Exact Mass: 248.104
Exact Mass Matches: 248.104
Found 500 metabolites which its exact mass value is equals to given mass value 248.104,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sudan_I
C.i. solvent yellow 14 appears as dark reddish-yellow leaflets or orange powder. Slight odor. (NTP, 1992) Sudan I is a monoazo compound. It has a role as a dye. It is functionally related to a 2-naphthol. D009676 - Noxae > D002273 - Carcinogens D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 5651
6-HYDROXYMELATONIN
A member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents 6-Hydroxymelatonin is a primary metabolic of Melatonin, which is metabolized by cytochrome P450 (CYP) 1A2.
Mycorradicin
Mycorradicin is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Mycorradicin is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Mycorradicin can be found in corn, which makes mycorradicin a potential biomarker for the consumption of this food product.
Bromelains
Enzymes occurring in pineapple juice (Ananas sativus); used in tenderising meat and chill-proofing beer [DFC]. Along with papain, bromelain is one of the most popular substances to use for meat tenderizing.; Bromelain can refer to one of two protease enzymes extracted from the plant family Bromeliaceae, or it can refer to a combination of those enzymes along with other compounds produced in an extract. [BioSpider]. Bromelains is found in pineapple and fruits. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives Enzymes occurring in pineapple juice (Ananas sativus); used in tenderising meat and chill-proofing beer [DFC] C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
6-Hydroxymelatonin
6-Hydroxymelatonin, also known as lopac-H-0627, belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group. 6-Hydroxymelatonin is considered to be a practically insoluble (in water) and relatively neutral molecule. 6-Hydroxymelatonin has been found in human liver and kidney tissues, and has also been detected in multiple biofluids, such as urine and blood. Within the cell, 6-hydroxymelatonin is primarily located in the cytoplasm. 6-Hydroxymelatonin is the main primary metabolite that can be biosynthesized from melatonin through its interaction with the enzyme cytochrome P450 (CYP) 1A2 (PMID: 11452239). In humans, 6-hydroxymelatonin is involved in the tryptophan metabolism pathway. Melatonin is a hormone that is metabolized by cytochrome P450 (CYP) 1A2 to its main primary metabolite 6-hydroxymelatonin. (PMID 11452239) [HMDB]. 6-Hydroxymelatonin is found in many foods, some of which are garden onion, millet, peppermint, and apricot. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents 6-Hydroxymelatonin is a primary metabolic of Melatonin, which is metabolized by cytochrome P450 (CYP) 1A2.
(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one
(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one is found in beverages. (+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002
Glutamylthreonine
Glutamylthreonine is a dipeptide composed of glutamate and threonine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylthreonine 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.
Gamma-Glutamylthreonine
gamma-Glutamylthreonine is a dipeptide composed of gamma-glutamate and threonine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylthreonine 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.
Prenyl cis-caffeate
Prenyl cis-caffeate is a constituent of Populus species Prenyl cis-caffeate is a flavouring agent. Constituent of Populus subspecies
Citreovirenone
Citreovirenone is a mycotoxin produced by the rice storage mould Penicillium citreo-viride B. Mycotoxin production by the rice storage mould Penicillium citreo-viride B.
3-{4-hydroxy-3-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]phenyl}prop-2-enoic acid
3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
3-[2,4-Dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
3-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenoic acid
Methionyl-Valine
Methionyl-Valine is a dipeptide composed of methionine and valine. 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.
Valylmethionine
Valylmethionine is a dipeptide composed of valine and methionine. 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.
Threonylglutamic acid
Threonylglutamic acid is a dipeptide composed of threonine and glutamic acid. 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.
7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran
7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran is found in fats and oils. 7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran is a constituent of Madia sativa (Chile tarweed)
cyclic 3-Hydroxymelatonin
This compound belongs to the family of Pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole.
