Exact Mass: 168.0587
Exact Mass Matches: 168.0587
Found 500 metabolites which its exact mass value is equals to given mass value 168.0587,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
beta-Carboline
beta-Carboline, also known as norharmane, is an organic amine and is the prototype of a class of compounds known as beta-carbolines. beta-Carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety. beta-Carboline is a very strong basic compound (based on its pKa). beta-Carboline alkaloids are widely distributed in plants and animals and many are inverse agonists of the GABA-A receptor complex (PMID: 17334612). Other biological activities demonstrated by these compounds include intercalation; inhibition of CDK, topoisomerase, and monoamine oxidase; and interaction with 5-hydroxy serotonin receptors. These compounds have also exhibited sedative, anxiolytic, hypnotic, anticonvulsant, antitumor, antiviral, antiparasitic, and antimicrobial activities (PMID: 17305548). b-Carboline (9H-pyrido[3,4-b]indole) is an organic amine that is the prototype of a class of compounds known as b-carbolines. [HMDB]. Norharman is found in chicory. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 75 CONFIDENCE standard compound; INTERNAL_ID 2883 D009676 - Noxae > D009498 - Neurotoxins D009676 - Noxae > D009153 - Mutagens Norharmane (Norharman), a β-carboline alkaloid, is a potent and reversible monoamine oxidase inhibitor, with IC50 values of 6.5 and 4.7 μM for MAO-A and MAO-B, respectively. Norharmane causes antidepressant responses. Norharmane is also a prospective anti-cancer photosensitizer. Norharmane alters polar auxin transport (PAT) by inhibiting PIN2, PIN3 and PIN7 transport proteins, thus causing a significant inhibitory effect on the growth of Arabidopsis thaliana seedlings[1][2][3][4][5][6]. Norharmane (Norharman), a β-carboline alkaloid, is a potent and reversible monoamine oxidase inhibitor, with IC50 values of 6.5 and 4.7 μM for MAO-A and MAO-B, respectively. Norharmane causes antidepressant responses. Norharmane is also a prospective anti-cancer photosensitizer. Norharmane alters polar auxin transport (PAT) by inhibiting PIN2, PIN3 and PIN7 transport proteins, thus causing a significant inhibitory effect on the growth of Arabidopsis thaliana seedlings[1][2][3][4][5][6].
N-Cyclopropylammelide
A dihydroxy-1,3,5-triazine consisting of ammelide bearing an N-cyclohexyl substituent.
4-hydroxymandelic acid
p-Hydroxymandelic acid is an acidic metabolite of p-octopamine and p-synephrine (p-phenylephrine). It is also a naturally occurring metabolite of tyramine. A specific enantiomer of p-hydroxymandelic aicd ((R)-(-)-p-hydroxymandelic -- also called pisolithin B) has been shown to exhibit antifungal properties. An acidic metabolite of p-octopamine and p-synephrine (p-phenylephrine). It is also a naturally occurring metabolite of tyramine. A specific enantiomer of p-hydroxymandelic aicd ((R)-(-)-p-hydroxymandelic -- also called pisolithin B) has been shown to exhibit antifungal properties. [HMDB] D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids p-Hydroxymandelic acid is a valuable aromatic fine chemical and widely used for production of pharmaceuticals and food additives.
4-Hydroxymandelate
A 2-hydroxy carboxylic acid that is mandelic acid bearing a phenolic hydroxy substituent at position 4. D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids KEIO_ID H081 p-Hydroxymandelic acid is a valuable aromatic fine chemical and widely used for production of pharmaceuticals and food additives.
