Exact Mass: 240.09691260000002
Exact Mass Matches: 240.09691260000002
Found 500 metabolites which its exact mass value is equals to given mass value 240.09691260000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cyanazine
C9H13ClN6 (240.08901680000002)
CONFIDENCE standard compound; INTERNAL_ID 46; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7787; ORIGINAL_PRECURSOR_SCAN_NO 7785 CONFIDENCE standard compound; INTERNAL_ID 46; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7685; ORIGINAL_PRECURSOR_SCAN_NO 7683 CONFIDENCE standard compound; INTERNAL_ID 46; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7749; ORIGINAL_PRECURSOR_SCAN_NO 7747 CONFIDENCE standard compound; INTERNAL_ID 46; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7714; ORIGINAL_PRECURSOR_SCAN_NO 7710 CONFIDENCE standard compound; INTERNAL_ID 46; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7777; ORIGINAL_PRECURSOR_SCAN_NO 7774 CONFIDENCE standard compound; INTERNAL_ID 46; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7731; ORIGINAL_PRECURSOR_SCAN_NO 7729 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2759 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Lapachenole
Lapachenole is a member of the class of compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Lapachenole is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Lapachenole can be found in mexican oregano, which makes lapachenole a potential biomarker for the consumption of this food product.
N-Hydroxy phip
C13H12N4O (240.10110619999998)
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Ethyl 3,4,5-trimethoxybenzoate
Ethyl 3,4,5-trimethoxybenzoate is isolated from cashew gum. Ethyl 3,4,5-trimethoxybenzoate is a trihydroxybenzoic acid. Isolated from cashew gum Ethyl 3,4,5-trimethoxybenzoate is a natural compound isolated from the roots of Rauvolfia yunnanensis Tsiang[1].
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)
3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid (CMPF) is also called 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid and 2-(2-carboxyethyl)-4-methyl-4-propylfuran-3-carboxylic acid. CMPF is significantly accumulated in the serum of chronic kidney disease patients and is considered to be a potent uremic toxin (PMID: 8734460) and identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). There are several minor derivatives of CMPF that have been detected in serum and urine including 3-carboxy-4-methyl-5-pentyl-2-furanpropionic acid, 3-carboxy-4-methyl-5-ethyl-2-furanpropionic acid, and 3-carboxy-5-propyl-2-furanpropionic acid. CMPF was first detected in human urine in 1979 (PMID: 12388676) and it is believed to be formed from the consumption of fish, vegetables, and fruits (PMID: 19083276 ; PMID: 12388676). CMPF is a strong inhibitor of mitochondrial respiration and is associated with thyroid dysfunction (PMID: 19083276). CMPF also directly inhibits renal secretion of various drugs and endogenous organic acids by competitively inhibiting OAT3 transporters (PMID: 11967025). It is also thought to contribute to various neurological abnormalities because it inhibits the transport of organic acids at the blood-brain barrier (PMID: 12388676).
1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne
1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne is found in herbs and spices. 1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne is isolated from roots of Tanacetum vulgare (tansy Isolated from roots of Tanacetum vulgare (tansy). 1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne is found in herbs and spices.
(E)-3,5-Dimethoxystilbene
(E)-3,5-Dimethoxystilbene is isolated from wood of Pinus palustris (pitch pine
D-glycero-L-galacto-Octulose
D-Glycero-D-manno-octulose is found in avocado. D-Glycero-D-manno-octulose is present in avocado (Persea gratissima), alfalfa (Medicago sativa), roots of opium poppy (Papaver somniferum
3-(3,4,5-Trimethoxyphenyl)propanoic acid
3-(3,4,5-Trimethoxyphenyl)propanoic acid is found in herbs and spices. 3-(3,4,5-Trimethoxyphenyl)propanoic acid is a constituent of Piper longum (long pepper) and Piper retrofractum (Javanese long pepper) 3-(3,4,5-Trimethoxyphenyl)propanoic acid is found in herbs and spices. 3-(3,4,5-Trimethoxyphenyl)propanoic acid is a constituent of Piper longum (long pepper) and Piper retrofractum (Javanese long pepper). 3-(3,4,5-Trimethoxyphenyl)propanoic acid is found in herbs and spices. 3-(3,4,5-Trimethoxyphenyl)propanoic acid is a constituent of Piper longum (long pepper) and Piper retrofractum (Javanese long pepper).
