Exact Mass: 200.0909
Exact Mass Matches: 200.0909
Found 500 metabolites which its exact mass value is equals to given mass value 200.0909,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bisphenol F
4,4'-Dihydroxydiphenylmethane is a phenolic derivative with antioxidant activities[1]. 4,4'-Dihydroxydiphenylmethane is a phenolic derivative with antioxidant activities[1].
Harmalol
Harmalol is found in fruits. Harmalol is an alkaloid from Passiflora incarnata (maypops). Harmaline is a reversible inhibitor of MAO-A (RIMA). Harmine is a reversible inhibitor of MAO-A (RIMA). It is important to note that unlike synthetic pharmaceutical MAOIs such as phenelzine, harmine is reversible and selective meaning it does not have nearly as high a risk for the "cheese syndrome" caused by consuming tyramine-containing foods, which is a risk associated with monoamine oxidase A inhibitors, but not monoamine oxidase B inhibitors. Several alkaloids that function as monoamine oxidase inhibitors (MAOIs) are found in the seeds of Peganum harmala (also known as Harmal or Syrian Rue), including harmine, harmaline, and harmalol, which are members of a group of substances with a similar chemical structure collectively known as harmala alkaloids. These alkaloids are of interest for their use in Amazonian shamanism, where they are derived from other plants. The harmala alkaloid harmine which was once known as Telepathine and Banisterine is a naturally occurring beta-carboline alkaloid that is structurally related to harmaline, and also found in the vine Banisteriopsis caapi. Tetrahydroharmine is also found in B. caapi, but not P. harmala. Dr. Alexander Shulgin has suggesed that harmaline may be a breakdown product of harmine. Harmine and harmaline are reversible MAOIs of the MAO-A isoform of the enzyme, and can stimulate the central nervous system by inhibiting the metabolism of monoamine compounds such as serotonin and norepinephrine. The harmala alkaloids occur in Peganum harmala in concentrations of roughly 3\\%, though tests have documented anywhere from 2-7\\%, as natural sources tend to vary widely in chemical makeup. Harmala alkaloids are also found in the Banisteriopsis caapi vine, the key plant ingredient in the sacramental beverage Ayahuasca, in concentrations that range between 0.31-8.43\\% for harmine, 0.03-0.83\\% for harmaline and 0.05-2.94\\% for tetrahydroharmine. Other psychoactive plants are often added to Ayahuasca to achieve visionary states of consciousness; for example leaves from Psychotria viridis, which is a source of dimethyltryptamine (DMT). The harmala alkaloids serve to potentiate these brewed compounds by preventing their breakdown in the digestive tract. The harmala alkaloids are not especially psychoactive on their own, even at high dosages, when vomiting and diarrhea become the main effect Alkaloid from Passiflora incarnata (maypops)
Safynol
Isolated from diseased Carthamus tinctorius (safflower). Safynol is found in safflower, fats and oils, and herbs and spices. Safynol is found in fats and oils. Safynol is isolated from diseased Carthamus tinctorius (safflower).
Monobenzone
Monobenzone is the monobenzyl ether of hydroquinone used medically for depigmentation. Monobenzone occurs as a white, almost tasteless crystalline powder, soluble in alcohol and practically insoluble in water. The topical application of monobenzone in animals increases the excretion of melanin from the melanocytes. The same action is thought to be responsible for the depigmenting effect of the drug in humans. Monobenzone may cause destruction of melanocytes and permanent depigmentation. D - Dermatologicals Same as: D05072
2,2'-Methylenediphenol
CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4380; ORIGINAL_PRECURSOR_SCAN_NO 4378 CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4391; ORIGINAL_PRECURSOR_SCAN_NO 4390 CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4432; ORIGINAL_PRECURSOR_SCAN_NO 4427 CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4033; ORIGINAL_PRECURSOR_SCAN_NO 4030 CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4411; ORIGINAL_PRECURSOR_SCAN_NO 4406 CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4412; ORIGINAL_PRECURSOR_SCAN_NO 4408
Alanylclavam
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002969 - Clavulanic Acids D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(1R,2R,3S,1'R)-Nepetalinic acid
(1R,2R,3S,1S)-Nepetalinic acid is found in herbs and spices. (1R,2R,3S,1S)-Nepetalinic acid is a constituent of oil of catnip Constituent of oil of catnip. (1R,2R,3S,1R)-Nepetalinic acid is found in tea and herbs and spices.
