-Galloylcatechin is found in almond. 3-Galloylcatechin is a constituent of Bergenia crassifolia (Siberian tea) (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.

   

Epicatechin-3-gallate

(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C22H18O10 (442.09)


   

Arteminorin A

Arteminorin A

C22H18O10 (442.09)


   

4,4-Biisofraxidin

4,4-Biisofraxidin

C22H18O10 (442.09)


   

ent-Epicatechin 3-O-gallate

(2S,3S) -3,5,7,3,4-Pentahydroxyflavan 3-O-gallate

C22H18O10 (442.09)


   

Epicatechin-3-gallate

(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C22H18O10 (442.09)


(-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.

   

Robinetinidol 3-O-gallate

(2R,3S) -3,7,3,4,5-Pentahydroxyflavan 3-O-gallate

C22H18O10 (442.09)


   

ent-Robinetinidol 3-O-gallate

ent-Robinetinidol 3-O-gallate

C22H18O10 (442.09)


   

(-)-Catechin gallate

3,4,5-Trihydroxybenzoic acid [ [ (2S) -2beta- (3,4-dihydroxyphenyl) -3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran ] -3alpha-yl ] ester

C22H18O10 (442.09)


(-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes.

   

Catechin 4-O-gallate

(2R,3S) -3,5,7,3,4-Pentahydroxyflavan 4-O-gallate

C22H18O10 (442.09)


   

Catechin 7-O-gallate

(2R,3S) -3,5,7,3,4-Pentahydroxyflavan 7-O-gallate

C22H18O10 (442.09)


   

(+)-Catechin 4-O-gallate|4-O-(3,4,5-Trihydroxybenzoyl)-(2R,3S)-3,3,4,5,7-Pentahydroxyflavan

(+)-Catechin 4-O-gallate|4-O-(3,4,5-Trihydroxybenzoyl)-(2R,3S)-3,3,4,5,7-Pentahydroxyflavan

C22H18O10 (442.09)


   

SCHEMBL18393487

SCHEMBL18393487

C22H18O10 (442.09)


   

Galloylrobidanol

Galloylrobidanol

C22H18O10 (442.09)


   

3-O-galloyl-(-)-epicatechin

3-O-galloyl-(-)-epicatechin

C22H18O10 (442.09)


   

J3.570.538D

J3.570.538D

C22H18O10 (442.09)


   

7-O-Galloyltricetiflavan

7-O-Galloyltricetiflavan

C22H18O10 (442.09)


A gallate ester obtained by the formal condensation of gallic acid with the hydroxy group at position 7 of 3,4,5,5,7-pentahydroxyflavan. Isolated from the leaves of Pithecellobium clypearia, it exhibits antiviral activity.

   
   

catechin gallate

(-)-Catechin gallate

C22H18O10 (442.09)


(-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes.

   

[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

NCGC00179135-03![(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

C22H18O10 (442.09)


   

[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate

NCGC00385833-01![(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate

C22H18O10 (442.09)


   

(-)-Epicatechin gallate

(-)-Epicatechin-3-O-gallate

C22H18O10 (442.09)


(-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.

   

EPICATECHIN 3-O-GALLATE

EPICATECHIN 3-O-GALLATE

C22H18O10 (442.09)


   

epicatechin-3-O-gallate

epicatechin-3-O-gallate

C22H18O10 (442.09)


   

Epicatechingallate

Epicatechingallate

C22H18O10 (442.09)


   

epicatechin gallate

epicatechin gallate

C22H18O10 (442.09)


(-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.

   

[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate

[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate

C22H18O10 (442.09)


   

epicatechin monogallate

epicatechin monogallate

C22H18O10 (442.09)


(-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.

   

[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate [IIN-based on: CCMSLIB00000848607]

NCGC00385833-01![(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate [IIN-based on: CCMSLIB00000848607]

C22H18O10 (442.09)


   

[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate [IIN-based: Match]

NCGC00385833-01![(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate [IIN-based: Match]

C22H18O10 (442.09)


   

Catechin 3-O-gallate

Catechin 3-O-gallate

C22H18O10 (442.09)


   

(-)-Epicatechin 3-O-gallate

(-)-Epicatechin 3-O-gallate

C22H18O10 (442.09)


   

Catechin 5-O-gallate

Catechin 5-O-gallate

C22H18O10 (442.09)


   

Icosyl palmitate

2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate

C22H18O10 (442.09)


   

(-)-Epicatechin-5-gallate

(-)-Epicatechin-5-gallate

C22H18O10 (442.09)


A gallate ester resulting from the formal condensation of gallic acid with 5-hydroxy group of (-)-epicatechin. Isolated from Orostachys japonica, it acts as an inhibitor of the enzyme mu-calpain (EC 3.4.22.52).

