Exact Mass: 240.0938952
Exact Mass Matches: 240.0938952
Found 500 metabolites which its exact mass value is equals to given mass value 240.0938952,
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
UNII:5K6L8O868Y
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.976 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.978 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.974 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.973 4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1]. 4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1]. 4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1].
6-Hydroxyflavanone
A monohydroxyflavanone that is flavanone substituted by a hydroxy group at position 6. Annotation level-1
Chrysophanol-9-anthrone
Chrysophanol-9-anthrone, also known as chrysarobin or chrysothrone, is a member of the class of compounds known as anthracenes. Anthracenes are organic compounds containing a system of three linearly fused benzene rings. Thus, chrysophanol-9-anthrone is considered to be an aromatic polyketide lipid molecule. Chrysophanol-9-anthrone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Chrysophanol-9-anthrone can be found in sorrel, which makes chrysophanol-9-anthrone a potential biomarker for the consumption of this food product. C254 - Anti-Infective Agent > C514 - Antifungal Agent
Acetylatractylodinol
Acetylatractylodinol, isolated from Atractylodes lancea, possesses antioxidant activity[1]. Acetylatractylodinol is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. Acetylatractylodinol, isolated from Atractylodes lancea, possesses antioxidant activity[1]. Acetylatractylodinol is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
N-Hydroxy phip
C13H12N4O (240.10110619999998)
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
4'-Hydroxyflavanone
4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1]. 4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1]. 4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1].
o-Hydroxydibenzoylmethane
Origin: Plant, Dibenzoylmethanes
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).
2',5'-Dihydroxychalcone
2,5-Dihydroxychalcone is an antioxidant for edible oils and fat
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).
2,4-Dihydroxychalcone
2,4-Dihydroxychalcone is found in fruits. 2,4-Dihydroxychalcone is a constituent of the fruit of Litchi chinensis (lychee). Constituent of the fruit of Litchi chinensis (lychee). 2,4-Dihydroxychalcone is found in fruits.
Lettucenin A
Phytoalexin from Lactuca sativa variety capitata (head lettuce). Lettucenin A is found in lettuce and romaine lettuce. Lettucenin A is found in lettuce. Phytoalexin from Lactuca sativa var. capitata (head lettuce).
3',4'-Dihydroxychalcone
3,4-Dihydroxychalcone is an antioxidant for edible oils and fat
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
Idronoxil
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor
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
2,4-Dihydroxychalcone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.137 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.136 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.140
N1-Cyclohexyl-2-(2-cyanoacetyl)hydrazine-1-carbothioamide
C10H16N4OS (240.10447659999997)
1-(2-Hydroxy-phenyl)-3-phenyl-propan-1,2-dion|1-(2-hydroxy-phenyl)-3-phenyl-propane-1,2-dione|1-(2-hydroxyphenyl)-3-phenylpropane-1,2-dione|2,beta-dihydroxychalcone
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
Picrasidine I
Picrasidine I is a natural product found in Picrasma quassioides with data available.
1-Ac-(Z)-7-(3-Hydroxyphenyl)-2-phenyl-4,6-diyn-1-ol|cis-7-(m-Hydroxy-phenyl)-hepten-(2)-diin-(4,6)-yl-acetat|cis-7--hepten-(2)-diin-(4,6)-yl-acetat
3-(2-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
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.
Plicatol_B
Moscatin is a natural product found in Dendrobium loddigesii, Dendrobium moschatum, and other organisms with data available.
Oprea1_401356
7-hydroxyflavanone is a monohydroxyflavanone that is flavanone substituted by a hydroxy group at position 7. 7-Hydroxyflavanone is a natural product found in Dalbergia cochinchinensis, Berberis dictyota, and other organisms with data available.
2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
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)
5-methylpyrido[4,3-b]indole-3-carbohydrazide
C13H12N4O (240.10110619999998)
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-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)
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
3-Methoxythiophene-2-boronic acid pinacol ester
C11H17BO3S (240.09914020000002)
6-Chloropyrazine-2-boronic acid pinacol ester
C10H14BClN2O2 (240.08368040000002)
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
(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
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
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)
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
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
(5z)-5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-4-yn-1-ylidene]-3-methylfuran-2-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
(2e,8e)-9-(furan-2-yl)nona-2,8-dien-4,6-diyn-1-yl acetate
(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
(2s)-2-(prop-1-en-2-yl)-2h,3h-naphtho[2,3-b]furan-4,9-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
(2e)-2-[(2e)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-4-methylcyclopent-4-ene-1,3-dione
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
(5e)-5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-4-yn-1-ylidene]-3-methylfuran-2-one
(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
(2e)-7-(3-hydroxyphenyl)hept-2-en-4,6-diyn-1-yl acetate
3,3-dimethyl-2-methylidenenaphtho[1,2-b]furan-4,5-dione
(7r,8s)-8-hydroxy-4-methoxy-7-propyl-5h,7h,8h-pyrano[3,2-c]pyran-2-one
2-(prop-1-en-2-yl)-2h,3h-naphtho[1,2-b]furan-4,5-dione
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)
