Exact Mass: 252.1445
Exact Mass Matches: 252.1445
Found 500 metabolites which its exact mass value is equals to given mass value 252.1445,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Hexazinone
CONFIDENCE standard compound; INTERNAL_ID 577; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8039; ORIGINAL_PRECURSOR_SCAN_NO 8038 CONFIDENCE standard compound; INTERNAL_ID 577; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8007; ORIGINAL_PRECURSOR_SCAN_NO 8006 CONFIDENCE standard compound; INTERNAL_ID 577; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8045; ORIGINAL_PRECURSOR_SCAN_NO 8040 CONFIDENCE standard compound; INTERNAL_ID 577; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7989; ORIGINAL_PRECURSOR_SCAN_NO 7987 CONFIDENCE standard compound; INTERNAL_ID 577; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8047; ORIGINAL_PRECURSOR_SCAN_NO 8045 CONFIDENCE standard compound; INTERNAL_ID 577; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7963; ORIGINAL_PRECURSOR_SCAN_NO 7962 EAWAG_UCHEM_ID 256; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 256 CONFIDENCE standard compound; INTERNAL_ID 8356 CONFIDENCE standard compound; INTERNAL_ID 8474 CONFIDENCE standard compound; INTERNAL_ID 2602 D010575 - Pesticides > D006540 - Herbicides KEIO_ID V020; [MS2] KO009309 D016573 - Agrochemicals KEIO_ID V020
Juvenile hormone III acid
A member of the juvenile hormone family of compounds obtained by formal hydrolysis of the methyl ester group of juvenile hormone III.
Zedoarondiol
1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-one is a sesquiterpenoid. Zedoarondiol is a natural product found in Curcuma aeruginosa, Curcuma aromatica, and other organisms with data available. Zedoarondiol is found in turmeric. Zedoarondiol is a constituent of Curcuma zedoaria (zedoary) Constituent of Curcuma zedoaria (zedoary). Zedoarondiol is found in turmeric.
6alpha-Carissanol
6beta-6,11-Dihydroxy-4-eudesmen-3-one is found in fruits. 6beta-6,11-Dihydroxy-4-eudesmen-3-one is from Carissa edulis (agam From Carissa edulis (agam). 6beta-6,11-Dihydroxy-4-eudesmen-3-one is found in fruits.
3(4->5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol
3(4->5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol is found in root vegetables. 3(4->5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol is a constituent of Cyperus rotundus (nutgrass)
2,3-Butanediol glucoside
2,3-Butanediol glucoside is found in herbs and spices. 2,3-Butanediol glucoside is a constituent of fennel (Foeniculum vulgare). Constituent of fennel (Foeniculum vulgare). 2,3-Butanediol glucoside is found in herbs and spices.
Epioxylubimin
Oxylubimin is found in potato. Oxylubimin is isolated from potato tubers infected with Phytophthora infestans. Isolated from potato tubers infected with Phytophthora infestans. Epioxylubimin is found in potato.
Bisacurone B
Bisacurone A is found in beverages. Bisacurone A is a constituent of Curcuma xanthorrhiza (Java turmeric).
(4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one
(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one is found in potato. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one is a constituent of potatoes infected with Phoma exigua.
Dihydromyoporone
Dihydromyoporone is found in root vegetables. Dihydromyoporone is a stress metabolite of sweet potato (Ipomoea batatas Stress metabolite of sweet potato (Ipomoea batatas). Dihydromyoporone is found in sweet potato and root vegetables.
Acorusdiol
Constituent of Acorus calamus (sweet flag). Acorusdiol is found in herbs and spices and root vegetables. Acorusdiol is found in herbs and spices. Acorusdiol is a constituent of Acorus calamus (sweet flag)
2,3-Dihydroabscisic alcohol
2,3-Dihydroabscisic alcohol is found in fruits. 2,3-Dihydroabscisic alcohol is a constituent of starfruit Averrhoa carambola. Constituent of starfruit Averrhoa carambola. 2,3-Dihydroabscisic alcohol is found in fruits.