Matsutakic acid A
Matsutakic acid A is found in mushrooms. Matsutakic acid A is isolated from the fungus Laetiporus sulphureus var. miniatus. Isolated from the fungus Laetiporus sulphureus variety miniatus. Matsutakic acid A is found in mushrooms.
(±)-Camphoric acid
(±)-Camphoric acid is found in tea. (±)-Camphoric acid is a constituent of red tea Constituent of red tea. (±)-Camphoric acid is found in tea.
cis-4-Decenedioic acid
cis-4-Decenedioic acid 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. Thus, cis-4-decenedioic acid is considered to be a fatty acid lipid molecule. Cis-4-decenedioic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Cis-4-decenedioic acid can be found primarily in urine. Within the cell, cis-4-decenedioic acid is primarily located in the membrane. It can also be found in the extracellular space. Moreover, cis-4-decenedioic acid is an unsaturated dicarboxylic acid. Its level increases in patients with medium chain acyl-CoA dehydrogenase deficiency (MCADD), which is a genetic disorder of fatty acid oxidation. cis-4-Decenedioic acid is an unsaturated dicarboxylic acid. Its level increases in patients with medium chain acyl-CoA dehydrogenase deficiency, which is a disorder of fatty acid oxidation. [HMDB]
(Z)-3-(1-Butenyl)-1H-2-benzopyran-1-one
(E)-3-(1-Butenyl)-1H-2-benzopyran-1-one is found in herbs and spices. (E)-3-(1-Butenyl)-1H-2-benzopyran-1-one is a constituent of Artemisia dracunculus (tarragon)
cis-5-Decenedioic acid
cis-5-Decenedioic acid is a mono-unsaturated dicarboxylic acid. The dicarboxylic acid can be grouped into two metabolic series: the cis-4 series as well as the cis-3 and cis-5 series. The metabolic precursor of cis-5 unsaturated dicarboxylic acid is oleic acid (PMID: 2380628). cis-5-Decenedioic acid is found to be associated with medium chain acyl-CoA dehydrogenase deficiency, which is an inborn error of metabolism. cis-5-Decenedioic acid is a mono-unsaturated dicarboxylic acid. The dicarboxylic acid can be grouped into two metabolic series: the cis-4 series as well as the cis-3 and cis-5 series. The metabolic precursor of cis-5 unsaturated dicarboxylic acid is oleic acid (PMID: 2380628). [HMDB]
5-Pentyltetrahydro-2-oxo-3-furancarboxylic acid
5-Pentyltetrahydro-2-oxo-3-furancarboxylic acid is found in milk and milk products. 5-Pentyltetrahydro-2-oxo-3-furancarboxylic acid is a possible latent butter aroma compoun
alpha-Carboxy-delta-nonalactone
alpha-Carboxy-delta-nonalactone is found in milk and milk products. alpha-Carboxy-delta-nonalactone is a possible latent butter aroma compoun
Hydralazine acetone hydrazone
Hydralazine acetone hydrazone is a metabolite of hydralazine. Hydralazine (apresoline) is a direct-acting smooth muscle relaxant used to treat hypertension by acting as a vasodilator primarily in arteries and arterioles. By relaxing vascular smooth muscle, vasodilators act to decrease peripheral resistance, thereby lowering blood pressure and decreasing afterload. (Wikipedia)
1-(2-Hydroxyethoxy)methyl-5-methyluracil
(3S,8As)-7-hydroxy-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
2-Hydroxycampholonic acid
2-hydroxycampholonic acid belongs to iridoids and derivatives class of compounds. Those are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open. 2-hydroxycampholonic acid is soluble (in water) and a weakly acidic compound (based on its pKa). 2-hydroxycampholonic acid can be found in common sage, which makes 2-hydroxycampholonic acid a potential biomarker for the consumption of this food product.
4-Deoxy-2,3-dihydromycosinol
4-deoxy-2,3-dihydromycosinol is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. 4-deoxy-2,3-dihydromycosinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-deoxy-2,3-dihydromycosinol can be found in roman camomile, which makes 4-deoxy-2,3-dihydromycosinol a potential biomarker for the consumption of this food product.
(7E)-4-Deoxy-2,3-dihydromycosinol
(7e)-4-deoxy-2,3-dihydromycosinol, also known as tonghaosu, is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals (7e)-4-deoxy-2,3-dihydromycosinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (7e)-4-deoxy-2,3-dihydromycosinol can be found in german camomile, which makes (7e)-4-deoxy-2,3-dihydromycosinol a potential biomarker for the consumption of this food product.