2-Oxomelatonin
2-Oxomelatonin is a metabolite of melatonin. Melatonin Listen/ˌmɛləˈtoʊnɪn/, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants, and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. (Wikipedia)
Pyriculariol
A member of the class of benzaldehydes that is salicylaldehyde which is substituted at position 6 by a (1E,3E,5R,6S)-5,6-dihydroxyhepta-1,3-dien-1-yl group. An isomer of pyriculol.
2-Hydroxy-1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone
7-Hydroxy-4-(3-methylbutoxy)-2H-1-benzopyran-2-one
4-pentyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
3beta-methoxy-2, 3-dihydrobenzofuran|6-acetyl-5-hydroxy-2-isopropenyl-3-methoxy-2,3-dihydrobenzofuran|6-acetyl-5-hydroxy-2-isopropenyl-3beta-methoxy-2,3-dihydrobenzofuran
(3R,3aR)-3-(3-furanyl)-3a-methyl-7-hydroxymethyl-6-hydroxy-1,3,3a,4,5,6-hexahydrobenzo[c]furan-1-one|10-hydroxyfraxinellone|30-hydroxyfraxinellone
(6S)-4-(2,4-hexadienoyl)-3,6-dihydroxy-2,6-dimethyl-2,4-cyclohexadien-1-one|sorbicillinol
8-Methyl-8-(hydroxymethyl)-3,4-dihydro-2H,8H-benzo[1,2-b:3,4-b]dipyran-3-ol
2,2,5-Trimethyl-7-hydroxy-2H-1-benzopyran-6-carboxylic acid methyl ester
(E)-4-hydroxy-2-methoxy-5-(1-oxo-4-hexenyl)-benzaldehyde
2,2-Dimethyl-8-methoxy-2H-1-benzopyran-6-carboxylic acid methyl ester
4-(1-hydroxy-2-butenyl)-1,4-dihydro-2,3-benzodioxocin-10-ol
6-Ethyl-4H-indolo[3,2,1-de][1,5]naphthyridine-4-one
Trans-dec-8.en-4,6-diyn-1-yl-cis-3-methylthioacrylat
(3S*,4S*,5R*)-(E)-3,4-dihydroxy-2-(hexa-2,4-diyniliden)-1,6-dioxaspiro-(4.5)-decane|(3S*,4S*,5R*)-(E)-3,4-Dihydroxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro-(4,5)decane|(E)-3beta,4alpha-dihydroxyl-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4,5]decane
3-(5-methylene-2-oxo-6-penta-1,3-dienyl-5,6-dihydro-2H-pyran-3-yl)propionic acid|Dykellic acid
1-(2-methoxy-3-formyl-but-3-en-1-yl)-resacetophenone|1-<2-methoxy-3-formyl-but-3-en-1-yl>-resacetophenone
2,2,7-Trimethyl-5-hydroxy-2H-1-benzopyran-6-carboxylic acid methyl ester
nigerapyrone D
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 3-methyl-5-oxohexa-1,3-dien-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger.
3-[(2E)-but-2-en-1-yl]-5-hydroxy-5,7-dimethyl-4,5-dihydro-1-benzofuran-2,6-dione|phialofurone
(4aR,8S,8aR,9aS)-8-hydroxy-3,8a-dimethyl-4,4a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2,5-dione|linderolide H
3-ethoxycarbonyl-3-hydroxyglutaric acid 1,5-dimethyl ester
7-Hydroxy-2-(2-hydroxybutyl)-5-methyl-2-chromene-4-one
3-Acetoxy-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-on|3-acetoxy-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one|N-O-Acetylcytisine
4-acetyl-3-hydroxy-1-hydroxymethyl-6-methyl-5-oxo-5,6,7,8-tetrahydronaphthalene|goldfussin B
1,3-Dimethyl-6-propionylpteridine-2,4(1H,3H)-dione
(E)-3-(2,2-dimethyl-3,4-dihydro-3-hydroxy-2H-1-benzopyran-6-yl)-2-propenoic acid
(1Z,2E,4E)-5-(2,4-Hexadienylidene)-5,6-dihydro-2-oxo-2H-pyran-3-propanoic acid
gamma-Glutamylthreonine
A dipeptide composed of glutamic acid and threonine joined by a peptide linkage.