Apotrichodiol
Apotrichodiol is a mycotoxin of Fusarium culmorum, Fusarium sambucinum and Fusarium crookwellense. Mycotoxin production by Fusarium sambucinum
Urodiolenone
Urodiolenone is found in citrus. Urodiolenone is found in grapefruit. Found in grapefruit
alpha-Carissanol
alpha-Carissanol is found in fruits. alpha-Carissanol is a constituent of Carissa edulis (agam) Constituent of Carissa edulis (agam). alpha-Carissanol is found in fruits.
1-Hydroxyepiacorone
1-Hydroxyepiacorone is found in herbs and spices. 1-Hydroxyepiacorone is a constituent of Acorus calamus (sweet flag)
Hydroxypelenolide
Hydroxypelenolide is found in alcoholic beverages. Hydroxypelenolide is a constituent of Artemisia absinthium (wormwood). Constituent of Artemisia absinthium (wormwood). Hydroxypelenolide is found in alcoholic beverages and herbs and spices.
3alpha-Hydroxyoreadone
3alpha-Hydroxyoreadone is found in mushrooms. 3alpha-Hydroxyoreadone is a metabolite of Marasmius oreades (fairy ring mushroom Metabolite of Marasmius oreades (fairy ring mushroom). 3alpha-Hydroxyoreadone is found in mushrooms.
Prolyl-Histidine
Prolyl-Histidine is a dipeptide composed of proline and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Talbutal
Talbutal is only found in individuals that have used or taken this drug. It is a barbiturate with a short to intermediate duration of action. Talbutal is a schedule III drug in the U.S.Talbutal binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged.
Histidylproline
Histidylproline is a dipeptide composed of histidine and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione
2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione is found in tea. 2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione is a constituent of the essential oil of Leptospermum scoparium (red tea). Constituent of the essential oil of Leptospermum scoparium (red tea). 2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione is found in tea.
QH(2)
Qh(2) is part of the Oxidative phosphorylation, Cardiac muscle contraction, Alzheimers disease, Parkinsons disease, and Huntingtons disease pathways. It is a substrate for: Cytochrome b-c1 complex subunit Rieske, mitochondrial.
3-Methyl-5-pentyl-2-furanpentanoic acid
3-Methyl-5-pentyl-2-furanpentanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3-Methyl-5-pentyl-2-furanpentanoic acid, in particular, can be described by the shorthand notation 5M5. This refers to its 5-carbon carboxyalkyl moiety, the methyl substitution in the 3-position of its furan moiety, and its 5-carbon alkyl moiety. It has been identified in fish oil.
3-Methyl-5-propyl-2-furanheptanoic acid
3-Methyl-5-propyl-2-furanheptanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3-Methyl-5-propyl-2-furanheptanoic acid, in particular, can be described by the shorthand notation 7M3. This refers to its 7-carbon carboxyalkyl moiety, the methyl substitution in the 3-position of its furan moiety, and its 3-carbon alkyl moiety.
1-(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1h-pyrrole-2,5-dione
Phytuberol
Phytuberol is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Phytuberol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Phytuberol can be found in potato, which makes phytuberol a potential biomarker for the consumption of this food product.
Sch 642305
A macrocyclic lactone isolated from the fermentation broth of the fungal culture Penicillium verrucosum and has been shown to exhibit inhibitory activity against bacterial DNA primase enzyme.
Punctaporonin B
(5alpha,8beta,10alpha)-9(12)-Capnellene-5,8,10-triol
3,4,4a,5,6,7-Hexahydro-3-hydroxy-4-(1-hydroxy-1-methylethyl)-4a,5-dimethylnaphthalen-1(2H)-one
8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Jasomontanone
3-Hydroxy-12,8-eudesmanolide
[1S-(1a,2b,5a,6a)]-4,7,7-trimethylbicyclo[3.1.1]hept-3-ene-2,6-diol diacetate
Toxin FS 2
Isotrichodiol
1-Ethoxy-6-hydroxy-8-methoxy-3,5-dimethylisochroman
2,10-Dihydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one
Trichodiol A
[2R-[2alpha(2R*,4E),5beta]]-2-(5-Ethenyltetrahydro-5-methyl-2-furanyl)-6-hydroxy-6-methyl-4-hepten-3-one
Spiro[tricyclo[4.4.0.0(5,9)]decane-10,2-oxirane], 1-methyl-4-isopropyl-7,8-dihydroxy-, (8S)-
Aspergillide C
A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadeca-9,12-dien-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1S,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210).