(6R)-(+)-Goniothalamin; (R)-(+)-Goniothalamin; (R)-Goniothalamin
(3R,3aS,4R,5S,6aS)-Hexahydro-3,4-bis(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
[4S-(4alpha,5alpha,6beta)]-4,6-dihydroxy-2-(hydroxymethyl)-5-(1-methylethyl)-2-Cyclohexen-1-one
Harmolol
A harmala alkaloid in which the harman skeleton is hydroxy-substituted at C-7 and has been reduced across the 3,4 bond. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.398 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.395 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.387 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.386
(4S,5R,7S,8S,9S)-7,8-dihydroxydihyronepetalactone|jatamanin G
4-hydroxy-10-methyl-oxecane-2,6-dione|Diplodiadid-D|Diplodialide D
(Z)-2-Methyl-2-buttersaeure-(2-hydroperoxy-2-methyl-3-butenyl)ester
5-Hydroxy-3-(1-hydroxy-2-methylbutyl)-4-methyl-2(5H)-furanone
(Z)-2-Methyl-2-butensaeure-(3-hydroperoxy-2-methylidenbutyl)ester
(E) en-yn-dicycloether|(E)-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene|(E)-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4,4]non-3-ene|(E)-tonghaosu|2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4,4]non-3-ene|2-(Hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4,4]non-3-ene|cis-2-(2,4-Hexadiinyliden)-1,6-dioxaspiro[5,5]nonen-(3)|cis-2-(6-(3H)-2,4-Hexadiinyliden)1,6-dioxaspiro[5,5]nonen-(3)|cis-2-<6-(3H)-2,4-Hexadiinyliden>1,6-dioxaspiro<5,5>nonen-(3)
3,7-dimethyl-1-hydroxy-7-peroxy-octa-2E,5E-dien-4-one|7-Hydroperoxide-(2E,5E)-1,7-Dihydroxy-3,7-dimethyl-2,5-octadien-4-one
(2E)-6-hydroxy-2-hydroxymethyl-6-methyl-2,7-octadienoic acid
1-Aldehyde,Me ester-4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid|4-methoxy-3-(3-methylbut-3-en-1-ynyl)benzaldehyde|4-methoxy-3-(3-methylbut-3-en-1-yl)benzaldehyde|4-methoxy-3-(3-methylbut-3-en-1-ynyl)benzaldehyde|eutypine|eutypine methyl ether|methyleutypine
trideca-1,5t-diene-7,9,11-triyne-3,4-diol|Tridecadiin-(7.9.11)-dien-(1.5t)-diol-(3.4)
2,4-Dihydroxydiphenylmethane
CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4391; ORIGINAL_PRECURSOR_SCAN_NO 4390 CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4412; ORIGINAL_PRECURSOR_SCAN_NO 4408 CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4380; ORIGINAL_PRECURSOR_SCAN_NO 4378 CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4411; ORIGINAL_PRECURSOR_SCAN_NO 4406 CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4432; ORIGINAL_PRECURSOR_SCAN_NO 4427 CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4444; ORIGINAL_PRECURSOR_SCAN_NO 4439
3-hydroxy-5-methoxybiphenyl
A natural product found in Rhaphiolepis indica var. tashiroi.
(4R,4aR,6S,7S,7aS)-6-hydroxy-7-hydroxymethyl-4-methylperhydrocyclopenta[c]pyran-1-one|(4R,5R,7S,8S,9S)-7-Hydroxy-8-hydroxymethyl-4-methyl-perhydrocyclopenta[c]pyran-1-one
Camphoric_acid
(-)-Camphoric acid is the less active enantiomer of Camphoric acid. Camphoric acid stimulates osteoblast differentiation and induces glutamate receptor expression. Camphoric acid also significantly induced the activation of NF-κB and AP-1[1]. (-)-Camphoric acid is the less active enantiomer of Camphoric acid. Camphoric acid stimulates osteoblast differentiation and induces glutamate receptor expression. Camphoric acid also significantly induced the activation of NF-κB and AP-1[1]. (-)-Camphoric acid is the less active enantiomer of Camphoric acid. Camphoric acid stimulates osteoblast differentiation and induces glutamate receptor expression. Camphoric acid also significantly induced the activation of NF-κB and AP-1[1]. (-)-Camphoric acid is the less active enantiomer of Camphoric acid. Camphoric acid stimulates osteoblast differentiation and induces glutamate receptor expression. Camphoric acid also significantly induced the activation of NF-κB and AP-1[1]. (-)-Camphoric acid is the less active enantiomer of Camphoric acid. Camphoric acid stimulates osteoblast differentiation and induces glutamate receptor expression. Camphoric acid also significantly induced the activation of NF-κB and AP-1[1]. (-)-Camphoric acid is the less active enantiomer of Camphoric acid. Camphoric acid stimulates osteoblast differentiation and induces glutamate receptor expression. Camphoric acid also significantly induced the activation of NF-κB and AP-1[1].
