Exact Mass: 167.046
Exact Mass Matches: 167.046
Found 500 metabolites which its exact mass value is equals to given mass value 167.046,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pyridoxal
Pyridoxal is a pyridinecarbaldehyde that is pyridine-4-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 5 respectively. Pyridoxal, also known as pyridoxaldehyde, belongs to the class of organic compounds known as pyridoxals and derivatives. Pyridoxals and derivatives are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2, 3, 4, and 5 by a methyl group, a hydroxyl group, a carbaldehyde group, and a hydroxymethyl group, respectively. Pyridoxal is one form of vitamin B6. Pyridoxal exists in all living species, ranging from bacteria to humans. In humans, pyridoxal is involved in glycine and serine metabolism. Pyridoxal has been detected, but not quantified in several different foods, such as sourdoughs, lichee, arctic blackberries, watercress, and cottonseeds. Some medically relevant bacteria, such as those in the genera Granulicatella and Abiotrophia, require pyridoxal for growth. This nutritional requirement can lead to the culture phenomenon of satellite growth. In in vitro culture, these pyridoxal-dependent bacteria may only grow in areas surrounding colonies of bacteria from other genera ("satellitism") that are capable of producing pyridoxal. Pridoxal has a role as a cofactor, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite.
3-Methoxyanthranilate
This compound belongs to the family of M-methoxybenzoic Acids and Derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group
Thioguanine
Thioguanine is only found in individuals that have used or taken this drug. It is an antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia. [PubChem]Thioguanine competes with hypoxanthine and guanine for the enzyme hypoxanthine-guanine phosphoribosyltransferase (HGPRTase) and is itself converted to 6-thioguanilyic acid (TGMP), which reaches high intracellular concentrations at therapeutic doses. TGMP interferes with the synthesis of guanine nucleotides by its inhibition of purine biosynthesis by pseudofeedback inhibition of glutamine-5-phosphoribosylpyrophosphate amidotransferase, the first enzyme unique to the de novo pathway of purine ribonucleotide synthesis. TGMP also inhibits the conversion of inosinic acid (IMP) to xanthylic acid (XMP) by competition for the enzyme IMP dehydrogenase. Thioguanine nucleotides are incorporated into both the DNA and the RNA by phosphodiester linkages, and some studies have shown that incorporation of such false bases contributes to the cytotoxicity of thioguanine. Its tumor inhibitory properties may be due to one or more of its effects on feedback inhibition of de novo purine synthesis; inhibition of purine nucleotide interconversions; or incorporation into the DNA and RNA. The overall result of its action is a sequential blockade of the utilization and synthesis of the purine nucleotides. CONFIDENCE standard compound; INTERNAL_ID 640; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1594; ORIGINAL_PRECURSOR_SCAN_NO 1590 CONFIDENCE standard compound; INTERNAL_ID 640; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1575; ORIGINAL_PRECURSOR_SCAN_NO 1574 CONFIDENCE standard compound; INTERNAL_ID 640; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1573; ORIGINAL_PRECURSOR_SCAN_NO 1568 CONFIDENCE standard compound; INTERNAL_ID 640; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1582; ORIGINAL_PRECURSOR_SCAN_NO 1581 CONFIDENCE standard compound; INTERNAL_ID 640; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1583; ORIGINAL_PRECURSOR_SCAN_NO 1581 CONFIDENCE standard compound; INTERNAL_ID 640; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1576; ORIGINAL_PRECURSOR_SCAN_NO 1575 CONFIDENCE standard compound; INTERNAL_ID 640; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 855; ORIGINAL_PRECURSOR_SCAN_NO 852 CONFIDENCE standard compound; INTERNAL_ID 640; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 853; ORIGINAL_PRECURSOR_SCAN_NO 850 CONFIDENCE standard compound; INTERNAL_ID 640; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 852; ORIGINAL_PRECURSOR_SCAN_NO 850 CONFIDENCE standard compound; INTERNAL_ID 640; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 872; ORIGINAL_PRECURSOR_SCAN_NO 869 CONFIDENCE standard compound; INTERNAL_ID 640; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 865; ORIGINAL_PRECURSOR_SCAN_NO 862 CONFIDENCE standard compound; INTERNAL_ID 640; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 863; ORIGINAL_PRECURSOR_SCAN_NO 861 L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2254 - Amidophosphoribosyltransferase Inhibitor D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents 6-Thioguanine (Thioguanine; 2-Amino-6-purinethiol) is an anti-leukemia and immunosuppressant agent, acts as an inhibitor of SARS and MERS coronavirus papain-like proteases (PLpros) and also potently inhibits USP2 activity, with IC50s of 25 μM and 40 μM for Plpros and recombinant human USP2, respectively.