   

863-03-6

Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, cis-

C22H18O10 (442.09)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.

   

E3893_SIAL

Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)-

C22H18O10 (442.09)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.

   

(+)-Catechin gallate

(+)-Catechin gallate

C22H18O10 (442.09)


   

(6-Bromo-5-methoxy-2-methyl-3-benzofuranyl)-[4-(2-methylphenyl)-1-piperazinyl]methanone

(6-Bromo-5-methoxy-2-methyl-3-benzofuranyl)-[4-(2-methylphenyl)-1-piperazinyl]methanone

C22H23BrN2O3 (442.0892)


   

(-)-epicatechingallate

(-)-epicatechingallate

C22H18O10 (442.09)


   

epicatechin-3-gallate

epicatechin-3-gallate

C22H18O10 (442.09)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents

   

7-Galloylcatechin

7-Galloylcatechin

C22H18O10 (442.09)


   

(+)-epicatechin-3-O-gallate

(+)-epicatechin-3-O-gallate

C22H18O10 (442.09)


A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-epicatechin.

   

(+)-catechin-3-O-gallate

(+)-catechin-3-O-gallate

C22H18O10 (442.09)


A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-catechin.

   

3- o -galloyl- ent -catechin

NA

C22H18O10 (442.09)


{"Ingredient_id": "HBIN009326","Ingredient_name": "3- o -galloyl- ent -catechin","Alias": "NA","Ingredient_formula": "C22H18O10","Ingredient_Smile": "NA","Ingredient_weight": "442.378","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8512","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2s,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 2,3,4-trihydroxybenzoate

(2s,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 2,3,4-trihydroxybenzoate

C22H18O10 (442.09)


   

7,7'-dihydroxy-6,6',8,8'-tetramethoxy-[4,4'-bichromene]-2,2'-dione

7,7'-dihydroxy-6,6',8,8'-tetramethoxy-[4,4'-bichromene]-2,2'-dione

C22H18O10 (442.09)


   

catechin 4'-o-gallate

catechin 4'-o-gallate

C22H18O10 (442.09)


   

(2r)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate

(2r)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate

C22H18O10 (442.09)


   

2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl 3,4,5-trihydroxybenzoate

2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl 3,4,5-trihydroxybenzoate

C22H18O10 (442.09)


   

(2s)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate

(2s)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate

C22H18O10 (442.09)


   

2-hydroxy-4-(3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)phenyl 3,4,5-trihydroxybenzoate

2-hydroxy-4-(3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)phenyl 3,4,5-trihydroxybenzoate

C22H18O10 (442.09)


   

6,6',8,8'-tetrahydroxy-7,7'-dimethoxy-3,3'-dimethyl-[5,5'-biisochromene]-1,1'-dione

6,6',8,8'-tetrahydroxy-7,7'-dimethoxy-3,3'-dimethyl-[5,5'-biisochromene]-1,1'-dione

C22H18O10 (442.09)


   

3-[(6,8-dimethoxy-2-oxochromen-7-yl)oxy]-7-hydroxy-6,8-dimethoxychromen-2-one

3-[(6,8-dimethoxy-2-oxochromen-7-yl)oxy]-7-hydroxy-6,8-dimethoxychromen-2-one

C22H18O10 (442.09)


   

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 2,3,4-trihydroxybenzoate

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 2,3,4-trihydroxybenzoate

C22H18O10 (442.09)


   

2,7-dihydroxy-1-methoxy-4,6,11-trioxo-3-propanoyl-4a,12-dihydro-1h-5-oxatetracene-12a-carboxylic acid

2,7-dihydroxy-1-methoxy-4,6,11-trioxo-3-propanoyl-4a,12-dihydro-1h-5-oxatetracene-12a-carboxylic acid

C22H18O10 (442.09)


   

catechin 3'-o-gallate

catechin 3'-o-gallate

C22H18O10 (442.09)


   

2-hydroxy-5-(3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)phenyl 3,4,5-trihydroxybenzoate

2-hydroxy-5-(3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)phenyl 3,4,5-trihydroxybenzoate

C22H18O10 (442.09)