Exact Mass: 316.0704
Exact Mass Matches: 316.0704
Found 143 metabolites which its exact mass value is equals to given mass value 316.0704,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile
2-S-cysteinyl-DOPA
2-S-cysteinyl-DOPA, also known as 2-S-Cysteinyl-3,4-dihydroxyphenylalanine or 2-S-Cysteinyldopa, is classified as a tyrosine or a Tyrosine derivative. Tyrosines are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 2-S-cysteinyl-DOPA is considered to be slightly soluble (in water) and acidic
4'-Hydroxyclobazam
4-Hydroxyclobazam is a metabolite of clobazam. Clobazam (marketed under the brand names Frisium, Urbanol and Onfi), is a drug which is a benzodiazepine derivative. It has been marketed as an anxiolytic since 1975 and an anticonvulsant since 1984. (Wikipedia)
5-S-Cysteinyl-D-dopa
2,7-Difluoro-4-methoxyspiro[fluorene-9,5'-imidazolidine]-2',4'-dione
4-(4-Fluorobenzyl)-2-p-tolyl-1,2,4-thiadiazolidine-3,5-dione
Protocatechuic acid 4-glucoside
Protocatechuic acid 4-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Protocatechuic acid 4-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Protocatechuic acid 4-glucoside can be found in a number of food items such as rosemary, jostaberry, rubus (blackberry, raspberry), and highbush blueberry, which makes protocatechuic acid 4-glucoside a potential biomarker for the consumption of these food products.
5-(1,2-Diacetoxyethyl)-2-(E)-hept-5-ene-1,3-diynylthiophene
1-O-(2,5-Dihydroxy-benzoyl)-beta-D-glucopyranose|O1-Gentisoyl-beta-D-glucopyranose
2-O-(3,4,5-Trihydroxybenzoyl)-scyllo-Quercitol|2-O-galloyl-scyllo-quercitol
protocatechuic acid 3-O-beta-D-glucopyranoside|protocatechuic acid 3-O-beta-D-glucopyranoside|protocatechuic acid-3-glucoside
2-(beta-D-glucopyranosyloxy)-3-hydroxybenzoic acid|2-(beta-D-glucopyranosyloxy)-6-hydroxy benzoic acid
4-O-beta-D-Glucopyranoside-3,4,5-Trihydroxybenzaldehyde
SPA-5DC (TENTATIVE)
TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from HAL_N: mz315_05_rt4_87_HCD60_SPA-5DC; CONFIDENCE Tentative identification: isomers possible (Level 3)
4-AMINO-1-N-BOC-5,7-DICHLORO-1,2,3,4-TETRAHYDROQUINOLINE
1,6-Anhydro-4-O-p-toluenesulfonyl-β-D-glucopyranose
Ethyl 2-(1,3-benzothiazol-2-ylamino)-6-oxo-1,6-dihydro-5-pyrimidi necarboxylate
2-Chloro-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide
5-(1-Carboxyethyl)-2-(phenylthio)phenylacetic acid
(1-Tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid
Methyl-2-C-(trifluoromethyl)-alpha-D-ribofuranoside-3,5-diacetate
2-(1-benzofuran-3-yl)ethyl 4-methylbenzenesulfonate
5-(beta-D-glucopyranosyloxy)-2-hydroxybenzoic acid
2-(beta-D-glucopyranosyloxy)-5-hydroxybenzoic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Spiro(9H-fluorene-9,4-imidazolidine)-2,5-dione, 2,7-difluoro-4-methoxy-
(4aR,5S,8R)-9-(pyridin-3-yl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one
2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide
2-Chloro-3-pyridinecarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
(2R,3R,4R)-1-[(2R)-2,4-dihydroxy-3-(trioxido-lambda4-sulfanyl)oxybutyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
(2S)-2-azaniumyl-3-[2-[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl-3,4-dihydroxyphenyl]propanoate
N-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide
2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoic acid
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-isoxazolecarboxamide
(4-Methyl-1-piperazinyl)-(2-thieno[3,2-b][1]benzothiolyl)methanone
N-[(5-fluoro-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]acetamide
2-Amino-7-methyl-4-phenyl-thieno[2,3-b;4,5-b]dipyridine-3-carbonitrile
3-Ethyl-5-(1-ethyl-1H-quinolin-2-ylidene)-2-thioxo-thiazolidin-4-one
4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one
4-[1-[(3-Chlorophenyl)methylamino]ethylidene]-2-(2-furanyl)-5-oxazolone
N-(6-butyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
3,4,5-Trihydroxy-6-(2-hydroxy-6-methoxyphenoxy)oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-(2-hydroxy-3-methoxyphenoxy)oxane-2-carboxylic acid
2,5-dihydroxybenzoic acid 5-O-beta-D-glucoside
A monohydroxybenzoic acid that is 2,5-dihydroxybenzoic acid in which the phenolic hydrogen at position 5 has been replaced by a beta-D-glucosyl residue.
2-S-cysteinyl-DOPA
An L-tyrosine derivative that is L-DOPA in which the hydrogen at position 2 on the phenyl ring is replaced by a cysteinyl group. Found in the urine of patients with melanoma.
2,5-dihydroxybenzoic acid 2-O-beta-D-glucoside
A monohydroxybenzoic acid that is 2,5-dihydroxybenzoic acid in which the phenolic hydrogen at position 2 has been replaced by a beta-D-glucosyl residue.
2-Amino-3-[[5-(2-amino-2-carboxyethyl)-2,3-dihydroxyphenyl]thio]propionic acid
McN-A-343
McN-A-343 is a selective M1 muscarinic agonist that stimulates muscarinic transmission in sympathetic ganglia. McN-A-343 reduces inflammation and oxidative stress in an experimental model of ulcerative colitis[1][2]. McN-A-343 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
NSC 146109 (hydrochloride)
NSC 146109 hydrochloride is a small-molecule p53 activator that target MDMX and can be used for breast cancer research. NSC 146109 hydrochloride is a pseudourea derivative, promotes breast cancer cells to undergo apoptosis through activating p53 and inducing expression of proapoptotic genes[1].
5-hydroxy-2-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
(2s,3r,5r,6s)-2,3,5,6-tetrahydroxycyclohexyl 3,4,5-trihydroxybenzoate
[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
(1r)-2-(acetyloxy)-1-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethyl acetate
2-hydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
1-o-galloyl-α-l-rhamnose
{"Ingredient_id": "HBIN002908","Ingredient_name": "1-o-galloyl-\u03b1-l-rhamnose","Alias": "NA","Ingredient_formula": "C13H16O9","Ingredient_Smile": "CC1C(C(C(C(O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8117","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
