Exact Mass: 208.0907
Exact Mass Matches: 208.0907
Found 500 metabolites which its exact mass value is equals to given mass value 208.0907,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Chalcone
Chalcone is a member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group. It has a role as a plant metabolite. It is a member of styrenes and a member of chalcones. Chalcone is a natural product found in Tilia tomentosa, Alpinia hainanensis, and other organisms with data available. An aromatic KETONE that forms the core molecule of CHALCONES. A member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group. Annotation level-1 Acquisition and generation of the data is financially supported in part by CREST/JST. Chalcone is isolated from Glycyrrhiza uralensis and used to synthesize chalcone derivatives. Chalcone derivatives possess varied biological and pharmacological activity, including anti-inflammatory, antioxidative, antibacterial, anticancer, and anti-parasitic activities[1]. Chalcone is isolated from Glycyrrhiza uralensis and used to synthesize chalcone derivatives. Chalcone derivatives possess varied biological and pharmacological activity, including anti-inflammatory, antioxidative, antibacterial, anticancer, and anti-parasitic activities[1]. trans-Chalcone, isolated from Aronia melanocarpa skin, is a biphenolic core structure of flavonoids precursor. trans-Chalcone is a potent fatty acid synthase (FAS) and α-amylase inhibitor. trans-Chalcone causes cellcycle arrest and induces apoptosis in the breastcancer cell line MCF-7. trans-Chalcone has antifungal and anticancer activity[1][2][3]. trans-Chalcone, isolated from Aronia melanocarpa skin, is a biphenolic core structure of flavonoids precursor. trans-Chalcone is a potent fatty acid synthase (FAS) and α-amylase inhibitor. trans-Chalcone causes cellcycle arrest and induces apoptosis in the breastcancer cell line MCF-7. trans-Chalcone has antifungal and anticancer activity[1][2][3]. Chalcone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=94-41-7 (retrieved 2024-09-27) (CAS RN: 94-41-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
L-Kynurenine
Kynurenine is a metabolite of the amino acid tryptophan used in the production of niacin. L-Kynurenine is a central compound of the tryptophan metabolism pathway since it can change into the neuroprotective agent kynurenic acid or to the neurotoxic agent quinolinic acid. The break-up of these endogenous compounds balance can be observable in many disorders such as stroke, epilepsy, multiple sclerosis, and amyotrophic lateral sclerosis. It can also occur in neurodegenerative disorders such as Parkinsons disease, Huntingtons, and Alzheimers disease; and in mental disorders such as schizophrenia and depression. Kynurenine is a metabolite of the amino acid tryptophan used in the production of niacin. [Raw Data] CBA10_Kynurenine_pos_10eV_1-2_01_666.txt [Raw Data] CBA10_Kynurenine_pos_30eV_1-2_01_668.txt [Raw Data] CBA10_Kynurenine_pos_40eV_1-2_01_669.txt [Raw Data] CBA10_Kynurenine_pos_20eV_1-2_01_667.txt [Raw Data] CBA10_Kynurenine_pos_50eV_1-2_01_670.txt L-Kynurenine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2922-83-0 (retrieved 2024-07-01) (CAS RN: 2922-83-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid is an endogenous metabolite. L-Kynurenine is a metabolite of the amino acid L-tryptophan. L-Kynurenine is an aryl hydrocarbon receptor agonist.
