Exact Mass: 170.0691
Exact Mass Matches: 170.0691
Found 500 metabolites which its exact mass value is equals to given mass value 170.0691,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3,4-Dihydroxyphenylglycol
3,4-Dihydroxyphenylglycol, also known as DHPG or DOPEG, belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. 3,4-Dihydroxyphenylglycol is an extremely weak basic (essentially neutral) compound. 3,4-Dihydroxyphenylglycol exists in all living organisms, ranging from bacteria to plants to humans. It is a potent antioxidant (PMID: 30007612). In mammals, 3,4-Dihydroxyphenylglycol is the primary metabolite of norepinephrine and is generated through the action of the enzyme monoamine oxidase (MAO). DHPG is then further metabolized by the enzyme Catechol-O-methyltransferase (COMT) to 3-methoxy-4-hydroxyphenylglycol (MHPG). Within humans, 3,4-dihydroxyphenylglycol participates in a number of enzymatic reactions. In particular, 3,4-dihydroxyphenylglycol can be biosynthesized from 3,4-dihydroxymandelaldehyde; which is mediated by the enzyme alcohol dehydrogenase 1A. In addition, 3,4-dihydroxyphenylglycol and guaiacol can be converted into vanylglycol and pyrocatechol through its interaction with the enzyme catechol O-methyltransferase. Outside of the human body, 3,4-dihydroxyphenylglycol is found, on average, in the highest concentration in olives. High levels of DHPG (up to 368 mg/kg of dry weight) have been found in the pulp of natural black olives. This could make 3,4-dihydroxyphenylglycol a potential biomarker for the consumption of olives and olive oil. 3,4-Dihydroxyphenylglycol has been linked to Menkes disease (PMID: 19234788). DHPG level are lower in Menkes patients (3.57 ± 0.40 nM) than healthy infants 8.91 ± 0.77 nM). Menkes disease (also called “kinky hair disease”) is an X-linked recessive neurodevelopmental disorder caused by defects in a gene that encodes a copper-transporting ATPase (ATP7A). Affected infants typically appear healthy at birth and show normal neurodevelopment for 2-3 months. Subsequently there is loss of milestones (e.g., smiling, visual tracking, head control) and death in late infancy or childhood (PMID: 19234788). 3,4-Dihydroxyphenylglycol (DOPEG) is a normal norepinephrine metabolite present in CSF, plasma and urine in humans (PMID 6875564). In healthy individuals there is a tendency for free DOPEG to increase and for conjugated DOPEG to decrease with age; plasmatic DOPEG levels are significantly lower in depressed patients as compared to healthy controls (PMID 6671452). DL-1-(3,4-Dihydroxyphenyl)-1,2-ethanediol is found in olive. 4-(1,2-Dihydroxyethyl)benzene-1,2-diol, a normal norepinephrine metabolite, is found to be associated with Menkes syndrome.
2-Biphenylol
2-Biphenylol is found in lemon. It is an antifungal agent and preservative. 2-Biphenylol is used for post-harvest control of storage disease in apples, citrus fruit, stone fruit, tomatoes, cucumber and peppers through the use of impregnated wrapping materials or by direct application in a wax. 2-Biphenylol is used in food seasonings. Inhibitory to a wider range of moulds than Biphenyl
Propylthiouracil
Propylthiouracil is only found in individuals that have used or taken this drug. It is a thiourea antithyroid agent. Propythiouracil inhibits the synthesis of thyroxine and inhibits the peripheral conversion of throxine to tri-iodothyronine. It is used in the treatment of hyperthyroidism. (From Martindale, The Extra Pharmacopeoia, 30th ed, p534)Propylthiouracil binds to thyroid peroxidase and thereby inhibits the conversion of iodide to iodine. Thyroid peroxidase normally converts iodide to iodine (via hydrogen peroxide as a cofactor) and also catalyzes the incorporation of the resulting iodide molecule onto both the 3 and/or 5 positions of the phenol rings of tyrosines found in thyroglobulin. Thyroglobulin is degraded to produce thyroxine (T4) and tri-iodothyronine (T3), which are the main hormones produced by the thyroid gland. Therefore propylthiouracil effectively inhibits the production of new thyroid hormones. H - Systemic hormonal preparations, excl. sex hormones and insulins > H03 - Thyroid therapy > H03B - Antithyroid preparations > H03BA - Thiouracils D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D013956 - Antithyroid Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C885 - Antithyroid Agent D009676 - Noxae > D000963 - Antimetabolites KEIO_ID P055 Propylthiouracil (6-n-Propylthiouracil), a thioamide antithyroid agent, is an orally active thyroperoxidase and type-1 deiodinase (DIO1) inhibitor. Propylthiouracil can be used for the Graves disease and hyperthyroidism research[1].