Taurocyamine
Taurocyamine is a guanidino-taurine analogue derived from taurine. It is an intermediate of taurine and hypotaurine metabolism. The concentration of taurocyamine present in the human urine and serum could be as low as 8-78 pmol/ml. (PMID: 6520173) Plasma levels of taurocyamine are significantly increased in patients with chronic renal failure with or without hemodialysis. (PMID: 10516995). Taurocyamine is an endogenous alkaline "shifter". It effectively reduces the extent of brain intracellular lactic acidosis brought about by anoxic insult. A pH alkaline shift may protect the brain against the deleterious effects of lactic acidosis. (PMID: 8241459). Taurocyamine is an inhibitor of taurine transport and a glycine receptor antagonist in the brain (PMID: 12411417). [HMDB] Taurocyamine is a guanidino-taurine analogue derived from taurine. It is an intermediate of taurine and hypotaurine metabolism. The concentration of taurocyamine present in the human urine and serum could be as low as 8-78 pmol/ml. (PMID: 6520173) Plasma levels of taurocyamine are significantly increased in patients with chronic renal failure with or without hemodialysis. (PMID: 10516995). Taurocyamine is an endogenous alkaline "shifter". It effectively reduces the extent of brain intracellular lactic acidosis brought about by anoxic insult. A pH alkaline shift may protect the brain against the deleterious effects of lactic acidosis. (PMID: 8241459). Taurocyamine is an inhibitor of taurine transport and a glycine receptor antagonist in the brain (PMID: 12411417).
D-4-Hydroxyphenylglycine
The D-enantiomer of 4-hydroxyphenylglycine. A non-proteinogenic amino acid found in Herpetosiphon aurantiacus. D004791 - Enzyme Inhibitors
Isopyridoxal
Isopyridoxal is an active vitamer of the B6 complex in humans. (PMID 2208740). Vitamin B(6) is an essential component in human diet. (PMID 12686115). Vitamin B6 status (together with other vitamins from the B complex) is also related to Hyperhomocysteinemia, which has been linked to an increased risk for cardiovascular (CV) disease. (PMID 16407736). Isopyridoxal is an active vitamer of the B6 complex in humans. (PMID 2208740)
2,4-Diamino-6-nitrotoluene
This compound belongs to the family of Nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
2,6-Diamino-4-nitrotoluene
A member of the class of amino-nitrotoluenes that is 2,6-diaminotoluene bearing a nitro substituent at position 4.
oxfenicine
C26170 - Protective Agent > C2079 - Cardioprotective Agent The L-enantiomer of 4-hydroxyphenylglycine. D004791 - Enzyme Inhibitors Same as: D05292 Oxfenicine (L-p-Hydroxyphenylglycine) is an orally active carnitine palmitoyltransferase-1 inhibitor. Oxfenicine inhibits the oxidation of fatty acid in heart. Oxfenicine protects heart from necrotic tissue damage during ischaemia[1][2].