Epibatidine
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Formyl-5-hydroxykynurenamine
Formyl-5-hydroxykynurenamine belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group and a phenyl group. Formyl-5-hydroxykynurenamine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Formyl-5-hydroxykynurenamine can be biosynthesized from serotonin; which is mediated by the enzyme indoleamine 2,3-dioxygenase 1 [EC 1.13.11.52]. In humans, formyl-5-hydroxykynurenamine is involved in the tryptophan metabolism pathway. Formyl-5-hydroxykynurenamine is found in the tryptophan metabolism pathway. It is produced from serotonin through the action of indoleamine 2,3-dioxygenase [EC:1.13.11.52]. [HMDB]
1-Methoxyphenanthrene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
Chalcone
Chalcone is an aromatic ketone that forms the central core for a variety of important biological compounds, which are known collectively as chalcones. They show antibacterial, antifungal, antitumor and anti-inflammatory properties. They are also intermediates in the biosynthesis of flavonoids, which are substances widespread in plants and with an array of biological activities. Chalcones are also intermediates in the Auwers synthesis of flavones.Chalcones can be prepared by an aldol condensation between a benzaldehyde and an acetophenone in the presence of sodium hydroxide as a catalyst. This reaction has been found to work in without any solvent at all - a solid-state reaction. The reaction between substituted benzaldehydes and acetophenones has been used to demonstrate green chemistry in undergraduate chemistry education. In a study investigating green chemistry synthesis, chalcones were also synthesized from the same starting materials in high temperature water (200 to 350 degree centigrade). Chalcone is an aromatic ketone that forms the central core for a variety of important biological compounds, which are known collectively as chalcones. They show antibacterial, antifungal, antitumor and anti-inflammatory properties. They are also intermediates in the biosynthesis of flavonoids, which are substances widespread in plants and with an array of biological activities. Chalcones are also intermediates in the Auwers synthesis of flavones.Chalcones can be prepared by an aldol condensation between a benzaldehyde and an acetophenone in the presence of sodium hydroxide as a catalyst. Chalcone is isolated from Glycyrrhiza uralensis and used to synthesize chalcone derivatives. Chalcone derivatives possess varied biological and pharmacological activity, including anti-inflammatory, antioxidative, antibacterial, anticancer, and anti-parasitic activities[1]. Chalcone is isolated from Glycyrrhiza uralensis and used to synthesize chalcone derivatives. Chalcone derivatives possess varied biological and pharmacological activity, including anti-inflammatory, antioxidative, antibacterial, anticancer, and anti-parasitic activities[1].
D-Kynurenine
Kynurenine, also known as 3-anthraniloylalanine, is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Kynurenine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Kynurenine can be found in a number of food items such as yellow zucchini, carrot, spinach, and broccoli, which makes kynurenine a potential biomarker for the consumption of these food products. Kynurenine is synthesized by the enzyme tryptophan dioxygenase, which is made primarily but not exclusively in the liver, and indoleamine 2,3-dioxygenase, which is made in many tissues in response to immune activation. Kynurenine and its further breakdown products carry out diverse biological functions, including dilating blood vessels during inflammation and regulating the immune response. Some cancers increase kynurenine production, which increases tumor growth . 2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid is an endogenous metabolite.
Dambonitol
Latex used for manufacture of chewing gum. Latex used for manuf. of chewing gum.
Ethyl alpha-glucopyranoside
Ethyl beta-D-glucopyranoside is a constituent of Citrus peels, the fresh root cortex of Manihot esculenta (cassava), and other plant subspecies. Ethyl beta-D-glucopyranoside is found in many foods, some of which are root vegetables, citrus, alcoholic beverages, and fruits. Constituent of Citrus peels, the fresh root cortex of Manihot esculenta (cassava) and other plant subspecies Ethyl beta-D-glucopyranoside is found in many foods, some of which are root vegetables, citrus, alcoholic beverages, and fruits.
4-Aminobenzoyl-(beta)-alanine
4-Aminobenzoyl-(beta)-alanine is a metabolite of balsalazide. Balsalazide is an anti-inflammatory drug used in the treatment of inflammatory bowel disease. It is sold under the name Colazal in the US and Colazide in the UK. It is also sold in generic form in the US by several generic manufacturers. It is usually administered as the disodium salt. Balsalazide releases mesalazine, also known as 5-aminosalicylic acid, or 5-ASA, in the large intestine. (Wikipedia)
Ethyl glucoside
Constituent of Citrus peels, the fresh root cortex of Manihot esculenta (cassava) and other plant subspecies Ethyl beta-D-glucopyranoside is found in many foods, some of which are root vegetables, citrus, alcoholic beverages, and fruits.
(+)-Epibatidine
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Allobarbital
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Neocuproine
D064449 - Sequestering Agents > D002614 - Chelating Agents D000970 - Antineoplastic Agents
2',6'-O-Diacetyloninin
2,6-o-diacetyloninin belongs to pteridines and derivatives class of compounds. Those are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine. 2,6-o-diacetyloninin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,6-o-diacetyloninin can be found in soy bean, which makes 2,6-o-diacetyloninin a potential biomarker for the consumption of this food product.
Ethyl beta-D-fructofuranoside
Ethyl beta-d-fructofuranoside is a member of the class of compounds known as C-glycosyl compounds. C-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. Ethyl beta-d-fructofuranoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Ethyl beta-d-fructofuranoside can be found in common wheat, which makes ethyl beta-d-fructofuranoside a potential biomarker for the consumption of this food product.
Kynurenine
L-Kynurenine is a metabolite of the amino acid L-tryptophan. L-Kynurenine is an aryl hydrocarbon receptor agonist.
