Exact Mass: 468.0957
Exact Mass Matches: 468.0957
Found 99 metabolites which its exact mass value is equals to given mass value 468.0957
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within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Neocretanin
Neocretanin is found in nuts. Neocretanin is isolated from Japanese chestnut galls (Castanea crenata). Isolated from Japanese chestnut galls (Castanea crenata). Neocretanin is found in nuts.
Castamollissin
Castamollissin is found in nuts. Castamollissin is isolated from the leaves of Castanea mollissima (Chinese chestnut). Isolated from the leaves of Castanea mollissima (Chinese chestnut). Castamollissin is found in nuts.
Apocynin A
Epigallocatechin 3-caffeate
Epigallocatechin 3-caffeate is a member of the class of compounds known as epigallocatechins. Epigallocatechins are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety. Thus, epigallocatechin 3-caffeate is considered to be a flavonoid lipid molecule. Epigallocatechin 3-caffeate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Epigallocatechin 3-caffeate can be found in tea, which makes epigallocatechin 3-caffeate a potential biomarker for the consumption of this food product.
Apocynin A
Apocynin C
Gyrophoric acid
Origin: Microbe, Carboxylic acids
3-carboxy-6,7-dihydroxy-1-(3,4-dihydroxyphenyl)-naphthalene-9,5-O-shikimic acid ester
5-O-(6-O-galloyl)-beta-D-glucopyranosylgentisic acid|Gentisic acid 5-O-beta-D-(6-O-galloyl)glucopyranoside
7-O-alpha-L-rhamnosyl-8-[2-oxo-2H-1-benzopyran-7-(hydroxy)-6-yl]-2H-1-benzopyran-2-one|7-O-alpha-L-rhamnosyl-8-[2-oxo-2H-1-benzopyran-7-(hydroxy)-6-yl]-2H-1-benzopyran-2-one|daphjamilin
4,5-Di-O-galloyl (+)-protoquercitol|4,5-di-O-galloyl proto-quercitol|4,5-di-O-galloyl-proto-quercitol|4,5-di-O-galloylprotoquercitol
(4S,8R,9S)-4-(3,4-dihydroxyphenyl)-8-(3,4,5-trihydroxyphenyl)-3,4,9,10-tetrahydro-5,9-dihydroxy-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one|sclerophynin A
[(2R,3S,4S,5S)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
ginnalin A
D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
Cys Cys Asp Glu
Cys Cys Glu Asp
Cys Asp Cys Glu
Cys Asp Glu Cys
Cys Glu Cys Asp
Cys Glu Asp Cys
Asp Cys Cys Glu
Asp Cys Glu Cys
Asp Glu Cys Cys
Glu Cys Cys Asp
Glu Cys Asp Cys
Glu Asp Cys Cys
Castamollissin
Neocretanin
N-({6-[(4-Cyanobenzyl)oxy]naphthalen-2-YL}sulfonyl)-D-glutamic acid
(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
(2Z)-2-[3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile
2-[[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester
2-[3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile
Ulixertinib (hydrochloride)
Ulixertinib hydrochloride (BVD-523 hydrochloride) is a potent, orally active, highly selective, ATP-competitive and reversible covalent inhibitor of ERK1/2 kinases, with an IC50 of <0.3 nM against ERK2. Ulixertinib hydrochloride inhibits the phosphorylated ERK2 (pERK) and downstream kinase RSK (pRSK) in an A375 melanoma cell line[1][2].
2-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl]oxy}benzoic acid
(4r,5r,14r)-14-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4-(3,4,5-trihydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one
(1's,2r,5's,6'r,12's)-7,12',14-trihydroxy-5'-methoxy-3,4',8',10-tetraoxaspiro[tetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-2,3'-tricyclo[4.3.3.0¹,⁶]dodecane]-1(14),4,6,8(16),11(15),12-hexaene-9,9'-dione
2,3,6-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate
(2r,3r,4s,5s)-3-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-4-yl 3,4,5-trihydroxybenzoate
7-hydroxy-7'-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-[6,8'-bichromene]-2,2'-dione
(2r,3r)-7,9-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one
3-carboxy-6,7-dihydroxy-1-(3',4'-dihydroxy-phenyl)-naphthalene-9,5''-o-shikimicacidester
{"Ingredient_id": "HBIN008378","Ingredient_name": "3-carboxy-6,7-dihydroxy-1-(3',4'-dihydroxy-phenyl)-naphthalene-9,5''-o-shikimicacidester","Alias": "NA","Ingredient_formula": "C24H20O10","Ingredient_Smile": "C1C(C(C(C=C1C(=O)O)O)O)OC(=O)C2=CC(=C3C=C(C(=CC3=C2)O)O)C4=CC(=C(C=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3168","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aceritannin
{"Ingredient_id": "HBIN014374","Ingredient_name": "aceritannin","Alias": "NA","Ingredient_formula": "C20H20O13","Ingredient_Smile": "C1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "95","TCMSP_id": "NA","TCM_ID_id": "7238;24378","PubChem_id": "NA","DrugBank_id": "NA"}