2,3-Diaminosalicylic acid
2,3-diaminosalicylic acid is classified as a member of the aminobenzoic acids. Aminobenzoic acids are benzoic acids containing an amine group attached to the benzene moiety. 2,3-diaminosalicylic acid is considered to be a slightly soluble (in water) and a moderately acidic compound. 2,3-diaminosalicylic acid can be found in blood and urine. A human metabolite taken as a putative food compound of mammalian origin [HMDB]
2-Pyrroloylglycine
2-Pyrroloylglycine belongs to the family of Acyl Glycines. These are organic compounds containing a glycine residue with the N-atom attached to another moiety through an N-ester bond
(3R,4R,5R)-3-Fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
2-Methylthio-3-isopropylpyrazine
2-methylthio-3-isopropylpyrazine is a member of the class of compounds known as aryl thioethers. Aryl thioethers are organosulfur compounds containing a thioether group that is substituted by an aryl group. 2-methylthio-3-isopropylpyrazine is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-methylthio-3-isopropylpyrazine can be found in fenugreek, which makes 2-methylthio-3-isopropylpyrazine a potential biomarker for the consumption of this food product.
2,6-diamino-4-hydroxy-5-formamidopyrimidine
2,6-diamino-4-hydroxy-5-formamidopyrimidine is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2,6-diamino-4-hydroxy-5-formamidopyrimidine can be found in a number of food items such as vanilla, agave, radish (variety), and common buckwheat, which makes 2,6-diamino-4-hydroxy-5-formamidopyrimidine a potential biomarker for the consumption of these food products.
Orsellic acid
Orsellinic acid is a compound produced by Lecanoric acid treated with alcohols. Lecanoric acid is a lichen depside isolated from a Parmotrema tinctorum specimen[1].
isovanillic acid
Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1]. Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1].
Methyl protocatechuate
Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester; Methyl protocatechuate) is a major metabolite of antioxidant polyphenols found in green tea. Antioxidant and anti-inflammatory effect[1]. Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester; Methyl protocatechuate) is a major metabolite of antioxidant polyphenols found in green tea. Antioxidant and anti-inflammatory effect[1].
3-Methoxysalicylic acid
Benzoic acid substituted with a hydroxy group at position C-2 and a methoxy group at position C-3.
4-Methoxysalicylic acid
2-hydroxy-4-methoxybenzoic acid belongs to P-methoxybenzoic acids and derivatives class of compounds. Those are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group. 2-hydroxy-4-methoxybenzoic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-hydroxy-4-methoxybenzoic acid can be found in evening primrose, which makes 2-hydroxy-4-methoxybenzoic acid a potential biomarker for the consumption of this food product. 2-Hydroxy-4-methoxybenzoic acid is a derivative of methoxybenzoic. 2-Hydroxy-4-methoxybenzoic is a potential biomarker. 2-Hydroxy-4-methoxybenzoic acid is a derivative of methoxybenzoic. 2-Hydroxy-4-methoxybenzoic is a potential biomarker.
2-Hydroxy-6-methoxybenzoic acid
2-Hydroxy-6-methoxybenzoic acid can be used for the determination of acetylsalicylic acid and its major metabolite, salicylic acid, in animal plasma. 2-Hydroxy-6-methoxybenzoic acid exhibits significant analgesic effects[1][2]. 2-Hydroxy-6-methoxybenzoic acid can be used for the determination of acetylsalicylic acid and its major metabolite, salicylic acid, in animal plasma. 2-Hydroxy-6-methoxybenzoic acid exhibits significant analgesic effects[1][2].
Methyl 2,6-dihydroxybenzoate
Methyl 2,6-dihydroxybenzoate is a volatile, that can be isolated from whole flowers and corolla of Primula spectabilis[1].
2-hydroxy-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
3-ethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
METHYL 2,4-DIHYDROXYBENZOATE
Methyl 2,4-dihydroxybenzoate is an active compound. Methyl 2,4-dihydroxybenzoate can be used for the research of various biochemical studies[1].
Griffonilide
Griffonilide is a natural product found in Semiaquilegia adoxoides and Piliostigma thonningii with data available. Griffonilide is a butenolide, isolated from the roots of Semiaquilegia adoxoides, and often occurs alongside lithospermoside[1][2]. Griffonilide is a butenolide, isolated from the roots of Semiaquilegia adoxoides, and often occurs alongside lithospermoside[1][2].