8-Hydroxyguanine
Formation of 8-hydroxyguanine (8-OHG), a mutagenic base which is a marker for OH-mediated DNA damage, requires peroxidase and halides and occurs in the presence of transition metal chelators (DTPA +/- desferrioxamine), and is inhibited by catalase, superoxide dismutase (SOD), and scavengers of hypohalous acids. (PMID 10820020). 8-Hydroxyguanine is an oxidative stress marker for diagnosis of Alzheimers disease (AD). (PMID 15977989). Formation of 8-hydroxyguanine (8-OHG), a mutagenic base which is a marker for OH-mediated DNA damage, requires peroxidase and halides and occurs in the presence of transition metal chelators (DTPA +/- desferrioxamine), and is inhibited by catalase, superoxide dismutase (SOD), and scavengers of hypohalous acids. (PMID 10820020)
(S)-Spinacine
(S)-Spinacine is found in beverages. (S)-Spinacine is isolated from the crab (Crango vulgaris), from the liver of the shark (Acanthias vulgaris) and from spinach. Also isolated from the roots of Panax ginsen Spinacine is an endogenous metabolite.
2,8-Dihydroxyadenine
2,8-Dihydroxyadenine is a Purine metabolite usually not detectable in biofluids of normal individuals; this insoluble metabolite (at physiological urinary pH) cause urinary tract calculi and arthritis, and is identified in Adenine phosphoribosyltransferase deficiency (APRT, OMIM 102600). (PMID 16613999) In APRT, 2,8-dihydroxyadenine (DHA) accumulates in crystals within the tubular lumens (a feature of many kidney stone diseases) creating crystal-induced injury in human kidney epithelial cells. (PMID 16374038) Urinary DHA crystals are easily recognized under a microscope, and effective treatment can be offered and therefore the prognosis depends upon the renal function at diagnosis; treatment consists of adequate fluid intake, a low-purine diet and administration of allopurinol. (PMID 15764278) [HMDB] 2,8-Dihydroxyadenine is a Purine metabolite usually not detectable in biofluids of normal individuals; this insoluble metabolite (at physiological urinary pH) cause urinary tract calculi and arthritis, and is identified in Adenine phosphoribosyltransferase deficiency (APRT, OMIM 102600). (PMID 16613999) In APRT, 2,8-dihydroxyadenine (DHA) accumulates in crystals within the tubular lumens (a feature of many kidney stone diseases) creating crystal-induced injury in human kidney epithelial cells. (PMID 16374038) Urinary DHA crystals are easily recognized under a microscope, and effective treatment can be offered and therefore the prognosis depends upon the renal function at diagnosis; treatment consists of adequate fluid intake, a low-purine diet and administration of allopurinol. (PMID 15764278).
Zapotidine
Zapotidine is found in pomes. Minor alkaloid from the seeds of Casimiroa edulis (Mexican apple
Homocysteinesulfinic acid
Homocysteinesulfinic acid, is involved in many metabolic pathways including trans-sulfuration in cysteine synthesis, re-methylation in methionine synthesis,. trans-methylation of DNA, proteins, and lipids, and biosynthesis of small hormonal and neuronal signaling molecules. Homocysteinesulfinic acid, is involved in many metabolic pathways including trans-sulfuration in cysteine synthesis, re-methylation in methionine synthesis,
3alpha,4,5,7alpha-Tetrahydro-5-hydroxy-1H-isoindole-1,3(2H)-dione
3alpha,4,5,7alpha-Tetrahydro-5-hydroxy-1H-isoindole-1,3(2H)-dione is found in milk and milk products. Potential food contaminant arising from the metabolism of Captan
3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione
3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione is found in milk and milk products. Potential food contaminant arising from the metabolism of Captan
N-Acetyltaurine
N-Acetyltaurine (also known as NAT) is a highly water-soluble and hygroscopic compound formed by the acetylation of taurine. It is both an endogenous metabolite that is constitutively synthesized in the body and an exogenous metabolite formed by ethanol metabolism. NAT is formed by one or multiple N-acetylation reactions between taurine and ethanol metabolites (primarily acetate). The enzyme responsible for NAT synthesis is called NAT synthase, a cytosolic metalloenzyme located in the kidney and liver that can directly catalyze the esterification reaction between taurine and acetate, without the involvement of ATP and CoA. NAT is a potential biomarker of hyperacetatemia as well as ethanol consumption (PMID: 22228769). NAT is typically found in human urine with normal concentrations of 0.599-1.38 umol/mmol creatinine in alcohol-abstinent subjects. NAT can reach average levels of 8.38 umol/mmol creatinine (range 5.39-10.47 umol/mmol creatinine) in subjects consuming alcohol within 3 to 6 h after the start of drinking. Positive NAT results can be used as an indicator for recent alcohol consumption (PMID: 27520321). NAT is considered a direct alcohol biomarker that specifically represents the oxidative pathway of ethanol metabolism. Other direct alcohol biomarkers such as fatty acid ethyl esters (FAEE), ethyl glucuronide, ethyl sulfate, and phosphatidylethanol reflect the non-oxidative pathway of alcohol metabolism. NAT is also elevated in urine after periods of endurance exercise. NAT was previously found in nature as a major component in the sticky droplet of orb spider web. Due to its high hygroscopicity, N-acetyltaurine appears to ensure the orb spider’s web flexibility.