Phenethyl phenylacetate
Phenethyl phenylacetate is found in linden. Phenethyl phenylacetate is an imitation fruit flavouring ingredien Imitation fruit flavouring ingredient. Phenethyl phenylacetate is found in linden.
Obtustyrene
Obtustyrene is found in common pea. Obtustyrene is a stress metabolite of pe Stress metabolite of pea. Obtustyrene is found in pulses and common pea.
Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4-(2-Amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol
C13H12N4O (240.10110619999998)
benzoylphenylurea
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
Imazodan
C13H12N4O (240.10110619999998)
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
Photoantheole
4,4-dimethoxystilbene is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 4,4-dimethoxystilbene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4,4-dimethoxystilbene can be found in anise, which makes 4,4-dimethoxystilbene a potential biomarker for the consumption of this food product.
Croscarmellose
Food additive. Stabiliser, thickener, moisture control agent, emulsifier. Indirect additive arising by migration from cotton fabrics used in food packaging. Croscarmellose sodium also resolves formulators concerns over long-term functional stability, reduced effectiveness at high tablet hardness levels, and similar problems associated with other products developed to enhance drug dissolution. Croscarmellose sodium is a very commonly used pharmaceutical additive approved by the U.S. Food and Drug Administration (FDA). Its purpose in most tablets - including dietary supplements - is to assist the tablet in disintegrating in the intestinal tract at the required location. If a tablet disintegrating agent is not included, the tablet could disintegrate too slowly, or in the wrong part of the intestine or not at all, thereby reducing the efficacy of the active ingredients.; Croscarmellose sodium is an internally cross-linked sodium carboxymethylcellulose for use as a disintegrant in pharmaceutical formulations. Food additive. Stabiliser, thickener, moisture control agent, emulsifier. Indirect additive arising by migration from cotton fabrics used in food packaging
N1-Cyclohexyl-2-(2-cyanoacetyl)hydrazine-1-carbothioamide
C10H16N4OS (240.10447659999997)
1,6-Dimethoxyphenazine
A member of the class of phenazines that is phenazine substituted by methoxy groups at positions 1 and 6. It is a bacterial metabolite found in Streptomyces thioluteus.
(Z)-5-Ethylidene-3,4,5,6-tetrahydro-trans-6,8-dimethoxy-1H,8H-pyrano<3,4-c>pyran-1-one|(Z)-5-Ethylidene-3,4,5,6-tetrahydro-trans-6,8-dimethoxy-1H,8H-pyrano[3,4-c]pyran-1-one
5-acetonyl-5-sec-butyl-barbituric acid|5-Acetonyl-5-sec-butyl-barbitursaeure
C11H16N2O4 (240.11100159999998)
Picrasidine I
Picrasidine I is a natural product found in Picrasma quassioides with data available.
methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
1-(4,7-dimethoxy-benzo[1,3]dioxol-5-yl)-propan-1-ol|1-hydroxy-3,4-methylenedioxy-2,5-dimethoxy-1-phenylpropane|2.5-Di-Me,3,4-methylene ether-1-(2,3,4,5-Tetrahydroxyphenyl)-1-propanol
1-ethenyl-4-methoxy-9H-pyrido<3,4-b>indol-5-ol|5-hydroxydehydrocrenatine
2,3,6,8-Tetramethyl-dibenzothiophen|2,3,6,8-tetramethyl-dibenzothiophene
erythro-1-(1-methoxy-2-hydroxypropyl)-2-methoxy-4,5-methylene-dioxybenzene|threo-1-(1-methoxy-2-hydroxypropyl)-2-methoxy-4,5-methylene-dioxybenzene
(3S)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)pentanoic acid|(3S)-5-guaiacyl-3-hydroxypentanoic acid|3,4-dihydroxy-3-methoxy-benzenepentanoic acid
1-methyl-7-oxo-6,6a,8,8a-tetrahydro-1H,3H-pyrano[3,4-c]pyran-4-carboxylic acid methyl ester|olenoside A
1-benzyl-beta-D-ribofuranoside|1-O-benzyl-beta-D-ribofuranose|2,3-O-isopropylidene-beta-D-riboside|benzyl beta-D-ribofuranoside|benzyl-beta-D-ribofuranoside
2-Aethylmercapto-1-<4-hydroxy-3-methoxy-phenyl>-propanon-(1)|2-Aethylmercapto-1-oxo-1-<4-hydroxy-3-methoxy-phenyl>-propan|2-Aethylthio-1-(4-hydroxy-3-methoxy-phenyl)-propanon-(1)|2-Aethylthio-1-<4-hydroxy-3-methoxy-phenyl>-propan-1-on|2-Aethylthio-1-<4-hydroxy-3-methoxy-phenyl>-propanon-(1)
D-glycero-D-manno-[2]octulose|Dr-1,3tF,4tF,5cF,6cF,7rF,8-Heptahydroxy-octan-2-on
1-O-Methyl-dehydrologanin-aglucon|1-O-Methyl-dehydrologanin-aglukon
methyl 2-[2,2-dimethyl-6-oxo-7-dihydro-1,3-benzodioxol-3(6H)-yl]acetate
(1S,2R)-2,6-dihydroxy-4-(2-hydroxy-1-methylpropyl)-3-methylbenzoic acid|2,6-Dihydroxy-4-((1S,2R)-2-hydroxy-1-methyl-propyl)-3-methyl-benzoesaeure|2,6-dihydroxy-4-((1S,2R)-2-hydroxy-1-methyl-propyl)-3-methyl-benzoic acid|2.6-Dihydroxy-3-methyl-4-((1S:2R)-2-hydroxy-1-methyl-propyl)-benzoesaeure|Dg-threo-2-(3.5-Dihydroxy-2-methyl-4-carboxy-phenyl)-butanol-(3)|phenol A acid
1-(2-hydroxy-4,6-dimethoxyphenyl)-1-oxo-butan-3-ol
Kumujian A
1-Ethoxycarbonyl-beta-carboline is a natural product found in Picrasma quassioides and Panax ginseng with data available.
2-hydroxy-3-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-5-one
3-(2,4,5-trimethoxyphenyl)propanoic acid [IIN-based: Match]
3-(2,4,5-trimethoxyphenyl)propanoic acid [IIN-based on: CCMSLIB00000846847]
9-Ethyl-3-nitrocarbazole
CONFIDENCE standard compound; INTERNAL_ID 1058; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7748; ORIGINAL_PRECURSOR_SCAN_NO 7746 CONFIDENCE standard compound; INTERNAL_ID 1058; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7749; ORIGINAL_PRECURSOR_SCAN_NO 7747 CONFIDENCE standard compound; INTERNAL_ID 1058; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7807; ORIGINAL_PRECURSOR_SCAN_NO 7805
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid
&beta
3-(3,4,5-Trimethoxyphenyl)propanoic acid is found in herbs and spices. 3-(3,4,5-Trimethoxyphenyl)propanoic acid is a constituent of Piper longum (long pepper) and Piper retrofractum (Javanese long pepper). 3-(3,4,5-Trimethoxyphenyl)propanoic acid is found in herbs and spices. 3-(3,4,5-Trimethoxyphenyl)propanoic acid is a constituent of Piper longum (long pepper) and Piper retrofractum (Javanese long pepper).
Ethyl 3,4,5-trimethoxybenzoate
Ethyl 3,4,5-trimethoxybenzoate is a natural compound isolated from the roots of Rauvolfia yunnanensis Tsiang[1].
Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
5-Hydroxy-4-[3-(2-hydroxy-2-propanyl)-2-oxiranyl]-1-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile
C12H11F3N2 (240.08742819999998)
4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one
3,4-difluorophenylboronic acid pinacol ester
C12H15BF2O2 (240.11331040000002)
5-methylpyrido[4,3-b]indole-3-carbohydrazide
C13H12N4O (240.10110619999998)
Xenbucin
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
diethyl 1-amino-3-methyl-1h-pyrrole-2,4-dicarboxylate
C11H16N2O4 (240.11100159999998)
Benzene,1-methoxy-4-[[(2E)-3-phenyl-2-propen-1-yl]oxy]-
3,6-bis(2-hydroxyethyl)-2-Pyrazinepropanoic acid
C11H16N2O4 (240.11100159999998)
2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
C10H14BClN2O2 (240.08368040000002)
1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one dihydrochloride
3-(2,4-DIOXO-1,3-DIAZASPIRO[4.5]DEC-3-YL)PROPANOIC ACID
C11H16N2O4 (240.11100159999998)
2-(2,6-DIFLUOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C12H15BF2O2 (240.11331040000002)
l-(+)-threo-2-(n,n-dimethylamino)-1-(4-nitrophenyl)-1,3-propanediol
C11H16N2O4 (240.11100159999998)
4,4-Dimethoxystilbene
4,4-dimethoxystilbene is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 4,4-dimethoxystilbene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4,4-dimethoxystilbene can be found in anise, which makes 4,4-dimethoxystilbene a potential biomarker for the consumption of this food product.
2-Bromo-6-methoxyimidazo[1,2-a]pyridine
C11H16N2O4 (240.11100159999998)
3-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine
C10H14BClN2O2 (240.08368040000002)
2-[bis(2-hydroxyethyl)amino]ethanol,propane,titanium
Ethyl 3-(2-fluoro-4-methoxyphenyl)-3-oxopropanoate
2-chloropyrimidine-5-boronic acid pinacol ester
C10H14BClN2O2 (240.08368040000002)
(2,6-DICHLOROPHENYL)METHYLCYANOCARBONIMIDODITHIOATE
3-[tert-butyl(dimethyl)silyl]oxybenzenethiol
C12H20OSSi (240.10040700000002)
4-Methyl-piperidine-1-carboxamidineSulfateorHemisulfate
(4-(ISOPENTYLSULFINYL)PHENYL)BORONIC ACID
C11H17BO3S (240.09914020000002)
1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-OL
C13H12N4O (240.10110619999998)
Pyrrolidine, 1-[[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]acetyl]- (9CI)
C10H16N4OS (240.10447659999997)
2,4-Difluorophenylboronic acid, pinacol ester
C12H15BF2O2 (240.11331040000002)
ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-3-carboxylate
4-(2-Fluorophenyl)-3,4-dihydronaphthalen-1(2H)-one
2-[[4-(chloromethyl)phenyl]methoxy]oxane
C13H17ClO2 (240.09170120000002)
3-THIOPHEN-2-YL-PIPERAZINE-1-CARBOXYLIC ACID ETHYL ESTER
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
TERT-BUTYL 6,7-DIHYDROTHIAZOLO[4,5-C]PYRIDINE-5(4H)-CARBOXYLATE
5-(1H-Indol-2-yl)-3-methoxy-1H-pyrrole-2-carbaldehyde
(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid(SALTDATA: FREE)
C11H16N2O4 (240.11100159999998)
(1R,2R)-(-)-2-BENZYLOXYCYCLOHEXYLAMINE
C11H16N2O4 (240.11100159999998)
(2R,4S)-1-(tert-butoxycarbonyl)-4-cyanopyrrolidine-2-carboxylic acid
C11H16N2O4 (240.11100159999998)
(2R,4R)-1-(tert-butoxycarbonyl)-4-cyanopyrrolidine-2-carboxylic acid
C11H16N2O4 (240.11100159999998)
1-(dimethylamino)-3-(4-nitrophenoxy)propan-2-ol
C11H16N2O4 (240.11100159999998)
3-Methoxythiophene-2-boronic acid pinacol ester
C11H17BO3S (240.09914020000002)
