Exact Mass: 172.0688
Exact Mass Matches: 172.0688
Found 286 metabolites which its exact mass value is equals to given mass value 172.0688,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Diethyl fumarate
Diethyl fumarate is a fungal growth inhibitor for tomato juice. Flavouring compound [Superscent] Diethyl fumarate is a decomposition product of Malathion (an insecticide). Diethyl fumarate is a reputed skin irritant. Diethyl fumarate can causes non-immunologic contact urticaria on skin[1][2].
3-Acetyl-2,7-naphthyridine
3-Acetyl-2,7-naphthyridine is found in fats and oils. 3-Acetyl-2,7-naphthyridine is an alkaloid from valerian (Valeriana officinalis). Alkaloid from valerian (Valeriana officinalis). 3-Acetyl-2,7-naphthyridine is found in tea, fats and oils, and herbs and spices.
4-Hydroxy-1H-indole-3-acetonitrile
4-Hydroxy-1H-indole-3-acetonitrile is found in brassicas. 4-Hydroxy-1H-indole-3-acetonitrile is present in rapeseed and in cooked Brassica vegetables as a glucosinolate decomposition product. 4-Hydroxy-1H-indole-3-acetonitrile is formed from 4-Hydroxyindol-3-ylmethyl glucosinolate
2-Octenedioic acid
2-Octenedioic acid is an unsaturated dicarboxylic acid found in the urine of persons with abnormal fatty acid metabolism, such as patients with Dicarboxylic aciduria (PMID 2094705, 2614263). [HMDB] 2-Octenedioic acid is an unsaturated dicarboxylic acid found in the urine of persons with abnormal fatty acid metabolism, such as patients with Dicarboxylic aciduria (PMID 2094705, 2614263).
cis-4-Octenedioic acid
cis-4-Octenedioic acid, also known as (Z)-4-octene-1,8-dioate, belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. cis-4-Octenedioic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 4-Octenedioic acid have been found slightly elevated in the urine of persons with abnormal fatty acid metabolism (PMID 2094705) [HMDB]
trans-3-Octenedioic acid
trans-3-Octenedioic acid is a mono-unsaturated dicarboxylic acid and isomer of octenedioic acids. Octenedioic acids can be derived from the oxidation of oleic and linoleic acids and are a urinary metabolites occurring in patients with dicarboxylic aciduria.(PMID: 2271537) [HMDB] trans-3-Octenedioic acid is a mono-unsaturated dicarboxylic acid and isomer of octenedioic acids. Octenedioic acids can be derived from the oxidation of oleic and linoleic acids and are a urinary metabolites occurring in patients with dicarboxylic aciduria.(PMID: 2271537).
3-Isopropenylpentanedioic acid
3-Isopropenylpentanedioic acid is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Ethyl 2,4-dioxohexanoate
Ethyl 2,4-dioxohexanoate is a flavouring ingredien Flavouring ingredient
5-hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one
(1S,2R,5S,6R)-5,6-dihydroxy-2-methylcyclohex-3-enecarboxylic acid|massarigenin E
rel-(4R,5S)-4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-enone
2-{4-hydroxy-7-oxabicyclo[2.2.1]heptanyl}acetic acid
4,6-dihydroxy-6-(2-hydroxyethyl)cyclohex-2-en-1-one
(-)-Corey lactone diol
Ethyl maleate
Diethyl fumarate is a decomposition product of Malathion (an insecticide). Diethyl fumarate is a reputed skin irritant. Diethyl fumarate can causes non-immunologic contact urticaria on skin[1][2].
CIS-2-(METHOXYCARBONYL)CYCLOPENTANECARBOXYLIC ACID
(4Z)-4-(ETHOXYMETHYLENE)ISOQUINOLINE-1,3(2H,4H)-DIONE
(1R,3S)-3-(Methoxycarbonyl)cyclopentanecarboxylic acid
(R)-4-(3-ISOPROPOXYPHENYL)-1,3-DIMETHYL-1,2,3,6-TETRAHYDRO-PYRIDINE
5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
Ethyl 5-hydroxy-3,6-dihydro-2H-pyran-4-carboxylate
2-methyl-N-(1,3,4-thiadiazol-2-yl)propane-1,2-diamine
1-(4-pyridinyl)-1H-pyrrole-2-carbaldehyde(SALTDATA: FREE)
3S-(3a,3a,6a)]-Hexahydrofuro[2,3-b]furan-3-ol Acetate
5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
1H-Benzimidazole-5-carbonitrile,2-amino-1-methyl-(9CI)
cis-1,2-cyclobutanedicarboxylic acid dimethyl ester
5-BROMO-3-HYDROXY-3-(2-OXOPROPYL)-1,3-DIHYDRO-2H-INDOL-2-ONE
trans-cyclobutane-dicarboxylic acid-(1.3)-dimethyl ester
3-deoxy-1,2-O-isopropylidene-α-D-erythro-pentodialdo-1,4-furanose aldehyde
dimethyl 3-methyl-trans-1,2-cyclopropanedicarboxylate
5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-amine
Diethyl fumarate
A dieter obtained by the formal condensation of fumaric acid with ethanol. Diethyl fumarate is a decomposition product of Malathion (an insecticide). Diethyl fumarate is a reputed skin irritant. Diethyl fumarate can causes non-immunologic contact urticaria on skin[1][2].
4,7-Dioxooctanoic acid
A dioxo monocarboxylic acid that is caprylic acid with the two oxo groups at the 4- and 7-positions.
4,7-dihydroxyhexahydro-2-benzofuran-1(3H)-one
D009676 - Noxae > D000988 - Antispermatogenic Agents > D013089 - Spermatocidal Agents D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D020011 - Protective Agents > D016587 - Antimutagenic Agents D000970 - Antineoplastic Agents
5-Hydroxy-4-methoxy-5-(1-methylethyl)-2(5H)-furanone
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
2-Acetamido-5-oxopentanoate
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(5S)-5-(carboxymethyl)-L-proline(1-)
An alpha-amino-acid anion that is the conjugate base of (2S,5S)-5-carboxymethylproline, obtained by deprotonation of the two carboxy groups and protonation of the endocyclic amino group.
(5S)-5-amino-6-hydroxy-2,6-dioxohexane-1-diazonium
Metronidazole(1+)
An organic cation resulting from the addition of a proton to metronidazole.
Hexahydro[1,2,4]triazino[5,6-E][1,2,4]triazine-3,6(2H,4H)-dione
suberate(2-)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of suberic acid; major species at pH 7.3.