2-Hydroxy-N-(2-hydroxyphenyl)acetamide
2-Hydroxy-N-(2-hydroxyphenyl)acetamide (HHPAA) is a benzoxazinoid metabolite. It is a potential urinary biomarker of whole grain intake (PMID: 26264776).
4-Hydroxyphenylglycine
D004791 - Enzyme Inhibitors
N-dimethylethanolamine phosphate
N-dimethylethanolamine phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). N-dimethylethanolamine phosphate can be found in a number of food items such as green zucchini, cucumber, breadfruit, and peach, which makes N-dimethylethanolamine phosphate a potential biomarker for the consumption of these food products.
3alpha,4beta-dihydroxy-6-oxo-1-cyclohexene-1-acetonitrile
5-Amino-furfurol-acetylhydrazon|5-Aminofurfurol-acetylhydrazon
methyl 1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
N-(4-ethenyl-4-hydroxy-3-oxocyclopenten-1-yl)formamide
pyridoxal
A pyridinecarbaldehyde that is pyridine-4-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 5 respectively. The 4-carboxyaldehyde form of vitamin B6, it is converted into pyridoxal phosphate, a coenzyme for the synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid. D018977 - Micronutrients > D014815 - Vitamins relative retention time with respect to 9-anthracene Carboxylic Acid is 0.055 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053
Isopyridoxal
A pyridinecarbaldehyde that is pyridine-5-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 4 respectively.
4-Hydroxyphenylglycine
A glycine molecule carrying a 4-hydroxyphenyl substituent. D004791 - Enzyme Inhibitors
thioguanine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2254 - Amidophosphoribosyltransferase Inhibitor D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents 6-Thioguanine (Thioguanine; 2-Amino-6-purinethiol) is an anti-leukemia and immunosuppressant agent, acts as an inhibitor of SARS and MERS coronavirus papain-like proteases (PLpros) and also potently inhibits USP2 activity, with IC50s of 25 μM and 40 μM for Plpros and recombinant human USP2, respectively.
2,8-Dihydroxyadenine
A member of the class of 6-aminopurines that is adenine bearing two hydroxy substituents at positions 2 and 8. It is a highly insoluble metabolite of adenine that causes radiolucent urolithiasis. It is produced by individuals who suffer from adenine phosphoribosyltransferase (APRT) deficiency, a rare autosomal recessive error of purine metabolism.
1,2,3,4-tetrahydro-4-Hydroxyphthalimide
1,2,3,6-tetrahydro-3-Hydroxyphthalimide
1-Methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid methyl ester
1H-Imidazo[4,5-c]pyridine-4-carboxylicacid,4,5,6,7-tetrahydro-(9CI)
5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLIC ACID
C-(2-METHYL-IMIDAZO[2,1-B]THIAZOL-6-YL)-METHYLAMINE
Methyl 1-methyl-6-oxo-1,6-dihydropyridine-2-carboxylate
1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid methyl ester
4,5,6,7-Tetrahydro-2,1-benzisoxazole-3-carboxylic acid
6-Ethyl-2-oxo-1,2-dihydro-pyridine-4-carboxylic acid
5H-Pyrrolo[2,1-c]-1,2,4-triazole-5-carboxylicacid,6,7-dihydro-3-methyl-(9CI)
(2,3-DIHYDRO-[1,4]DIOXINO[2,3-B]PYRIDIN-6-YL)METHANOL
1-BENZYL 2-METHYL (S)-(-)-1,2-AZIRIDINEDICARBOXYLATE
(2,3-DIHYDRO-[1,4]DIOXINO[2,3-C]PYRIDIN-7-YL)METHANOL
Aminolevulinic acid hydrochloride
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents C1420 - Photosensitizing Agent D003879 - Dermatologic Agents 5-Aminolevulinic acid hydrochloride (5-ALA hydrochloride) is an intermediate in heme biosynthesis in the body and the universal precursor of tetrapyrroles.