penicillic acid
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE isolated standard
1,2-Dihydroxy-3-methylcyclohexa-3,5-dienecarboxylate
1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate
4-Biphenylol
CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4839; ORIGINAL_PRECURSOR_SCAN_NO 4835 CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4862; ORIGINAL_PRECURSOR_SCAN_NO 4859 CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4882; ORIGINAL_PRECURSOR_SCAN_NO 4877 CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4893; ORIGINAL_PRECURSOR_SCAN_NO 4890 CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4872; ORIGINAL_PRECURSOR_SCAN_NO 4871 CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4890; ORIGINAL_PRECURSOR_SCAN_NO 4887
Methyl beta-naphthyl ketone
Methyl beta-naphthyl ketone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") 2-Acetonaphthone is an endogenous metabolite.
Herierin III
Herierin III is found in mushrooms. Herierin III is a constituent of Hericium erinaceum (lions mane). Constituent of Hericium erinaceum (lions mane). Herierin III is found in mushrooms.
Herierin IV
Herierin IV is found in mushrooms. Herierin IV is a constituent of Hericium erinaceum (lions mane). Constituent of Hericium erinaceum (lions mane). Herierin IV is found in mushrooms.
Diphenyl ether
Diphenyl ether is found in alcoholic beverages. Diphenyl ether is present in muscat grapes, green tea, vanilla, lemon balm, buckwheat, potato chips and grilled beef. Diphenyl ether is a flavouring ingredient Diphenyl ether is a starting material in the production of phenoxathiin via the Ferrario reaction. Phenoxathiin is used in polyamide and polyimide production. Involving similar reactions, diphenyl ether is a significant side product in the high-pressure hydrolysis of chlorobenzene in the production of phenol. Several polybrominated diphenyl ethers (PBDEs) are useful flame retardants. Of penta-, octa-, and decaBDE, the three most common PBDEs, only deca-BDE is still in widespread use since its ban in the European Union in 2003. Deca-BDE, also known as decabromodiphenyl oxide, is a high-volume industrial chemical with over 450,000 kilograms produced annually in the United States. Decabromodiphenyl oxide is sold under the trade name Saytex 102 as a flame retardant in the manufacture of paints and reinforced plastics Present in muscat grapes, green tea, vanilla, lemon balm, buckwheat, potato chips and grilled beef. Flavouring ingredient
2-Amino-5-phenylpyridine
2-Amino-5-phenylpyridine is a mutagen found in cooked foo 2-Amino-5-phenylpyridine is a mutagenic heterocyclic aromatic amine that is formed by pyrolysis of phenylalanine in proteins. 2-Amino-5-phenylpyridine is in broiled sardines and is considered as potentially carcinogenic[1][2].
Furaneol acetate
Furaneol acetate is used in meaty and caramel-type flavours. It is used in meaty and caramel-type flavours.
3,4-Methyleneadipic acid
3,4-Methyleneadipic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
Ethylene glycol diacrylate
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
Linsidomine
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors
Dihydrofumigatin
Dihydrofumigatin is a member of the class of compounds known as ubiquinols. Ubiquinols are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methylbenzene-1,4-diol moiety to which an isoprenyl group is attached at ring position 2(or 6). Dihydrofumigatin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Dihydrofumigatin can be found in ceylon cinnamon, which makes dihydrofumigatin a potential biomarker for the consumption of this food product.