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one
C14H16O4_2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5S,6S)
(2S,3S)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000846131]
8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based on: CCMSLIB00000847794]
8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based: Match]
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based: Match]
Sudan I
CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10862; ORIGINAL_PRECURSOR_SCAN_NO 10860 D009676 - Noxae > D002273 - Carcinogens D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10878; ORIGINAL_PRECURSOR_SCAN_NO 10876 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10910; ORIGINAL_PRECURSOR_SCAN_NO 10908 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10917; ORIGINAL_PRECURSOR_SCAN_NO 10916 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10908; ORIGINAL_PRECURSOR_SCAN_NO 10905 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10943; ORIGINAL_PRECURSOR_SCAN_NO 10942
Met-val
A dipeptide formed from L-methionine and L-valine residues.
Val-met
A dipeptide formed from L-valine and L-methionine residues.
5-hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran
3a-(Trifluoromethyl)decahydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-1-one
Atipamezole hydrochloride
Atipamezole (MPV-1248) hydrochloride is a potent α2-adrenoceptor antagonist with a Ki of 1.6 nM[1].
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-1-ylmethanone
5-[4-(DIMETHYLAMINO)PHENYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
2-(3,4-DIMETHYLBENZOYL)-3-OXO-BUTYRICACIDMETHYLESTER
2-(1-BENZYL-1,2,3,6-TETRAHYDROPYRIDIN-4-YL)ACETONITRILE HYDROCHLORIDE
2-Methyl-2-propanyl 3-(4-methylphenyl)-2,3-dioxopropanoate
TERT-BUTYL 3-(HYDROXYMETHYL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE
6-(1,1-DIMETHYLPROPYL)-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID
2-chloro-4-[cyclopropylmethyl(propyl)amino]benzonitrile
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile
Ethyl 2,3-O-isopropylidene-1-thio-a-L-rhamnopyranoside
Amobarbital Sodium
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
Propanebis(thioic)acid,S1,S3-bis(1,1-dimethylethyl) ester
2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexene-1-carboxaldehyde
5-METHOXY-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
5,6-DIAMINO-1-ETHYL-3-PROPYLPYRIMIDINE-2,4(1H,3H)-DIONE HYDROCHLORIDE
4-CHLOROCARBONYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(Benzo[d][1,3]dioxol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Tetrahydrouridine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2135 - Cytidine Deaminase Inhibitor D009676 - Noxae > D000963 - Antimetabolites
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanamine
1-(4-FLUOROPHENYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
1-Isopentyl-7-methyl-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione
ISOPENTYL 3-AMINOFURO[2,3-B]PYRIDINE-2-CARBOXYLATE
1-ethyl-3-methylimidazol-3-ium,trifluoro(trifluoromethyl)boranuide
TERT-BUTYL 3-(HYDROXYMETHYL)-1H-INDAZOLE-1-CARBOXYLATE
Methyl 5,6-dimethoxy-3,4-dihydro-1-naphthalenecarboxylate
4-Pyridinecarbonitrile,3,5-bis(trimethylsilyl)-(9CI)
1H-1,2,4-Triazole-3-carboxamide,N-(3,4-dimethoxyphenyl)-(9CI)
1-(4-Methoxybutyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
5-hydroxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