5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-fluoro-4-isocyanato-1-methoxybenzene(SALTDATA: FREE)
(3ALPHAR,6ALPHAS)-TETRAHYDRO-1H-CYCLOPENTA[C]FURAN-1,3(3AH)-DIONE(3)
(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-methanol
N-methyltetrahydro-2H-thiopyran-4-amine(SALTDATA: HCl)
5-CYCLOPROPYL-ISOXAZOLE-3-CARBOXYLIC ACID METHYL ESTER
Pyrrole-3-carboxylic acid, 4-acetyl-5-methyl- (6CI)
1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-ol
4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde
4-Oxo-1,4-dihydro-pyridine-3-carboxylicacidethylester
5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
methyl 5-methyl-1-oxidopyridin-1-ium-2-carboxylate
4-Methyl-3,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione
(3R,4R,5S,6R)-6-Fluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-olate
(3,4-Dihydroxyphenyl)acetate
A dihydroxy monocarboxylic acid anion that is the conjugate base of (3,4-dihydroxyphenyl)acetic acid, arising from deprotonation of the carboxy group. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Homogentisate
A dihydroxy monocarboxylic acid anion that is the conjugate base of (2,6-dihydroxyphenyl)acetic (homogentisic) acid, arising from deprotonation of the carboxy group.
4-Hydroxymandelate
A 2-hydroxycarboxylate that is obtained by removal of a proton from the carboxylic acid group of 4-hydroxymandelic acid.
Acetyltaurine
An amino sulfonic acid that is taurine substituted by an acetyl group at the N atom.
Myrothenone A
An alicyclic ketone which is 3-oxocyclopent-1-ene substituted by a formamido group at position 1 as well as vinyl and hydroxy groups at position 4. It is isolated from a marine derived fungus Myrothecium sp. and acts as an inhibitor of tyrosinase enzyme (EC 1.14.18.1).
3-Hydroxy-4-methoxybenzoate
A monohydroxybenzoate that is the conjugate base of 3-hydroxy-4-methoxybenzoic acid, arising from deprotonation of the carboxy group.
3-Methoxyanthranilic acid
An aminobenzoic acid that is anthranilic acid in which the hydrogen at position 3 is substituted by a methoxy group. It is a metabolite of kynurenine.
4-Methyl-3-hydroxyanthranilic acid
An aminobenzoic acid that is anthranilic acid substituted by a hydroxy group at position 3 and a methyl group at position 4.
5-hydroxy-2,3,3a,4,5,7a-hexahydro-1H-isoindole-1,3-dione
3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione
(3,5-dihydroxyphenyl)acetate
A dihydroxy monocarboxylic acid anion that is the conjugate base of (3,5-dihydroxyphenyl)acetic acid, arising from deprotonation of the carboxy group; major microspecies at pH 7.3.
2,8-dioxoadenine
An oxopurine that is adenine bearing two oxo substituents at positions 2 and 8.
D-4-hydroxyphenylglycine zwitterion
A D-alpha-amino acid zwitterion that is D-4-hydroxyphenylglycine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.
(3z)-3-(1-aminoethylidene)-6-methylpyran-2,4-dione
2-(4-hydroxyphenyl)-1-nitroethane
{"Ingredient_id": "HBIN004413","Ingredient_name": "2-(4-hydroxyphenyl)-1-nitroethane","Alias": "NA","Ingredient_formula": "C8H9NO3","Ingredient_Smile": "C1=CC(=CC=C1CC[N+](=O)[O-])O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10628","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