MDHB compound
Methyl 3,4-dihydroxybenzoate is a methyl ester resulting from the formal condensation of the carboxy group of 3,4-dihydroxybenzoic acid with methanol. It has a role as an antioxidant, a neuroprotective agent and a plant metabolite. It is a methyl ester and a member of catechols. It is functionally related to a 3,4-dihydroxybenzoic acid. Methyl 3,4-dihydroxybenzoate is a natural product found in Smilax bracteata, Rhododendron simsii, and other organisms with data available. See also: Acai fruit pulp (part of). A methyl ester resulting from the formal condensation of the carboxy group of 3,4-dihydroxybenzoic acid with methanol. Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester; Methyl protocatechuate) is a major metabolite of antioxidant polyphenols found in green tea. Antioxidant and anti-inflammatory effect[1]. Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester; Methyl protocatechuate) is a major metabolite of antioxidant polyphenols found in green tea. Antioxidant and anti-inflammatory effect[1].
Norharmane
D009676 - Noxae > D009498 - Neurotoxins D009676 - Noxae > D009153 - Mutagens IPB_RECORD: 2981; CONFIDENCE confident structure Norharmane (Norharman), a β-carboline alkaloid, is a potent and reversible monoamine oxidase inhibitor, with IC50 values of 6.5 and 4.7 μM for MAO-A and MAO-B, respectively. Norharmane causes antidepressant responses. Norharmane is also a prospective anti-cancer photosensitizer. Norharmane alters polar auxin transport (PAT) by inhibiting PIN2, PIN3 and PIN7 transport proteins, thus causing a significant inhibitory effect on the growth of Arabidopsis thaliana seedlings[1][2][3][4][5][6]. Norharmane (Norharman), a β-carboline alkaloid, is a potent and reversible monoamine oxidase inhibitor, with IC50 values of 6.5 and 4.7 μM for MAO-A and MAO-B, respectively. Norharmane causes antidepressant responses. Norharmane is also a prospective anti-cancer photosensitizer. Norharmane alters polar auxin transport (PAT) by inhibiting PIN2, PIN3 and PIN7 transport proteins, thus causing a significant inhibitory effect on the growth of Arabidopsis thaliana seedlings[1][2][3][4][5][6].
2,4,6-Trihydroxyaceto-phenone
Profile spectrum of this record is given as a JPEG file.; [Profile] MCH00013.jpg Profile spectrum of this record is given as a JPEG file.; [Profile] MCH00012.jpg
3-Hydroxymandelic acid
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids A 2-hydroxy monocarboxylic acid that is mandelic acid substituted by a hydroxy group at position 3. Acquisition and generation of the data is financially supported in part by CREST/JST. 3-Hydroxymandelic Acid, a metabolite of Phenylephrine, Phenylephrine is a α-receptor agonist.
3,4-dihydroxyphenylacetic acid
3,4-Dihydroxybenzeneacetic acid is the main neuronal metabolite of dopamine.
Homogentisate
Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria. Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria.
Homogentisic acid
A dihydroxyphenylacetic acid having the two hydroxy substituents at the 2- and 5-positions. Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria. Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria.
5-Methoxysalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates 5-Methoxysalicylic acid (5-MeOSA) is a natural compound, used as a useful matrix in the MALDI MS analysis of oligonucleotides when combined with spermine[1].
Vanillic Acid
Vanillic acid is a flavoring agent found in edible plants and fruits, also found in Angelica sinensis. Vanillic acid inhibits NF-κB activation. Anti-inflammatory, antibacterial, and chemopreventive effects[1]. Vanillic acid is a flavoring agent found in edible plants and fruits, also found in Angelica sinensis. Vanillic acid inhibits NF-κB activation. Anti-inflammatory, antibacterial, and chemopreventive effects[1].