2-N-(2-phenylethyl)benzene-1,2-diamine,hydrochloride
Propanoic acid, 2-[(3-ethoxy-3-oxopropyl)thio]-2-methyl-, ethyl ester
TERT-BUTYL 5-(HYDROXYMETHYL)-1H-BENZO[D]IMIDAZOLE-1-CARBOXYLATE
(S)-3-amino-1-(4-methoxybenzyl)piperidine-2,6-dione hydrochloride
ethyl 6-(tert-butyl)-3-cyano-2-hydroxyisonicotinate
methyl 4-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxylate
1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethan-1-one
2-(3-Methoxybenzylidene)-3-oxobutyric acid ethyl ester
a-D-Xylofuranose,1,2-O-(1-methylethylidene)-, 5-(methyl carbonate) (9CI)
1-(4-(DIMETHYLAMINO)PHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID
(9-OXO-4,5,6,7,8,9-HEXAHYDRO-[1,2,4]TRIAZOLO-[5,1-B]QUINAZOLIN-2-YL)-ACETIC ACID
1-(2-HYDROXY-ETHYL)-2-METHYL-1H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
1-(2-Methoxyphenyl)-4-oxocyclohexanecarboxylic acid
1-(3-Methoxyphenyl)-4-oxocyclohexanecarboxylic acid
ethyl 3-[4-(1,3-dioxolan-2-yl)phenyl]prop-2-enoate
1-(8b-Hydroxy-7-methoxy-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanone
N-(2-(2-Hydroxy-5-methoxy-1H-indol-3-yl)ethyl)acetamide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
6-(1H-benzimidazol-2-yl)-2-methyl-1H-benzimidazole
5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
2-(1-Methoxy-2-(naphthalen-1-yl)ethylidene)malononitrile
2,2-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
(5S,6S)-4-Methoxy-5-hydroxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one
5-{[(2-Amino-9H-purin-6-YL)oxy]methyl}-2-pyrrolidinone
3-[4-Hydroxy-3-(4-hydroxy-3-methylbut-2-enyl)phenyl]prop-2-enoic acid
3-(4-Oxopentyl)-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one
2(1H)-pyrimidinone, tetrahydro-4-hydroxy-1-beta-D-ribofuranosyl-
D009676 - Noxae > D000963 - Antimetabolites
CID 23697378
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
[(2R)-3-carboxy-2-(2-carboxyacetyl)oxypropyl]-trimethylazanium
2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5R-cis)-
3,4-Dihydroxy-5-prenylcinnamic acid
A hydroxycinnamic acid that is trans-caffeic acid substituted by a prenyl group at position 5. Isolated from Brazilian propolis, it exhibits antioxidant activity.
3-amino-5-(1-naphthalenylmethyl)-1H-pyrazole-4-carbonitrile
3-ethyl-5-[(2E)-2-(2-fluorobenzylidene)hydrazinyl]-4H-1,2,4-triazol-4-amine
(Z)-3-[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]phenyl]prop-2-enoic acid
3-Carboxylato-2-(carboxyacetyloxy)-N,N,N-trimethyl-1-propaneaminium
[(2S)-3-carboxy-2-(2-carboxyacetyl)oxypropyl]-trimethylazanium
1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-(oxidoamino)urea
1H-Indole-2,3-dione, 1-(trimethylsilyl)-, 3-(O-methyloxime)
(E)-1-Chlorodimethylsilyl-1-trimethylsilyl-3,3-dimethyl-1-butene
2-[(Z)-2,4-Hexadiynylidene]-1,6-dioxaspiro[4.5]decane-3,4-diol
Pentobarbital sodium
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
Monocyclohexyl phthalate
A phthalic acid monoester resulting from the formal condensation of one of the carboxy groups of phthalic acid with cyclohexanol. It is a metabolite of the commonly used plasticiser dicyclohexyl phthalate.
2-hydroxymelatonin
A member of the class of hydroxyindoles that is melatonin in which the hydrogen at position 2 of the indole ring has been replaced by a hydroxy group. A predominant hydroxylated melatonin metabolite in plants.
L-gamma-Glu-L-THR
A dipeptide obtained by formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of L-threonnine.