(2S,4S)-1-(tert-butoxycarbonyl)-4-cyanopyrrolidine-2-carboxylic acid
C11H16N2O4 (240.11100159999998)
6-Chloropyrazine-2-boronic acid pinacol ester
C10H14BClN2O2 (240.08368040000002)
2,3-difluorophenylboronic acid pinacol ester
C12H15BF2O2 (240.11331040000002)
2-(3,5-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C12H15BF2O2 (240.11331040000002)
1-(2,3-DIHYDROBENZOFURAN-4-YL)PIPERAZINE HYDROCHLORIDE
4,5-DIMETHOXY-2-(METHOXYCARBONYL)PHENYLBORONIC ACID
C10H13BO6 (240.08051480000003)
1-TRIFLUOROMETHYL-2,3,4,9-TETRAHYDRO-1H-B-CARBOLINE
C12H11F3N2 (240.08742819999998)
(4-fluoro-3-nitrophenyl)carbamic acid tert butyl ester
5,5-dimethyl-1,3-bis(oxiranylmethyl)imidazolidine-2,4-dione
C11H16N2O4 (240.11100159999998)
(5S)-5-[(benzylamino)methyl]-2-pyrrolidinone hydrochloride
4-[(6-Chloro-pyridin-3-ylMethyl)-aMino]-cyclohexanol
3,3,5-Trimethoxy-5-Methyl-2,6-Dioxa-3,5-Disilaheptane
4-METHOXY-A-METHYL-N-(PHENYLMETHYL)BENZENEETHANAMINE
1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid
C11H16N2O4 (240.11100159999998)
4-(5-CHLOROMETHYL-OXAZOLIDIN-2-YL)-PHENYL]-DIMETHYL-AMINE
(4-Acetyl-[1,1-biphenyl]-4-yl)boronic acid
C14H13BO3 (240.09576980000003)
(4-Fluoro-3-((tetrahydro-2H-pyran-2-yl)oxy)phenyl)boronic acid
C11H14BFO4 (240.09691260000002)
2,3,4,5-Tetrahydro-8-(trifluoromethyl)-1H-pyrido[4,3-b]indole
C12H11F3N2 (240.08742819999998)
tert-Butyl 6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate
1-(phenylsulfonyl)-4-piperidinamine(SALTDATA: HCl)
Rolafagrel
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent C471 - Enzyme Inhibitor
(S)-2-Hydrazino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropionic acid
C11H16N2O4 (240.11100159999998)
5-Hydroxy-3-[(1r)-1-(1h-Pyrrol-2-Yl)ethyl]-2h-Indol-2-One
(4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid
A cyclic dicarboxylic anhydride that is furan-2,5-dione substituted by at position 3 by a carboxymethyl group and a hexyl group at position 4.
5-(Dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile
6-(L-erythro-1,2-dihydroxypropyl)-lumazine
C9H12N4O4 (240.08585119999998)
N-(2,5-difluorophenyl)-2-(1-pyrrolidinyl)acetamide
5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium-3,8-diamine
C13H12N4O (240.10110619999998)
(3S,4R,5S,6R,7R)-1,3,4,5,6,7,8-heptahydroxyoctan-2-one
6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
C9H12N4O4 (240.08585119999998)
6-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carboxamide
C13H12N4O (240.10110619999998)
1-(L-norvalin-5-yl)pyrraline
C11H16N2O4 (240.11100159999998)
An N-substituted pyrraline formed via Maillard reaction of L-ornithine with glucose.
Barbituric acid, 5-ethyl-5-(1-methyl-3-oxobutyl)-
C11H16N2O4 (240.11100159999998)
4-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)pentanoic acid
Ethyl 4-[(trimethylsilyl)oxymethyl]phenyl sulfide
C12H20OSSi (240.10040700000002)
4-Cyanomethyl-3-methyl-1-para-tolyl-3-pyrroline-2,5-dione
1-Phenyl-5-methoxybicyclo(3.2.2)nona-3,6-dien-2-one
2-Hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine
C13H12N4O (240.10110619999998)
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid
A furoic acid that is furan-3-carboxylic acid substituted by a methyl group at position 4, a propyl group at position 5 and a 2-carboxyethyl group at position 2. It is a potent uremic toxin that has been found to accumulate in human serum of patients with chronic kidney diseases.
