Exact Mass: 784.0768482
Exact Mass Matches: 784.0768482
Found 50 metabolites which its exact mass value is equals to given mass value 784.0768482
,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
Pedunculagin
Castanin
Castanin is found in fruits. Castanin is isolated from Castanea mollissima (Chinese chestnut) and Rhodomyrtus tomentosa (hill gooseberry). Isolated from Castanea mollissima (Chinese chestnut) and Rhodomyrtus tomentosa (hill gooseberry). Castanin is found in nuts and fruits.
Granatin A
Granatin A is found in fruits. Granatin A is a major tannin constituent isolated from the leaves of Punica granatum (pomegranate). Major tannin constituent isolated from the leaves of Punica granatum (pomegranate). Granatin A is found in fruits and pomegranate.
Pedunculagin
Pedunculagin 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. Pedunculagin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Pedunculagin can be found in a number of food items such as cloves, rubus (blackberry, raspberry), red raspberry, and guava, which makes pedunculagin a potential biomarker for the consumption of these food products. Pedunculagin is an ellagitannin. It is formed from casuarictin via the loss of a gallate group .
castanin
D-glucose 2-[2-[(5,10-dihydro-3,7,8-trihydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-2-yl)oxy]-3,4,5-trihydroxy benzoate]-3-(3,4,5-trihydroxybenzoate)|oenothein C
2-O-galloyl-3-O-valoneoyl dolactone-(alpha/beta)-4C1-glucopyranose
alpha-D-Glucopyranose, cyclic 2,3:4,6-bis(4,4,5,5,6,6-hexahydroxy(1,1-biphenyl)-2,2-dicarboxylate)
granatin A
(N(7)-methyl 5-triphospho-guanosine)-adenosine
C21H27N10O17P3-2 (784.0768482)
2,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxy-2-({7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl}oxy)benzoate
(14r,15s,19s)-14-[(10r,11r)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl]-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaene-12,17-dione
(14r,15s,19r)-14-[(10r,11r)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl]-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaene-12,17-dione
(14s,15s,19s)-14-[(10r,11r)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0²,⁷]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl]-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6,8,10-hexaene-12,17-dione
(1r,2s,19r,20r,22r)-7,8,9,12,13,14,20,28,29,30,33,34,35-tridecahydroxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaene-4,17,25,38-tetrone
5-desgalloylstachyurin
{"Ingredient_id": "HBIN011516","Ingredient_name": "5-desgalloylstachyurin","Alias": "BDBM50269547; CHEMBL488110; D07HWB; 5-desgalloylstachyurin","Ingredient_formula": "C34H24O22","Ingredient_Smile": "C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)O","Ingredient_weight": "784.5 g/mol","OB_score": "12.64066727","CAS_id": "NA","SymMap_id": "SMIT00801","TCMID_id": "5248","TCMSP_id": "MOL010889","TCM_ID_id": "11728;11729;11730;17180;17181;17182","PubChem_id": "100927666","DrugBank_id": "NA"}