3-(furan-3-yl)-7-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
7a-hydroxy-8-methyl-3-methylidene-3ah,4h,4ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
2-methyl-5-(6-methyl-5,6-dihydro-4h-pyran-2-carbonyl)benzene-1,3-diol
7-hydroxy-6-methyl-5-[(3-methylbut-2-en-1-yl)oxy]-3h-2-benzofuran-1-one
2-[(1e,3e,5r,6s)-5,6-dihydroxyhepta-1,3-dien-1-yl]-6-hydroxybenzaldehyde
8-(furan-3-yl)-3,7-dimethyl-2,9-dioxatricyclo[5.3.0.0¹,³]decan-10-one
1-[(2s)-6-hydroxy-7-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)ethanone
(2r)-2-({[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}oxy)butanedioic acid
1-(7-hydroxy-8-methoxy-2,2-dimethylchromen-6-yl)ethanone
4-[(4e)-hex-4-enoyl]-5-hydroxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
2-[(1e,3s,4s,5e)-3,4-dihydroxyhepta-1,5-dien-1-yl]-6-hydroxybenzaldehyde
8-ethyl-3-(hydroxymethyl)-2,8-dimethylchromene-4,7-dione
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-8-yl)ethanone
(3ar,4ar,7as,8r,9ar)-7a-hydroxy-8-methyl-3-methylidene-3ah,4h,4ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
7-hydroxy-4-isopropyl-3-methoxy-6-methylchromen-2-one
7-hydroxy-3-(2-hydroxypropyl)-5,6-dimethylisochromen-1-one
3-(4-hydroxyphenyl)-4-(2-methylpropyl)oxolane-2,5-dione
7-hydroxy-2-[(1e)-3-hydroxyprop-1-en-1-yl]-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one
(3s*,4s*,5r*)-(e)-3,4-dihydroxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro-(4,5)decane
{"Ingredient_id": "HBIN009643","Ingredient_name": "(3s*,4s*,5r*)-(e)-3,4-dihydroxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro-(4,5)decane","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "CC#CC#CC=C1C(C(C2(O1)CCCCO2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5902","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-acetyl-5-hydroxy-2-isopropenyl-3-methoxy-2,3-dihydrobenzofuran
{"Ingredient_id": "HBIN012165","Ingredient_name": "6-acetyl-5-hydroxy-2-isopropenyl-3-methoxy-2,3-dihydrobenzofuran","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "419","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6beta-hydroxyfraxinellone
{"Ingredient_id": "HBIN012275","Ingredient_name": "6beta-hydroxyfraxinellone","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3","Ingredient_weight": "248.27 g/mol","OB_score": "15.20442498","CAS_id": "NA","SymMap_id": "SMIT07894","TCMID_id": "NA","TCMSP_id": "MOL006245","TCM_ID_id": "NA","PubChem_id": "478833","DrugBank_id": "NA"}
(6r,7r,8r)-8-methoxygoniodiol
{"Ingredient_id": "HBIN012779","Ingredient_name": "(6r,7r,8r)-8-methoxygoniodiol","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "COC(C1=CC=CC=C1)C(C2CC=CC(=O)O2)O","Ingredient_weight": "248.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13936","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44566796","DrugBank_id": "NA"}
9beta-hydroxyfraxinellone
{"Ingredient_id": "HBIN014071","Ingredient_name": "9beta-hydroxyfraxinellone","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3","Ingredient_weight": "248.27 g/mol","OB_score": "96.52281962","CAS_id": "NA","SymMap_id": "SMIT07920","TCMID_id": "NA","TCMSP_id": "MOL006274","TCM_ID_id": "NA","PubChem_id": "478833","DrugBank_id": "NA"}
anticancer alkaloid pmv70p691-050
{"Ingredient_id": "HBIN016308","Ingredient_name": "anticancer alkaloid pmv70p691-050","Alias": "NA","Ingredient_formula": "C16H12N2O","Ingredient_Smile": "COC1=C2C(=NC3=CC=CC=C31)C4=CC=CC=C4N2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1380","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
