Exact Mass: 314.1033
Exact Mass Matches: 314.1033
Found 165 metabolites which its exact mass value is equals to given mass value 314.1033,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Vanilloside
Glucovanillin is a glycoside. Glucovanillin is a natural product found in Dendrobium moniliforme, Stereospermum cylindricum, and other organisms with data available. See also: Elymus repens root (part of). Vanilloside is found in cereals and cereal products. Vanilloside is isolated from oat Isolated from oats. Vanilloside is found in oat and cereals and cereal products. Glucovanillin extracted from Vanilla planifolia Andrews and simultaneously transformed to vanillin by a combination of enzyme activities involving cell wall degradation and glucovanillin hydrolysis.
Pyraclonil
The sample was injected by direct infusion.; Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.
7,8-Dihydropteroic acid
In the mammalian host, dihydrofolate biosynthesis occurs via the reduction of folic acid, whereas in plasmodia (e.g. Plasmodium berghei, a malaria parasite) the biosynthesis of 7,8-dihydropteroate, an intermediate product in dihydrofolate synthesis, occurs via the enzymic catalysis of the reaction of 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine pyrophosphate with p-aminobenzoate. Malaria parasites synthesize their folate cofactors de novo and the antimalarial action of sulfonamides is due to their inhibiting the plasmodial dihydropteroate synthesis. The enzymes 6-hydroxymethylpterin pyrophosphokinase (EC 2.7.6.3, HPPK) and dihydropteroate synthase (EC 2.5.1.15, DHPS) catalyze sequential steps in folate biosynthesis. They are present in microorganisms but absent in mammals and therefore are especially suitable targets for antimicrobials. Sulfa drugs (sulfonamides and sulfones) currently are used as antimicrobials targeting DHPS, although resistance to these drugs is increasing. An NADPH-coupled microplate photometric assay could be used for rapid screening of chemical libraries for novel inhibitors of folate biosynthesis as the first step in developing new antimicrobial drugs targeting the folate biosynthetic pathway; in the microplate, the product of the DHPS reaction, 7,8-dihydropteroic acid, is reduced to tetrahydropteroate by excess dihydrofolate reductase (DHFR) using the cofactor NADPH (PMID: 17134675, 4354403, 3546688). 7,8-dihydropteroic acid, also known as dihydropteroinsaeure or h2pte, belongs to pterins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. 7,8-dihydropteroic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 7,8-dihydropteroic acid can be synthesized from pteroic acid. 7,8-dihydropteroic acid can also be synthesized into 2-hydroxy-7,8-dihydropteroic acid. 7,8-dihydropteroic acid can be found in a number of food items such as rice, towel gourd, cauliflower, and silver linden, which makes 7,8-dihydropteroic acid a potential biomarker for the consumption of these food products. 7,8-dihydropteroic acid exists in all living species, ranging from bacteria to humans. In humans, 7,8-dihydropteroic acid is involved in the pterine biosynthesis.
NS-398
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
6-O-Acetylarbutin
Constituent of the leaves of immature pear (Pyrus communis) and mountain cranberry (Vaccinium vitis-idaea). 6-O-Acetylarbutin is found in many foods, some of which are fruits, pear, pomes, and cereals and cereal products. 6-O-Acetylarbutin is found in cereals and cereal products. 6-O-Acetylarbutin is a constituent of the leaves of immature pear (Pyrus communis) and mountain cranberry (Vaccinium vitis-idaea).
2-Hydroxyphenylacetic acid O-b-D-glucoside
2-Hydroxyphenylacetic acid O-b-D-glucoside is found in fruits. 2-Hydroxyphenylacetic acid O-b-D-glucoside is a constituent of the roots of Phyllanthus emblica (emblic). Constituent of the roots of Phyllanthus emblica (emblic). 2-Hydroxyphenylacetic acid O-b-D-glucoside is found in fruits.
2-O-Acetylarbutin
2-O-Acetylarbutin is found in fruits. 2-O-Acetylarbutin is a constituent of Vaccinium vacillans (blueberry). Constituent of Vaccinium vacillans (blueberry). 2-O-Acetylarbutin is found in fruits.