1-Methyl-2-benzyl-1,2,3,4-tetrahydroquinazoline-4-one
Frequentin
An antibiotic produced by Penicillium frequentans Westling. CONFIDENCE isolated standard
3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1055
(2R,5R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydro-5-hydroxy-8,8a-dimethyl-3-oxonaphthalene-2-yl acetate
5-(2-hydroxyethyl)-2-hydroxymethyl--2,5-dimethyl-indan-4,7-diol|russujaponol L
rel-(1R,2S,3R)-2,3-dihydro-5-(2-hydroxymethyl)-6-(hydroxymethyl)-2,4-dimethyl-1H-indene-1,3-diol|semipterosin A
(3E,5S,6E,8S,9E,14R)-5,8-dihydroxy-14-methyloxacyclotetradeca-3,6,9-trien-2-one|mutolide
5-hydroxy-2,2,6,6-tetramethyl-4-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione
2-<2-Hydroxy-1,1-bis(hydroxymethyl)ethyl>-5,5-bis(hydroxymethyl)-1,3-dioxan
(+)-5-chloro-7,11-helianane|(S)-(+)-5-chloro-7,11-helianane|(S)-5-chloro-7,11-helianane
2-(3-chloro-1 ,3-dimethylcyclohexyl)-5-methylphenol
(2-acetoxy)-6-hept-4-enyl-5,6-dihydro-2-H-pyran-2-one
(3Z, 6S, 7S, 8Z, 12Z)-7-Chloro-3, 9, 12-pentadecatrien-1-yn-6-ol
(R,E)-1-(4-(3-hydroxyprop-1-enyl)phenoxy)-3-methylbutane-2,3-diol
4beta-hydroxy-9beta-acetoxy-11,12,13-trinor-5-eudesmen-7-one
1beta-hydroxy-4-oxo-11betaH-4-noreudesman-6,12-olide
(3aR,5aR,7S,9aS,9bR)-3a,5a,6,7,8,9,9a,9b-octahydro-3a-hydroxy-7-(hydroxymethyl)-9b-methylnaphtho[1,2-c]furan-1(3H)-one|oblongolide E
3-Aethyl-6-(4-hydroxy-benzyl)-piperazin-2,5-diol|3-ethyl-6-(4-hydroxy-benzyl)-piperazine-2,5-diol
1-methylene-19-nor-dasycarpidane|12-ethyl-6-methylene-2,3,4,5,6,7-hexahydro-1H-1,5-methano-azocino[4,3-b]indole|Des-N-Methyl-ulein
(3aR,5aR,7R,9aS,9bR)-3a,5a,6,7,8,9,9a,9b-octahydro-3a,7-dihydroxy-7,9b-dimethylnaphtho[1,2-c]furan-1(3H)-one|oblongolide B
2,6-Dimethyl-3-O-methyl-4-(2-methylbutyryl)phloroglucinol
1-(2-Hydroxy-3,5-dimethyl-4,6-dimethoxyphenyl)-2-methyl-1-propanone
8,9-epoxy-11-nor-7-driman-12-oic acid|nebularic acid B
4-chloro-1-(2-hydroxy-4-methylphenyl)-1 ,3-dimethylcyclohexane
4-(4-Methyl-pent-3-enyl)-cyclohex-4-ene-1,2-dicarboxylic acid
C14H20O4_(8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione
(8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione
(8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione_major
(8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione_minor
(8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione_48.9\\%
His-pro
A dipeptide formed from L-histidine and L-proline residues.