Eleutheroside C
Eleutheroside C is a natural product found in Justicia adhatoda, Rubus niveus, and Agave amica with data available.
5,5-Diallylbarbituric acid
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Neocuproine
D064449 - Sequestering Agents > D002614 - Chelating Agents D000970 - Antineoplastic Agents Annotation level-1
D-gluco-3,4,5-Trihydroxy-2,6-dimethoxy-hexanal|O2,O6-dimethyl-D-glucose
3,6-Anhydro-L-galactose-dimethylacetal|3,6-Anhydro-L-galaktose-dimethylacetal
2,3-Di-O-methyl-D-mannopyranose|2,3-di-O-methyl-D-mannose|2,3-di-O-methylmannopyranose|O2,O3-dimethyl-D-mannose
1-Chloro-3-(2-chloropropan-2-yl)-1-methylcyclohexane
2,3-di-O-methyl-D-glucose|2.3-Di-O-methyl-beta-D-glucose|2.3-Di-O-methyl-D-glucose|2.3-Dimethyl-d-glucose|D-gluco-4,5,6-Trihydroxy-2,3-dimethoxy-hexanal|O2,O3-dimethyl-D-glucose
D-galacto-3,5,6-Trihydroxy-2,4-dimethoxy-hexanal|O2,O4-dimethyl-D-galactose
Kynurenine
A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.061 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.060 2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid is an endogenous metabolite. L-Kynurenine is a metabolite of the amino acid L-tryptophan. L-Kynurenine is an aryl hydrocarbon receptor agonist.
L-Kynurenine
A kynurenine that has L configuration. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; YGPSJZOEDVAXAB-QMMMGPOBSA-N_STSL_0006_L-Kynurenine_2000fmol_180416_S2_LC02_MS02_52; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. L-Kynurenine is a metabolite of the amino acid L-tryptophan. L-Kynurenine is an aryl hydrocarbon receptor agonist.
2,5-Dimethoxycinnamic acid
1-(2-Methoxy-3,4-methylenedioxyphenyl)-1-propanone
ETHYL 4-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLATE
Pikamilone
Picamilon is an orally active derivative of γ-aminobutyric acid that has nootropic effect. Picamilon improves the epilepsy model in rats and promotes correction of functional disorders of the pancreas during Alloxan (HY-W017227)-induced diabetes mellitus in rats[1][2][3].
4-(1,3-dioxolan-2-yl)-N-hydroxybenzenecarboximidamide
(2S,3R)-3AMINO-4-CYCLOBUTYL-2-HYDROXYBUTANAMIDE HYDROCHLORIDE
2-Amino-1-hydroxy cyclobutanebutanamide hydrochloride
bendazol
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D007155 - Immunologic Factors > D007369 - Interferon Inducers D002491 - Central Nervous System Agents
2-[(R)-amino(cyclopropyl)methyl]benzonitrile,hydrochloride
2-[(S)-amino(cyclopropyl)methyl]benzonitrile,hydrochloride
3-[(S)-amino(cyclopropyl)methyl]benzonitrile,hydrochloride
4-[(S)-amino(cyclopropyl)methyl]benzonitrile,hydrochloride
[4-(Methoxycarbonyl)-3,5-dimethylphenyl]boronic acid
1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, ethyl ester, (2S)-
2-HYDROXY-5,6,7,8-TETRAHYDRO-[1,6]NAPHTHYRIDINE-3-CARBOXYLIC ACID METHYL ESTER
(5,6-DIMETHYL-THIENO[2,3-D]PYRIMIDIN-4-YL)-HYDRAZINE
(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
1-(2-HYDROXY-ETHOXYMETHYL)-5-TRIFLUOROMETHYL-1H-PYRIMIDINE-2,4-DIONE
1-Acetyl-4-(2-hydroxy-ethyl)piperazine hydrochloride
Ethyl 2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate
8a-(Trifluoromethyl)hexahydropyrrolo[1,2-a]pyrimidin-6(7H)-one
2,5-Methano-5H,9H-pyrimido[2,1-b][1,5,3]dioxazepin-9-one,2,3-dihydro-3-(hydroxymethyl)-8-methyl-, (2R,3R,5R)-
(6-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YL)-ACETIC ACID
5-fluoro-3-((trimethylsilyl)ethynyl)pyridin-2-amine
tert-Butyl 3-aminoazetidine-1-carboxylate hydrochloride
6-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
ETHYL5-OXO-1,2,3,5-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-8-CARBOXYLATE