2,6-Dimethoxyquinone
2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1]. 2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1].
Norharman
D009676 - Noxae > D009498 - Neurotoxins D009676 - Noxae > D009153 - Mutagens Annotation level-1 Norharmane (Norharman), a β-carboline alkaloid, is a potent and reversible monoamine oxidase inhibitor, with IC50 values of 6.5 and 4.7 μM for MAO-A and MAO-B, respectively. Norharmane causes antidepressant responses. Norharmane is also a prospective anti-cancer photosensitizer. Norharmane alters polar auxin transport (PAT) by inhibiting PIN2, PIN3 and PIN7 transport proteins, thus causing a significant inhibitory effect on the growth of Arabidopsis thaliana seedlings[1][2][3][4][5][6]. Norharmane (Norharman), a β-carboline alkaloid, is a potent and reversible monoamine oxidase inhibitor, with IC50 values of 6.5 and 4.7 μM for MAO-A and MAO-B, respectively. Norharmane causes antidepressant responses. Norharmane is also a prospective anti-cancer photosensitizer. Norharmane alters polar auxin transport (PAT) by inhibiting PIN2, PIN3 and PIN7 transport proteins, thus causing a significant inhibitory effect on the growth of Arabidopsis thaliana seedlings[1][2][3][4][5][6].
Phloracetophenone
Phloracetophenone (2,4,6-trihydroxyacetophenone) is the aglycone part of acetophenone glycoside obtained from Curcuma comosa Roxb, with cholesterol-lowering activity. Phloracetophenone enhances cholesterol 7α-hydroxylase (CYP7A1) activity[1]. Phloracetophenone stimulats bile secretion mediated through Mrp2[2]. Phloracetophenone (2,4,6-trihydroxyacetophenone) is the aglycone part of acetophenone glycoside obtained from Curcuma comosa Roxb, with cholesterol-lowering activity. Phloracetophenone enhances cholesterol 7α-hydroxylase (CYP7A1) activity[1]. Phloracetophenone stimulats bile secretion mediated through Mrp2[2].
5-Carboline
CONFIDENCE standard compound; INTERNAL_ID 2881 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 71
2-hydroxy-6-pentafluoroethyl-pyrimidine-5-carboxylic acid
6-Methyl-4,5,6,7-tetrahydrobenzo[d]thiazol-2-amine
1H-Pyrazole-3-carboxylic acid, 5-acetyl-, methyl ester (9CI)
5-CHLORO-4-IODO-1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDINE
6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid
6,7-Dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
1,6-Dihydro-6-oxo-4-pyriMidinecarboxylic acid ethyl ester
(2S,4S)-4-FLUOROPYRROLIDINE-2-CARBOXAMIDE HYDROCHLORIDE
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
H-D-Orn-OH·HCl
D-Ornithine ((R)-Ornithine) hydrochloride is an endogenous metabolite. D-Ornithine ((R)-Ornithine) hydrochloride is an endogenous metabolite.
6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxylic acid
(2S,4R)-4-FLUOROPYRROLIDINE-2-CARBOXAMIDE HYDROCHLORIDE
Pyrazinecarboxylic acid 4,5-dihydro-6-methyl-5-oxo-methyl ester
1H-Pyrrole-2-carboxylicacid,4-(aminocarbonyl)-1-methyl-(9CI)
6-Methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-4-amine
1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanamine
Benzeneacetonitrile, a-amino-, hydrochloride (1:1)
6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
3-Pyridinecarboxamide,1,2-dihydro-4-hydroxy-6-methyl-2-oxo-
1,4,6,7-Tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine
1H-Imidazole-4-carboxylicacid,5-formyl-,ethylester(9CI)
2-Pyrimidinecarboxylicacid,4-methoxy-,methylester(9CI)
L-Ornithine hydrochloride
L-Ornithine hydrochloride is a non-proteinogenic amino acid, is mainly used in urea cycle removing excess nitrogen in vivo. L-Ornithine hydrochloride shows nephroprotective[1][2].