Cyanazine
C9H13ClN6 (240.08901680000002)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
3-(3,4,5-Trimethoxyphenyl)propanoic acid
3-(3,4,5-Trimethoxyphenyl)propanoic acid is found in herbs and spices. 3-(3,4,5-Trimethoxyphenyl)propanoic acid is a constituent of Piper longum (long pepper) and Piper retrofractum (Javanese long pepper). 3-(3,4,5-Trimethoxyphenyl)propanoic acid is found in herbs and spices. 3-(3,4,5-Trimethoxyphenyl)propanoic acid is a constituent of Piper longum (long pepper) and Piper retrofractum (Javanese long pepper).
N-hydroxy-PHIP
C13H12N4O (240.10110619999998)
An imidazopyridine that is 1H--imidazo[4,5-b]pyridine which is substituted at positions 1, 2, and 6 by methyl, hydoxyamino, and phenyl groups, respectively. The active metabolite of the dietary carcinogen PhIP.
4849F
An azaarene that is benzo[c]cinnoline with methoxy substituents at positions 1 and 10. It is isolated from Streptomyces sp. strain 4849 with pharmaceutical potential as an inhibitor of interleukin-4 receptor (IL-4).
KL1333
KL1333, a derivative of β-lapachone, is an orally available NAD+ modulator. KL1333 reacts with NAD(P)H:quinone oxidoreductase 1 (NQO1) as a substrate, resulting in increases in intracellular NAD+ levels via NADH oxidation. KL1333 improves energy metabolism and mitochondrial dysfunction in MELAS fibroblasts. KL1333 protects against Cisplatin-induced ototoxicity in mouse cochlear cultures[1][2].
Nebracetam (hydrochloride)
Nebracetam hydrochloride, a nootropic M1-muscarinic agonist, induces a rise of intracellular Ca2+ concentration. Nebracetam hydrochloride exhibits an EC50 of 1.59 mM for elevating [Ca2+]i[1].
(5z,6s,8r)-5-ethylidene-6,8-dimethoxy-3h,4h,6h,8h-pyrano[3,4-c]pyran-1-one
7,8-dihydroxy-3-propyl-4,6,7,8-tetrahydro-3h-2-benzopyran-1,5-dione
10,11-dihydroxy-3,9-dimethyl-1-oxaspiro[5.5]undec-8-ene-2,7-dione
(3z,5r,6e,8s,10r)-8-hydroxy-10-methyl-2-oxo-5,8,9,10-tetrahydrooxecin-5-yl acetate
(5e)-2-imino-5-(1h-indol-3-ylmethylidene)-3-methylimidazolidin-4-one
C13H12N4O (240.10110619999998)
4-[(2e)-2-[(4-hydroxyphenyl)methylidene]hydrazin-1-yl]benzaldehyde
2-(dimethylamino)-5-(1h-indol-3-yl)imidazol-4-one
C13H12N4O (240.10110619999998)
4-{2-[(4-hydroxyphenyl)methylidene]hydrazin-1-yl}benzaldehyde
(5s,7r,8s)-4,7-dimethoxy-7,8-dimethyl-9-methylidene-1,6-dioxaspiro[4.4]non-3-en-2-one
5-{6-hydroxy-3-oxo-hexahydrocyclopenta[c]furan-1-yl}pent-4-enoic acid
8-hydroxy-4-methoxy-7-propyl-5h,7h,8h-pyrano[3,2-c]pyran-2-one
(3r)-3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)butan-1-one
4,7-dimethoxy-7,8-dimethyl-5h,8h-pyrano[3,2-c]pyran-2-one