1-(4-methoxyphenyl)-2,4-pentadiyne|1-(p-Methoxyphenyl)-pentadiin-(2,4)|1-<4-Methoxy-phenyl>-pentadiin-(2,4)
3,3a,7,7a-tetrahydro-6,7-dihydroxy-2(6H)-1-benzofuran-2-one
(4Z,6R,7R)-5-(2,3-dihydroxybutylidene)furan-2(5H)-one|(4Z,6R,7R)-6,7-dihydroxyocta-2,4-dien-4-lactone|versicolactone A
3,4-Epoxy-5-hydroxycyclohexene-1-carboxylic acid methyl ester
(1S,5R,6S)-5-hydroxy-3-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one|cyclobotryoxide
1-(2-Hydroxyphenyl)-2,4-hexadiyne|2-(Hexadiin-(2,4)-yl)-phenol|2--phenol
2,4,6-Triazabicyclo[3.2.1]oct-2-ene-7-carboxylicacid,3-amino-,(1R,5S,7S)-(9CI)
(Z)-2-(3-Indolyl)vinyl Isocyanide|Indolacrylisonitril
propylthiouracil
H - Systemic hormonal preparations, excl. sex hormones and insulins > H03 - Thyroid therapy > H03B - Antithyroid preparations > H03BA - Thiouracils D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D013956 - Antithyroid Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C885 - Antithyroid Agent D009676 - Noxae > D000963 - Antimetabolites CONFIDENCE standard compound; INTERNAL_ID 324; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2811; ORIGINAL_PRECURSOR_SCAN_NO 2809 CONFIDENCE standard compound; INTERNAL_ID 324; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2808; ORIGINAL_PRECURSOR_SCAN_NO 2807 CONFIDENCE standard compound; INTERNAL_ID 324; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2807; ORIGINAL_PRECURSOR_SCAN_NO 2805 CONFIDENCE standard compound; INTERNAL_ID 324; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2876; ORIGINAL_PRECURSOR_SCAN_NO 2874 INTERNAL_ID 324; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2811; ORIGINAL_PRECURSOR_SCAN_NO 2808 CONFIDENCE standard compound; INTERNAL_ID 324; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2811; ORIGINAL_PRECURSOR_SCAN_NO 2808 CONFIDENCE standard compound; INTERNAL_ID 2385 CONFIDENCE standard compound; INTERNAL_ID 1224 CONFIDENCE standard compound; INTERNAL_ID 1166 Propylthiouracil (6-n-Propylthiouracil), a thioamide antithyroid agent, is an orally active thyroperoxidase and type-1 deiodinase (DIO1) inhibitor. Propylthiouracil can be used for the Graves disease and hyperthyroidism research[1].
3,4-Dihydroxyphenylglycol
A tetrol composed of ethyleneglycol having a 3,4-dihydroxyphenyl group at the 1-position. 4-(1,2-Dihydroxyethyl)benzene-1,2-diol, a normal norepinephrine metabolite, is found to be associated with Menkes syndrome.
2-Acetonaphthone
CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4862; ORIGINAL_PRECURSOR_SCAN_NO 4859 CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4890; ORIGINAL_PRECURSOR_SCAN_NO 4887 CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4839; ORIGINAL_PRECURSOR_SCAN_NO 4835 CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4872; ORIGINAL_PRECURSOR_SCAN_NO 4871 CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4893; ORIGINAL_PRECURSOR_SCAN_NO 4890 CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4882; ORIGINAL_PRECURSOR_SCAN_NO 4877 CONFIDENCE standard compound; INTERNAL_ID 2446 2-Acetonaphthone is an endogenous metabolite.
5-hydroxy-4-methoxy-5-prop-1-en-2-ylfuran-2-one_major
2-Amino-5-fluoro-3-pyridinecarboxylic acid methyl ester
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid monomethyl ester
Carbamic acid, (5-methyl-3-isoxazolyl)-, ethyl ester
3,3,3-Trifluoro-2,2-dimethylpropionic acid methyl ester
2-Thiazolemethanamine,N-methyl-4-(1-methylethyl)-(9CI)
1H-1,2,4-Triazole-3-carboxylicacid,5-amino-,propylester(9CI)
3-(2-HYDROXY-ETHYL)-6-METHYL-1H-PYRIMIDINE-2,4-DIONE
ETHYL 2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDIN-6-YLMETHANOL
1H-Imidazole-4-carboxylicacid,2-methoxy-5-methyl-,methylester(9CI)
(2R,3S)-1-CARBOXY-2,3-DIHYDROXY-4-METHYLCYCLOHEXA-4,6-DIENE
1H-Pyrazole-3-acetic acid, 4,5-dihydro-5-oxo-, ethyl ester
ethyl 5-methyl-2-oxo-1,3-dihydroimidazole-4-carboxylate
Urea,N-hydroxy-N-[2-(1H-imidazol-4-yl)ethyl]- (9CI)
5-[ethoxy(hydroxy)methylidene]-2-methyl-1H-imidazol-4-one
Ethyl 5-hydroxy-1-methyl-1H-pyrazole-4-carboxylate
6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
N-(6-METHYL-3-OXO-2,3-DIHYDRO-1,2,4-TRIAZIN-4(5H)-YL)ACETAMIDE
ETHYL 2-METHYL-5-OXO-2,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLATE
5-HYDROXYMETHYL-FURAN-2-CARBOXYLIC ACID ETHYL ESTER