2-Methoxycarbonylphenyl beta-D-glucopyranoside
2-Methoxycarbonylphenyl beta-D-glucopyranoside is found in fruits. 2-Methoxycarbonylphenyl beta-D-glucopyranoside is a constituent of purple passion fruit (Passiflora edulis) and other Passiflora species. Constituent of purple passion fruit (Passiflora edulis) and other Passiflora subspecies Methyl salicylate glucoside is found in fruits.
(S)-Mandelic acid O-beta-D-Glucopyranoside
(S)-Mandelic acid O-beta-D-Glucopyranoside is found in fruits. (S)-Mandelic acid O-beta-D-Glucopyranoside is a constituent of Sambucus nigra (elderberry). Constituent of Sambucus nigra (elderberry). (S)-Mandelic acid O-beta-D-Glucopyranoside is found in fruits.
Tyrosol glucuronide
Fenleuton
C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor
N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide
Butylcarbamoyl-(4-methylphenyl)sulfonylcarbamic acid
1-[3-Hydroxy-4-(3,4,5-trihydroxy-6-hydroxymethyltetrahydropyran-2-yloxy)phenyl]ethanone
N-(2-Cyanoethyl)-N-(4-fluorophenyl)-N-(4-pyridylmethyl)thiourea
2-(beta-D-glucopyranosyloxy)-1-(4-hydroxyphenyl)ethanone|4-hydroxyphenacyl beta-D-glucopyranoside|p-hydroxyphenacyl-beta-D-glucopyranoside
2-methoxy-5-formylphenyl beta-D-glucopyranoside|3-(beta-D-glucopyranosyloxy)-4-methoxybenzaldehyde|3-beta-D-Glucopyranosyloxy-4-methoxy-benzaldehyd|3-beta-D-glucopyranosyloxy-4-methoxy-benzaldehyde
2-hydroxy-5-methylbenzoyl-beta-L-glucopyranoside|p-cresotyl glucoside
5alpha,6beta,7alpha,10alpha,12alpha-hexahydroxycyclodeca-1,4-benzoquinone|alopecuquinone
Tribufos
D010575 - Pesticides > D010574 - Pesticide Synergists D010575 - Pesticides > D006540 - Herbicides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
Vanilloside
Origin: Plant, Glycosides, Benzaldehydes Glucovanillin extracted from Vanilla planifolia Andrews and simultaneously transformed to vanillin by a combination of enzyme activities involving cell wall degradation and glucovanillin hydrolysis.
2-Hydroxyphenylacetic acid O-b-D-glucoside
(S)-Mandelic acid O-beta-D-Glucopyranoside
2-(4-Isopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methylchinolin-4-ol
(2S,4S)-1-CBZ-4-amino Pyrrolidine-2-carboxylic acid Methylester-HCl
2-PHENYLTHIO-5-PROPIONYLPHENYLACETICACIDMETHYLESTER
Amprolium
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
3-(Boc-amino)-3-(4-chlorophenyl)-N-hydroxypropanamide
3-(2-NAPHTHALEN-2-YL-2-OXO-ETHYLIDENE)-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE
5-naphthalen-2-yl-1-phenylpyrazole-3-carboxylic acid
1-N-CBZ-piperazine-2-carboxylic acid Methyl ester-HCl
(1S,2S,3R,5S)-(+)-2,3-pinanediol 4-bromobutylboronate ester
ethyl 3-(2-ethoxy-1-(4-fluorophenyl)-2-oxoethylthio)propanoate
N-(4-Fluorophenyl)-N-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
1-(4-nitro-benzylamino)-cyclohexanecarboxylic acid hydrochloride
(2S,4R)-Methyl 4-(((benzyloxy)carbonyl)amino)pyrrolidine-2-carboxylate hydrochloride
acetic acid,(6E)-4-fluoro-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
3-[3-[2-(2-Tetrahydropyranyloxy)ethyl]ureido]thiophene-2-carboxy
4-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-HCl
(S)-4-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-HCl
(R)-PIPERAZINE-1,2-DICARBOXYLIC ACID 1-BENZYL ESTER 2-METHYL ESTER
(R)-4-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-HCl
(S)-1-Benzyl 2-methyl piperazine-1,2-dicarboxylate hydrochloride
3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
2-[(3-Chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile
N-[4-[oxo(1-piperidinyl)methyl]phenyl]-2-thiophenecarboxamide
5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
Fenleuton
C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor
3-Methoxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-YL]oxy}benzaldehyde
(2S)-2-[[(5R)-3-(carboxylatomethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]propanoate
4-[[(2-Amino-4-oxo-3,5,7,8-tetrahydropteridin-6-ylidene)amino]methyl]benzoic acid
(E)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
3-{5-[3-(3-fluorophenyl)-3-oxoprop-1-en-1-yl]-1-methyl-1H-pyrrol-2-yl}-N-hydroxyacrylamide
1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea
9-Oxo-3-fluorenecarboxylic acid (phenylmethyl) ester
1-[1-(2,3-Dihydro-1,4-benzodioxin-3-yl)ethyl]-3-phenylthiourea
[(2S)-1,3-dimethyl-3-nitro-1-spiro[cyclohepta[d]imidazol-3-ium-2,4-cyclohexa-2,5-diene]ylidene]-dioxidoammonium
N-(sec-butyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxymethyl]-1H-benzimidazole
sodium (allyl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosid)onate
6-(4-Ethyl-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
N-(2,6-dimethylphenyl)-2-(7H-purin-1-ium-6-ylsulfanyl)acetamide
6-(4-Ethyl-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Avenein
Glucovanillin is a glycoside. Glucovanillin is a natural product found in Dendrobium moniliforme, Stereospermum cylindricum, and other organisms with data available. See also: Elymus repens root (part of). Glucovanillin extracted from Vanilla planifolia Andrews and simultaneously transformed to vanillin by a combination of enzyme activities involving cell wall degradation and glucovanillin hydrolysis.
dihydropteroate
A pteroic acid derivative arising from formal hydrogenation of the 7,8-double bond of pteroic acid.
methyl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
1-(4-hydroxy-2-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
(2r,3r)-2,3,4-trihydroxybutyl (2e)-3-(4-methoxy-6-oxopyran-2-yl)but-2-enoate
1-(5-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
2-(beta-D-Glucopyranosyloxy)benzeneacetic acid
{"Ingredient_id": "HBIN005389","Ingredient_name": "2-(beta-D-Glucopyranosyloxy)benzeneacetic acid","Alias": "NA","Ingredient_formula": "C14H18O8","Ingredient_Smile": "C1=CC=C(C(=C1)CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "314.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8558","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10979933","DrugBank_id": "NA"}
2-carboxylmethylphenol1-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN005446","Ingredient_name": "2-carboxylmethylphenol1-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C14H18O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3176","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-2-o-β-d-glucopyranosyl-2-hydroxyphenyl-aceticacid
{"Ingredient_id": "HBIN006605","Ingredient_name": "(2s)-2-o-\u03b2-d-glucopyranosyl-2-hydroxyphenyl-aceticacid","Alias": "NA","Ingredient_formula": "C14H18O8","Ingredient_Smile": "C1=CC=C(C=C1)C(C(=O)O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8674","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-5,7,2',5'-tetrahydroxy-flavanone7-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN006758","Ingredient_name": "(2s)-5,7,2',5'-tetrahydroxy-flavanone7-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C14H18O8","Ingredient_Smile": "C1=CC=C(C=C1)C(C(=O)O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21094","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alopecuquinone
{"Ingredient_id": "HBIN015318","Ingredient_name": "alopecuquinone","Alias": "NA","Ingredient_formula": "C14H18O8","Ingredient_Smile": "C1CC(C(C(C2=C(C(C(C1O)O)O)C(=O)C=CC2=O)O)O)O","Ingredient_weight": "314.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "982","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "636698","DrugBank_id": "NA"}