(2s)-2,3-dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl acetate
4,5,6,7-tetrahydro-6,7-dihydroxy-3-(2-hydroxybutylidene)-1(3h)-isobenzofuranone; (6rs,7rs,9rs)-form
{"Ingredient_id": "HBIN009976","Ingredient_name": "4,5,6,7-tetrahydro-6,7-dihydroxy-3-(2-hydroxybutylidene)-1(3h)-isobenzofuranone; (6rs,7rs,9rs)-form","Alias": "NA","Ingredient_formula": "C12H16O5","Ingredient_Smile": "NA","Ingredient_weight": "240.25","OB_score": "NA","CAS_id": "172723-28-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7927","PubChem_id": "NA","DrugBank_id": "NA"}
4,5,6,7-tetrahydro-6,7-dihydroxy-3-(2-hydroxybutylidene)-1(3h)-isobenzofuranone; (6rs,7rs,9sr)-form
{"Ingredient_id": "HBIN009977","Ingredient_name": "4,5,6,7-tetrahydro-6,7-dihydroxy-3-(2-hydroxybutylidene)-1(3h)-isobenzofuranone; (6rs,7rs,9sr)-form","Alias": "NA","Ingredient_formula": "C12H16O5","Ingredient_Smile": "NA","Ingredient_weight": "240.25","OB_score": "NA","CAS_id": "172549-37-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7926","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,3s,4s,5r,6r)-2-methyl-6-phenoxyoxane-3,4,5-triol
2,6-dihydroxy-4-[(2s,3r)-3-hydroxybutan-2-yl]-3-methylbenzoic acid
methyl (1r,3r,6s,7s,8s,10r)-10-hydroxy-1,6-dimethyl-2,9-dioxatricyclo[5.2.1.0³,⁸]dec-4-ene-7-carboxylate
1-[2-hydroxy-3-(2-hydroxyethyl)-4,6-dimethoxyphenyl]ethanone
(3s,4r)-3,8-dimethoxy-3-methyl-1,4-dihydro-2-benzopyran-4,6-diol
4-{[(3s,5r)-5-(2-hydroxypropan-2-yl)-2-oxooxolan-3-yl]methyl}-5h-furan-2-one
8-hydroxy-10-methyl-2-oxo-5,8,9,10-tetrahydrooxecin-5-yl acetate
7-(2-hydroxypropyl)-4-methoxy-5h,7h,8h-pyrano[3,2-c]pyran-2-one
6,7-dimethoxy-3-methyl-3,4-dihydro-1h-2-benzopyran-4,8-diol
(7r,8s)-4,7-dimethoxy-7,8-dimethyl-5h,8h-pyrano[3,2-c]pyran-2-one
1-{2-hydroxy-4-[(2-methoxyethoxy)methoxy]phenyl}ethanone
(2r,4s,5e,7r,8z)-7-hydroxy-2-methyl-10-oxo-2,3,4,7-tetrahydrooxecin-4-yl acetate
1-[(2r,3r,5z)-3-hydroxy-5-(hydroxyimino)oxan-2-yl]-4-iminopyrimidin-2-ol
C9H12N4O4 (240.08585119999998)
(4e)-5-[(1s,3as,6r,6as)-6-hydroxy-3-oxo-hexahydrocyclopenta[c]furan-1-yl]pent-4-enoic acid
5-(3-hydroxybutan-2-yl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
methyl 10-hydroxy-1,6-dimethyl-2,9-dioxatricyclo[5.2.1.0³,⁸]dec-4-ene-7-carboxylate
methyl 2-(2,2-dimethyl-6-oxo-7,7a-dihydro-1,3-benzodioxol-3a-yl)acetate
(5z,6r,8s)-5-ethylidene-6,8-dimethoxy-3h,4h,6h,8h-pyrano[3,4-c]pyran-1-one
2,6-dihydroxy-10-propyl-4,9-dioxatricyclo[5.4.0.0³,⁵]undec-1(7)-en-8-one
7-hydroxy-2-methyl-10-oxo-2,3,4,7-tetrahydrooxecin-4-yl acetate
2,6-dihydroxy-4-[(2r,3r)-3-hydroxybutan-2-yl]-3-methylbenzoic acid