Vanillate
Vanillic acid is a flavoring agent found in edible plants and fruits, also found in Angelica sinensis. Vanillic acid inhibits NF-κB activation. Anti-inflammatory, antibacterial, and chemopreventive effects[1]. Vanillic acid is a flavoring agent found in edible plants and fruits, also found in Angelica sinensis. Vanillic acid inhibits NF-κB activation. Anti-inflammatory, antibacterial, and chemopreventive effects[1].
2150-43-8
Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester; Methyl protocatechuate) is a major metabolite of antioxidant polyphenols found in green tea. Antioxidant and anti-inflammatory effect[1]. Methyl 3,4-dihydroxybenzoate (Protocatechuic acid methyl ester; Methyl protocatechuate) is a major metabolite of antioxidant polyphenols found in green tea. Antioxidant and anti-inflammatory effect[1].
480-66-0
Phloracetophenone (2,4,6-trihydroxyacetophenone) is the aglycone part of acetophenone glycoside obtained from Curcuma comosa Roxb, with cholesterol-lowering activity. Phloracetophenone enhances cholesterol 7α-hydroxylase (CYP7A1) activity[1]. Phloracetophenone stimulats bile secretion mediated through Mrp2[2]. Phloracetophenone (2,4,6-trihydroxyacetophenone) is the aglycone part of acetophenone glycoside obtained from Curcuma comosa Roxb, with cholesterol-lowering activity. Phloracetophenone enhances cholesterol 7α-hydroxylase (CYP7A1) activity[1]. Phloracetophenone stimulats bile secretion mediated through Mrp2[2].
464139_ALDRICH
2-Hydroxy-6-methoxybenzoic acid can be used for the determination of acetylsalicylic acid and its major metabolite, salicylic acid, in animal plasma. 2-Hydroxy-6-methoxybenzoic acid exhibits significant analgesic effects[1][2]. 2-Hydroxy-6-methoxybenzoic acid can be used for the determination of acetylsalicylic acid and its major metabolite, salicylic acid, in animal plasma. 2-Hydroxy-6-methoxybenzoic acid exhibits significant analgesic effects[1][2].
Ornithine
A non-essential and nonprotein amino acid, ornithine is critical for the production of the bodys proteins, enzymes and muscle tissue. Ornithine plays a central role in the urea cycle and is important for the disposal of excess nitrogen (ammonia). Ornithine is the starting point for the synthesis of many polyamines such as putrescine and spermine. Ornithine supplements are claimed to enhance the release of growth hormone and to burn excess body fat. Ornithine is necessary for proper immune function and good liver function.; AF112968; L-Ornithine is one of the products of the action of the enzyme arginase on L-arginine, creating urea. Therefore, ornithine is a central part of the urea cycle, which allows for the disposal of excess nitrogen. Ornithine is recycled and in a manner is a catalyst. First, ammonia is converted into carbamoyl phosphate (phosphate-CONH2), which creates one half of urea. Ornithine is converted into a urea derivative at the ? (terminal) nitrogen by carbamoyl phosphate. Another nitrogen is added from aspartate, producing the denitrogenated fumarate, and the resulting arginine (a guanidinium compound) is hydrolysed back to ornithine, producing urea. The nitrogens of urea come from the ammonia and aspartate, and the nitrogen in ornithine remains intact.; ORNT1). Mutations in the mitochondrial ornithine transporter result in hyperammonemia, hyperornithinemia, homocitrullinuria (HHH) syndrome, a disorder of the urea cycle. (PMID 16256388) The pathophysiology of the disease may involve diminished ornithine transport into mitochondria, resulting in ornithine accumulation in the cytoplasm and reduced ability to clear carbamoyl phosphate and ammonia loads. (OMIM 838970); Ornithine is an amino acid produced in the urea cycle by the splitting off of urea from arginine. It is a central part of the urea cycle, which allows for the disposal of excess nitrogen. L-Ornithine is also a precursor of citrulline and arginine. In order for ornithine produced in the cytosol to be converted to citrulline, it must first cross the inner mitochondrial membrane into the mitochondrial matrix where it is carbamylated by ornithine transcarbamylase. This transfer is mediated by the mitochondrial ornithine transporter (SLC25A15; Ornithine is an amino acid which plays a role in the urea cycle. Ornithine is found in many foods, some of which are soft-necked garlic, orange bell pepper, sunburst squash (pattypan squash), and cucumber. L-Ornithine hydrochloride is a non-proteinogenic amino acid, is mainly used in urea cycle removing excess nitrogen in vivo. L-Ornithine hydrochloride shows nephroprotective[1][2].