1-ethyl-5-methyl-4-nitro-1H-pyrazol-3-amine(SALTDATA: FREE)
5-HYDROXYMETHYL-2-METHYL-FURAN-3-CARBOXYLIC ACID METHYL ESTER
5-Amino-3-methyl-isoxazole-4-carboxylic acid ethyl ester
3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-2H-PYRAN-6-CARBOXYLIC ACID
2-(4-ETHOXY-PHENYL)-1-METHYL-ETHYLAMINE HYDROCHLORIDE
1H-Imidazole-4-carboxylicacid,2-(methoxymethyl)-,methylester(9CI)
3,4-BIS(1-METHYLHYDRAZINO)CYCLOBUT-3-ENE-1,2-DIONE
5,6,7,8-Tetrahydro-1,6-naphthyridine hydrochloride
1,2,3,4-Tetrahydro-2,7-naphthyridine hydrochloride
methyl 2,2-dimethyl-1-oxidoimidazol-1-ium-4-carboxylate
3-Thiophenecarboxylicacid,4,5-dimethyl-,hydrazide(9CI)
4-Oxazolecarboxylicacid,2-(aminomethyl)-5-methyl-,methylester(9CI)
methyl 4-methoxy-2-oxocyclopent-3-ene-1-carboxylate
Ethyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate
3-ETHOXY-4-(1-METHYLHYDRAZINO)CYCLOBUT-3-ENE-1,2-DIONE
1H-Imidazole-4-carboxylicacid,1-(2-hydroxyethyl)-,methylester(9CI)
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-2-hydroxy-, (S)-(9CI)
1H-Imidazole-4-carboxylicacid,5-hydrazino-,ethylester(9CI)
6,7-Dihydro-5H-cyclopenta[b]pyridin-7-aMine hydrochloride
4-(2H-tetrazol-5-yl)tetraaz-3-ene-2-carboximidamide
4-METHYL-2-OXOPENTANOIC ACID, SODIUM SALT, HYDRATE
[5-(1-Aminoethyl)-4H-[1,2,4]triazol-3-yl]acetic acid hydrochloride
(4-ETHYL-5-OXO-TETRAHYDRO-FURAN-3-YL)-ACETALDEHYDE
Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
5,6,7,8-Tetrahydro-imidazo[1,2-A]pyridine-6,7,8-triol
Linsidomine
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors
5-Hydroxy-4-methoxy-5-(1-methylethenyl)-2-furanone
(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethanaminium
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S)-2-amino-N-hydroxy-3-(2H-imidazol-4-yl)propanamide
(1S,6R)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
(1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
2-Phenylphenol
D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AE - Phenol and derivatives D009676 - Noxae > D002273 - Carcinogens D000890 - Anti-Infective Agents D016573 - Agrochemicals D004202 - Disinfectants D010575 - Pesticides
1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid
Diphenyl oxide
An aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla.
(R)-noradrenaline(1+)
An organic cation that is the conjugate acid of (R)-noradrenaline, obtained by protonation of the priamry amino group; major species at pH 7.3.
Ethylene diacrylate
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
2-Amino-5-phenylpyridine
2-Amino-5-phenylpyridine is a mutagenic heterocyclic aromatic amine that is formed by pyrolysis of phenylalanine in proteins. 2-Amino-5-phenylpyridine is in broiled sardines and is considered as potentially carcinogenic[1][2].
1,6-dihydroxy-5-methylcyclohexa-2,4-dienecarboxylic acid
2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]propan-1-one
1-(3-hydroxyphenyl)-2,4-hexadiyne
{"Ingredient_id": "HBIN001251","Ingredient_name": "1-(3-hydroxyphenyl)-2,4-hexadiyne","Alias": "NA","Ingredient_formula": "C12H10O","Ingredient_Smile": "CC#CC#CCC1=CC(=CC=C1)O","Ingredient_weight": "170.21","OB_score": "NA","CAS_id": "75911-07-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9684","PubChem_id": "101410744","DrugBank_id": "NA"}
1-phenyl-2,4-hexadiyne-1-ol
{"Ingredient_id": "HBIN002978","Ingredient_name": "1-phenyl-2,4-hexadiyne-1-ol","Alias": "NA","Ingredient_formula": "C12H10O","Ingredient_Smile": "CC#CC#CC(C1=CC=CC=C1)O","Ingredient_weight": "170.21 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT17184","TCMID_id": "17109","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5320528","DrugBank_id": "NA"}
4-ethoxy-6-hydroxymethyl-α-pyrone
{"Ingredient_id": "HBIN010376","Ingredient_name": "4-ethoxy-6-hydroxymethyl-\u03b1-pyrone","Alias": "NA","Ingredient_formula": "C8H10O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7404","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-methyl-2,5-dihydroxymethyl-gamma-pyranone(iii)
{"Ingredient_id": "HBIN012543","Ingredient_name": "6-methyl-2,5-dihydroxymethyl-gamma-pyranone(iii)","Alias": "NA","Ingredient_formula": "C8H10O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31594","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