(2s,3r,4s,5s,6r)-2-[(1r)-1,2-dihydroxyethyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
(4z)-5-[(1s,3as,6r,6as)-6-hydroxy-3-oxo-hexahydrocyclopenta[c]furan-1-yl]pent-4-enoic acid
methyl (1r,3r,6s,7s,8s)-10-hydroxy-1,6-dimethyl-2,9-dioxatricyclo[5.2.1.0³,⁸]dec-4-ene-7-carboxylate
(2s,3r,5s,6r,10r)-2,6-dihydroxy-10-propyl-4,9-dioxatricyclo[5.4.0.0³,⁵]undec-1(7)-en-8-one
(3s,5s,6r,8r,10s)-6,8-dihydroxy-10-propyl-4,9-dioxatricyclo[5.4.0.0³,⁵]undec-1(7)-en-2-one
(3as)-1h,2h,3h,3ah,4h-pyrrolizino[1,2-b]quinoline-9,10-dione
(7s)-7-[(2s)-2-hydroxypropyl]-4-methoxy-5h,7h,8h-pyrano[3,2-c]pyran-2-one
1-[3-hydroxy-5-(hydroxyimino)oxan-2-yl]-4-iminopyrimidin-2-ol
C9H12N4O4 (240.08585119999998)
(7s,8r)-8-hydroxy-4-methoxy-7-propyl-5h,7h,8h-pyrano[3,2-c]pyran-2-one
5-hydroxy-4-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-1-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
(7s)-7-[(2r)-2-hydroxypropyl]-4-methoxy-5h,7h,8h-pyrano[3,2-c]pyran-2-one
(3r,4s)-3,8-dimethoxy-3-methyl-1,4-dihydro-2-benzopyran-4,6-diol
(1r,5r,6r)-5-hydroxy-4-[(2r,3s)-3-(2-hydroxypropan-2-yl)oxiran-2-yl]-1-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
4-{[(3r,5r)-5-(2-hydroxypropan-2-yl)-2-oxooxolan-3-yl]methyl}-5h-furan-2-one
(3z,5r,6e,8r,10s)-8-hydroxy-10-methyl-2-oxo-5,8,9,10-tetrahydrooxecin-5-yl acetate
2,3-dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl acetate
methyl 2-[(3as,7ar)-2,2-dimethyl-6-oxo-7,7a-dihydro-1,3-benzodioxol-3a-yl]acetate
(3s,7r,8r)-7,8-dihydroxy-3-propyl-4,6,7,8-tetrahydro-3h-2-benzopyran-1,5-dione
(1r,2s)-2-(acetyloxy)-5-oxo-3-propylcyclopent-3-en-1-yl acetate
(3z,6r,7r)-6,7-dihydroxy-3-[(2r)-2-hydroxybutylidene]-4,5,6,7-tetrahydro-2-benzofuran-1-one
10-hydroxy-1h,2h,11h,11ah-pyrrolizino[3,2-b]quinolin-3-one
1-[2,4-dihydroxy-6-(4-hydroxybutoxy)phenyl]ethanone
2,6-dihydroxy-4-(3-hydroxybutan-2-yl)-3-methylbenzoic acid
(2s,3r)-3-(4-methoxy-6-oxopyran-2-yl)butan-2-yl acetate
(3r,4s,5s,6s,7s)-1,3,4,5,6,7,8-heptahydroxyoctan-2-one
(2s,3s,4s)-3,4-dihydroxy-2-methyl-7-propyl-2h,3h,4h-pyrano[4,3-b]pyran-5-one
(7r,8s)-8-hydroxy-4-methoxy-7-propyl-5h,7h,8h-pyrano[3,2-c]pyran-2-one
methyl 4-(4-methoxy-2-methyl-6-oxopyran-3-yl)butanoate
(5r,7s)-5-hydroxy-4-methoxy-7-propyl-5h,7h,8h-pyrano[3,2-c]pyran-2-one
4-methoxy-5-(3-methoxybutanoyl)-6-methylpyran-2-one
(2r,4r,5s,6r,7r)-1,2,4,5,6,7,8-heptahydroxyoctan-3-one
(5z,6r,8r)-5-ethylidene-6,8-dimethoxy-3h,4h,6h,8h-pyrano[3,4-c]pyran-1-one
methyl 2,5-dihydroxy-4-isopropyl-3-methoxybenzoate
2-imino-5-(1h-indol-3-ylmethylidene)-3-methylimidazolidin-4-one
C13H12N4O (240.10110619999998)