(3R,4R,5R)-3-Fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
Pyridoxal(1+)
A pyridinium ion obtained by protonation of the ring nitrogen of pyridoxal. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3,4-Dihydroxymandelaldehyde
A hydroxyaldehyde consisting of phenylacetaldehyde having three hydroxy substituents located at the alpha-, 3- and 4-positions. It is a metabolite of noradrenaline. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(R)-4-hydroxymandelic acid
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids A 4-hydroxymandelic acid that has R-configuration.
3-[(Z)-2-isocyanovinyl]indole
A 3-(2-isocyanovinyl)indole in which the double bond of the isocyanovinyl group has Z (cis-) configuration. An antibacterial agent isolated from a species of Pseudomonas.
N,N-dimethylethanolamine phosphate(1-)
Conjugate base of N,N-dimethylethanolamine phosphate.
tetraacetic acid lactone
A member of the class of 2-pyranones that is 2H-pyran-2-one which is substituted at positions 4 and 6 by hydroxy and acetonyl groups, respectively.
(3,5-dihydroxyphenyl)acetic acid
A monocarboxylic acid that is phenylacetic acid carrying two hydroxy substituents at positions 3 and 5 on the benzene ring.
(3,4-DIHYDROXYPHENYL)ACETIC ACID
A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine.
beta-Carboline
The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring.
(S)-4-hydroxymandelic acid
A 4-hydroxymandelic acid that has S-configuration.
(R)-3,4-dihydroxymandelaldehyde
A 3,4-dihydroxymandelaldehyde that has R-configuration.
D-Ornithine hydrochloride
D-Ornithine ((R)-Ornithine) hydrochloride is an endogenous metabolite. D-Ornithine ((R)-Ornithine) hydrochloride is an endogenous metabolite. D-Ornithine, hydrochloride (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=16682-12-5 (retrieved 2024-08-19) (CAS RN: 16682-12-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
(2e)-5-hydroxy-4-methyl-2-(2-oxopropylidene)furan-3-one
(6s,7r,7ar)-6,7-dihydroxy-7,7a-dihydro-6h-1-benzofuran-2-one
(2r,3r,5s,6r)-4,9-dioxatricyclo[5.3.0.0³,⁵]deca-1(10),7-diene-2,6-diol
1-(3,4,5-trimethoxyphenyl)-1'S,2'-ethanediol
{"Ingredient_id": "HBIN001023","Ingredient_name": "1-(3,4,5-trimethoxyphenyl)-1'S,2'-ethanediol","Alias": "NA","Ingredient_formula": "C8H8O4","Ingredient_Smile": "CC(=O)C1=CC(=C(C(=C1)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42497","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy-3-methoxybenzoic
{"Ingredient_id": "HBIN010475","Ingredient_name": "4-hydroxy-3-methoxybenzoic","Alias": "NA","Ingredient_formula": "C8H8O4","Ingredient_Smile": "COC1=C(C=CC(=C1)C(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33675","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