(E)-3-(4-Amino-3,5-dimethylphenyl)acrylonitrile hydrochloride
6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-3-CARBOXYLIC ACID
2-BENZO[1,3]DIOXOL-5-YL-PROPIONIC ACID METHYL ESTER
4-HYDROXY-2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN-6-CARBOXYLIC ACID
dimethyl bicyclo[2.2.1]hepta-2,5-diene-5,6-dicarboxylate
4-Chloro-2-(2-methyl-2-propanyl)-1H-pyrrolo[2,3-b]pyridine
6-(BENZYLOXY)-9-(1S,3R,4S)-4-(BENZYLOXY)-3-(BENZYOXYMETHYL)-2-METHYLENECYCLOPENTYL)-9H-PURIN-2-AMINE
3-(4-hydroxy-3-methoxyphenyl)-2-methylprop-2-enoic acid
2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionic acid
ethyl 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylate
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Pyrrolo[3,4-b]pyrrole, octahydro-1-(trifluoroacetyl)- (9CI)
[2R,4R,5R]-5-hydroxy-2-phenyl-[1,3]dioxane-4-carbaldehyde
5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)furan-2-carbaldehyde
methyl 6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate
3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-propionic acid
D-kynurenine
A kynurenine that has D configuration. D-kynurenine, a metabolite of D-tryptophan, can serve as the bioprecursor of kynurenic acid (KYNA) and 3-hydroxykynurenine. D-Kynurenine is an agonist for G protein-coupled receptor, GPR109B. D-Kynurenine is a substrate in a fluorometric assay of D-amino acid oxidase. D-kynurenine promotes epithelial-to-mesenchymal transition via activating aryl hydrocarbon receptor (AHR)[1][2][3][4].
1-(2-METHYLAMINOPROPYL)-2-PHENYLADAMANTANEHYDROCHLORIDE
METHYL 2-OXO-5,6,7,8-TETRAHYDRO-2H-CHROMENE-3-CARBOXYLATE
(2R,3S)-3-amino-4-cyclobutyl-2-hydroxybutanamide hydrochloride
2-(2-Fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
1H-Indene-4-carboxylicacid,2,3,5,6,7,7a-hexahydro-7a-methyl-1,5-dioxo-(9CI)
2-Butyl-5,6-dihydro-1H-imidazo[4,5-D]pyridazine-4,7-dione
Monoisopropyl phthalate
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isopropanol.
3-Carboxymethyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
(+/-)-epibatidine
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[(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
102-37-4
Ethyl Caffeate is a natural phenolic compound isolated from Bidens pilosa. Ethyl caffeate suppresses NF-κB activation and its downstream inflammatory mediators, inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2), and prostaglandin E2 (PGE2) in vitro or in mouse skin[1]. Ethyl Caffeate is a natural phenolic compound isolated from Bidens pilosa. Ethyl caffeate suppresses NF-κB activation and its downstream inflammatory mediators, inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2), and prostaglandin E2 (PGE2) in vitro or in mouse skin[1].
AIDS-021439
(E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. (E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1].
2,4-Dihydroxy-3-methyl-6-(2-oxopropyl)benzaldehyde
A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogens at positions 3 and 6 have been replaced by a methyl and 2-oxopropyl groups, respectively.
3,3-Dimethoxy-1-phenylpropane-1,2-dione
An alpha-diketone that is 1-phenyl-1,2-propanedione substituted by two methoxy groups at position 3.
Octylsulfamate
An organic sulfamate oxoanion that is the conjugate base of octylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
(3R,4S)-3-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptane
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1-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
Formyl-5-hydroxykynurenamine
A hydroxykynurenamine that is 5-hydroxykynurenamine with the hydrogen on the aryl amine replaced by a formyl group.