2-Butanoyl-4,4,6,6-tetramethyl-1,3,5-cyclohexanetrione
3a-Hydroxyoreadone
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol
tert-butyl 3-(2-cyanoacetyl)piperidine-1-carboxylate
2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE
4-(4-Methoxy-phenyl)-2,3-dihydro-1H-benzo[b][1,4]diazepine
tert-butyl 3-amino-6-ethyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate
4-(Methoxycarbonyl)furan-2-boronic acid pinacol ester
ethyl 2-(2-butyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetate
(5-(((TERT-BUTOXYCARBONYL)AMINO)METHYL)PYRIDIN-3-YL)BORONIC ACID
1-(3-CHLORO-PHENYL)-3-PYRROLIDIN-1-YL-PROPYL]-METHYL-AMINE
1-(4-CHLORO-PHENYL)-3-PYRROLIDIN-1-YL-PROPYL]-METHYL-AMINE
1-(2-CHLORO-PHENYL)-3-PYRROLIDIN-1-YL-PROPYL]-METHYL-AMINE
1-[2-AMINO-1-(3-FLUORO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
1-[2-AMINO-1-(4-FLUORO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
2-Fluoro-4-Methoxyphenylboronic acid pinacol ester
N-(2-methoxyethyl)-3-methyl-4-nitro-N-propylaniline
(2S,3S)-1-(2-METHYLAMINO-2-PHENYL-ETHYL)-PYRROLIDIN-3-OL
2-(2-CYANO-ACETYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(3-fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(2S,4R)-1-BOC-2-hydroxyMethyl-4-amino Pyrrolidine-HCl
(2S,4S)-1-BOC-2-hydroxyMethyl-4-amino Pyrrolidine-HCl
4H-1-Benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-phenyl-
1-[2-(4-amino-2-methoxyphenoxy)ethyl]pyrrolidin-3-ol
3-FURAN-2-YL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetic acid
tert-Butyl ((3R,5S)-5-(hydroxymethyl)pyrrolidin-3-yl)carbamate hydrochloride
Methyl 3-fluoro-4-(4-methyl-1-piperazinyl)benzoate
methyl 3,3,3-trideuterio-2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(trideuteriomethyl)propanoate
(2-((TERT-BUTYLDIMETHYLSILYL)OXY)PHENYL)BORONIC ACID
3-Amino-4-fluoro-1-piperidinecarboxylic acid benzyl ester
4-(3-methoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepine
4-(2-methoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepine
3-AMINO-3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-PROPIONIC ACID
2-(4-Dimethylamino-phenyl)-1H-benzoimidazol-5-yl-amine
6-(4-methylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
N-[3-(dimethoxymethyl)pyridin-2-yl]-2,2-dimethylpropanamide
butyl prop-2-enoate,prop-2-enamide,prop-2-enenitrile
N-(3-DIMETHOXYMETHYL-PYRIDIN-4-YL)-2,2-DIMETHYL-PROPIONAMIDE
N-(5-DIMETHOXYMETHYL-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE
1-[2-HYDROXY-6-(2-HYDROXYPROPOXY)-3-PROPYLPHENYL]ETHAN-1-ONE
2-(2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-ETHOXY-4-(2-HYDROXY-1,1-DIMETHYL-ETHYL)-BENZOIC ACID METHYL ESTER
4-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine
2-(3,4-Dimethoxyphenyl)-3-methyl-buttersaeuremethylester
6-(1,2,4-triazol-1-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazole
2-(4-Fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
7-BENZYL-5,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
Tert-butyl N-[(4-Methoxyphenyl)MethylaMino]carbaMate
tert-butyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
2-(2-Fluoro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
3-(Dimethylamino)-3-ethoxy-N,N-diethyl-2,2-difluoropropanamide
(R)-2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethan-1-ol
(2-fluoro-4-((4-Methylpiperazin-1-yl)Methyl)phenyl)boronic acid
2-(4-ETHYL-PHENYL)-6-METHYL-2H-BENZOTRIAZOL-5-YLAMINE
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 8-oxo-, methyl ester
1-(2-Methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
2-Fluoro-3-methoxyphenylboronic acid pinacol ester
5,6-DIMETHYL-7-(4-METHYLPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
2-(4-AMINO-1-(4-FLUOROPHENYL)PIPERIDIN-4-YL)ACETIC ACID
2,3-Dimethoxy-5-methyl-6-(3-methylbut-2-enyl)benzene-1,4-diol
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(4S,8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione
4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 1,6,7,8,9,9a-hexahydro-1,6-dimethyl-4-oxo-, ethyl ester
Hydrocinnamic acid, p-(trimethylsiloxy)-, methyl ester
(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbaldehyde
[(1S)-1-[[(2S)-2-amino-4-methylpentanoyl]amino]ethyl]-methoxyphosphinic acid
(2R,3R,4S)-2-({[(1R)-2-Hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)propanamide
(2R,3R,4S)-2-({[(1S)-2-Hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
9-Phenyl-1,5,6,7,8,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazoline
N-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide
(1S,2R)-4-(4-methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid
13,15-Dimethyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,8,10,12,14-hexaene
6-(cyclohexylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
(4R)-4,8-dimethylnonyl hydrogen sulfate
An alkyl sulfate that is the sulfuric ester of (4R)-4,8-dimethylnonan-1-ol.