3-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
3-Methyl-6-methoxy-8-hydroxy-3,4-dihydroisocoumarin
3-(3-Methoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol
L-kynurenine zwitterion
Zwitterionic form of L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
methyl (2e)-3-(5-hydroxy-2-methoxyphenyl)prop-2-enoate
(2s,3z,3ar)-2-hydroxy-6a-(hydroxymethyl)-3-(prop-2-en-1-ylidene)-2h,3ah-cyclopenta[b]furan-4-one
(4s)-4,8-dihydroxy-5-methoxy-3,4-dihydro-2h-naphthalen-1-one
(5e)-5-[(2e)-4-hydroxybut-2-en-1-ylidene]-3-[(1z)-3-hydroxyprop-1-en-1-yl]furan-2-one
(5z)-5-[(2e)-4-hydroxybut-2-en-1-ylidene]-3-[(1e)-3-hydroxyprop-1-en-1-yl]furan-2-one
(2s,3s)-3,7-dihydroxy-2,5-dimethyl-2,3-dihydro-1-benzopyran-4-one
(3r,4s)-8-hydroxy-4-methoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
(2r,3r,4s)-2-[(1s)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol
(4r)-4,6,8-trihydroxy-5-methyl-3,4-dihydro-2h-naphthalen-1-one
3,6-dihydroxy-4-methoxy-5-methyl-2,3-dihydroinden-1-one
4-hydroxy-6-[(1e,3e)-5-hydroxypenta-1,3-dien-1-yl]-3-methylpyran-2-one
(2e)-3-(3,4-dihydroxyphenyl)-2-methylbut-2-enoic acid
(1s,6s,12s)-12-hydroxy-8-oxatricyclo[4.3.3.0¹,⁶]dodec-4-ene-3,9-dione
(1r,2r,3r,4r,5r,6s)-4,6-dimethoxycyclohexane-1,2,3,5-tetrol
1-ethyl-α-d-galactoside
{"Ingredient_id": "HBIN002533","Ingredient_name": "1-ethyl-\u03b1-d-galactoside","Alias": "NA","Ingredient_formula": "C8H16O6","Ingredient_Smile": "CCOC1C(C(C(C(O1)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7438","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,6-Di-O-methyl-d-galactopyranose
{"Ingredient_id": "HBIN004940","Ingredient_name": "2,6-Di-O-methyl-d-galactopyranose","Alias": "NA","Ingredient_formula": "C8H16O6","Ingredient_Smile": "COCC1C(C(C(C(O1)O)OC)O)O","Ingredient_weight": "208.21 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41157","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91699070","DrugBank_id": "NA"}
3,4-Dioxymethulene-5methoxy-1-(1-oxopropyl) benzene
{"Ingredient_id": "HBIN007465","Ingredient_name": "3,4-Dioxymethulene-5methoxy-1-(1-oxopropyl) benzene","Alias": "3,4-dioxymethulene-5methoxy-1-(1-oxopropyl)benzene","Ingredient_formula": "C11H12O4","Ingredient_Smile": "Not Available","Ingredient_weight": "208.23","OB_score": "44.66835922","CAS_id": "NA","SymMap_id": "SMIT00897","TCMID_id": "25823","TCMSP_id": "MOL008882","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dioxymethylene-5-methoxy-1-(1-oxo-propyl)benzene
{"Ingredient_id": "HBIN007466","Ingredient_name": "3,4-dioxymethylene-5-methoxy-1-(1-oxo-propyl)benzene","Alias": "NA","Ingredient_formula": "C11H12O4","Ingredient_Smile": "CCC(=O)C1=CC2=C(C(=C1)OC)OCO2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6478","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,6-anhydro-l-galactose dimethyl acetal
{"Ingredient_id": "HBIN007705","Ingredient_name": "3,6-anhydro-l-galactose dimethyl acetal","Alias": "NA","Ingredient_formula": "C8H16O6","Ingredient_Smile": "COC(C(C1C(C(CO1)O)O)O)OC","Ingredient_weight": "208.21 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1269","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "20835708","DrugBank_id": "NA"}
(4r)-5,8-dihydroxy-4-methoxy-α-tetralone
{"Ingredient_id": "HBIN010864","Ingredient_name": "(4r)-5,8-dihydroxy-4-methoxy-\u03b1-tetralone","Alias": "NA","Ingredient_formula": "C11H12O4","Ingredient_Smile": "COC1CCC(=O)C2=C(C=CC(=C12)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6005","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4s)-4,8-dihydroxy-5-methoxy-α-tetralone
{"Ingredient_id": "HBIN010882","Ingredient_name": "(4s)-4,8-dihydroxy-5-methoxy-\u03b1-tetralone","Alias": "NA","Ingredient_formula": "C11H12O4","Ingredient_Smile": "COC1=C2C(CCC(=O)C2=C(C=C1)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6004","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4s)-5,8-dihydroxy-4-methoxy-α-tetralone
{"Ingredient_id": "HBIN010895","Ingredient_name": "(4s)-5,8-dihydroxy-4-methoxy-\u03b1-tetralone","Alias": "NA","Ingredient_formula": "C11H12O4","Ingredient_Smile": "COC1CCC(=O)C2=C(C=CC(=C12)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6006","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