(5S)-5-propan-2-yl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(5R)-5-propan-2-yl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(7S)-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
4-Methoxyphenylpropionic acid trimethylsilyl ester
2-Methoxyphenylpropionic acid, trimethylsilyl ester
5-(butan-2-yl)-1,3-dimethyl-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione
His-Pro zwitterion
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of His-Pro. Major species at pH 7.3.
(2r,5r,8s,8ar)-5-hydroxy-8,8a-dimethyl-3-oxo-1,2,5,6,7,8-hexahydronaphthalen-2-yl acetate
(8s,8ar)-3-[(2r)-butan-2-yl]-8,8a-dihydroxy-4-methyl-7,8-dihydro-1h-isochromen-6-one
(3s,3ar,5ar,7s,9as,9br)-3,3a-dihydroxy-7,9b-dimethyl-3h,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
4,4,7a-trimethyl-2-oxo-hexahydronaphtho[1,2-b]oxirene-1a-carboxylic acid
(2s)-5-methoxy-4,6,6-trimethyl-2-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione
10-hydroxy-14-methyl-1-oxacyclotetradeca-6,8-diene-2,5-dione
8-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-dien-3-one
3-(hepta-1,3,5-trien-1-yl)-5,6-dihydroxy-2-(hydroxymethyl)cyclohexan-1-one
1-acetyl-1,7-dihydroxy-4,4-dimethylspiro[4.5]dec-6-en-8-one
(2s)-5-(2-hydroxyethyl)-2-(hydroxymethyl)-2,6-dimethyl-1,3-dihydroindene-4,7-diol
4-hydroxy-3-methyl-6-(5-methyl-6-oxoheptyl)pyran-2-one
(3e,5s,6e,8s,9e,14r)-5,8-dihydroxy-14-methyl-1-oxacyclotetradeca-3,6,9-trien-2-one
3-[(1r,2r,6s,8ar)-6-hydroxy-2-methyl-3-oxo-2,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]propanoic acid
(3e,5s,6z,8e,10r,14s)-5,10-dihydroxy-14-methyl-1-oxacyclotetradeca-3,6,8-trien-2-one
3-(hepta-1,3-dien-1-yl)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadeca-9,12-dien-3-one
(6s)-8-chloro-2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine
(3s)-1-ethoxy-8-methoxy-3,5-dimethyl-3,4-dihydro-1h-2-benzopyran-6-ol
(2r)-5-methoxy-4,6,6-trimethyl-2-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione
1-ethoxy-8-methoxy-3,5-dimethyl-3,4-dihydro-1h-2-benzopyran-6-ol
(1s,5s)-1-acetyl-1,7-dihydroxy-4,4-dimethylspiro[4.5]dec-6-en-8-one
(2r,3as,5r)-3a-hydroxy-2-(2-hydroxypropan-2-yl)-5-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1-benzofuran-6-one
(2r,3ar,5s)-3a-hydroxy-2-(2-hydroxypropan-2-yl)-5-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1-benzofuran-6-one
(4s,5r,6r)-6-hydroxy-5-(2-hydroxypropanoyl)-4-[(1e)-pent-1-en-1-yl]cyclohex-2-en-1-one
3-(4-hydroxyphenyl)propionyl choline
{"Ingredient_id": "HBIN007486","Ingredient_name": "3-(4-hydroxyphenyl)propionyl choline","Alias": "NA","Ingredient_formula": "C14H22NO3+","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10637","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
[3]-gingerol
{"Ingredient_id": "HBIN008571","Ingredient_name": "[3]-gingerol","Alias": "NA","Ingredient_formula": "C14H20O4","Ingredient_Smile": "CCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O","Ingredient_weight": "252.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "19288","PubChem_id": "71103175","DrugBank_id": "NA"}