34W9GO6B2Z
Goniothalamin is a natural product found in Cryptocarya latifolia, Cryptocarya wyliei, and other organisms with data available.
Bisphenol_F
Bisphenol F is a bisphenol that is methane in which two of the hydrogens have been replaced by 4-hydroxyphenyl groups. It has a role as an environmental food contaminant and a xenoestrogen. It is a diarylmethane and a bisphenol. 4,4-Methylenediphenol is a natural product found in Galeola faberi, Xanthium strumarium, and other organisms with data available. 4,4'-Dihydroxydiphenylmethane is a phenolic derivative with antioxidant activities[1]. 4,4'-Dihydroxydiphenylmethane is a phenolic derivative with antioxidant activities[1].
4-Amino-6-(tert-butyl)-3-mercapto-1,2,4-triazin-5(4H)-one
CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3767; ORIGINAL_PRECURSOR_SCAN_NO 3764 CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3840; ORIGINAL_PRECURSOR_SCAN_NO 3835 CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3753; ORIGINAL_PRECURSOR_SCAN_NO 3749 CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3830; ORIGINAL_PRECURSOR_SCAN_NO 3828 CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3791; ORIGINAL_PRECURSOR_SCAN_NO 3787 CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3792; ORIGINAL_PRECURSOR_SCAN_NO 3789
Methyl 1-Naphthaleneacetate
CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4391; ORIGINAL_PRECURSOR_SCAN_NO 4390 CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4412; ORIGINAL_PRECURSOR_SCAN_NO 4408 CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4380; ORIGINAL_PRECURSOR_SCAN_NO 4378 CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4411; ORIGINAL_PRECURSOR_SCAN_NO 4406 CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4432; ORIGINAL_PRECURSOR_SCAN_NO 4427 CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4444; ORIGINAL_PRECURSOR_SCAN_NO 4439
2-(2,4-Hexadiynylidene)-1,6-dioxaspiro(4.4)non-3-ene
1H-Benzimidazole,1-ethenyl-2-[(ethenyloxy)methyl]-(9CI)
1H-Pyrazole-4-carboxylicacid,3-(methoxymethoxy)-,ethylester(9CI)
6-Acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
ethyl (E)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
(Z)-7-[(1R,2R,3R,5S)-5-ACETOXY-3-HYDROXY-2-((E)-(S)-3-HYDROXY-OCT-1-ENYL)-CYCLOPENTYL]-HEPT-5-ENOICACIDMETHYLESTER
Pyrimido[1,2-a]benzimidazol-4(10H)-one, 2-amino- (9CI)
Ethanimidamide,2-(phenylmethoxy)-, hydrochloride (1:1)
(1S,3R)-3-(Ethoxycarbonyl)cyclohexanecarboxylic acid
(1R,4R)-4-(ETHOXYCARBONYL)CYCLOHEXANECARBOXYLIC ACID
1H-Benzimidazole,1-(5,6-dihydro-2H-pyran-2-yl)-,(S)-(9CI)
4-PYRIDIN-3-YL-4,5,6,7-TETRAHYDRO-3H-IMIDAZO[4,5-C]PYRIDINE
8-METHYL-2,3,4,5-TETRAHYDROPYRIDO[3,2-F][1,4]OXAZEPINE HYDROCHLORIDE
1-(TERT-BUTYL)-3-METHYL-1H-PYRAZOLE-5-CARBONYL CHLORIDE
2-[(1-METHYL-3-OXO-3-PHENYL-1-PROPENYL)AMINO]ACETONITRILE
(1R,2R)-DIMETHYL CYCLOHEXANE-1,2-DICARBOXYLATE
1H-Benzimidazol-2-amine,N-4H-1,2,4-triazol-4-yl-(9CI)
1,4-Benzenediamine,N1,N1-diethyl-, hydrochloride (1:1)
2H-Pyran-3-carboxylicacid,tetrahydro-6,6-dimethyl-4-oxo-,ethylester(9CI)
3-(tert-butyl)-1-methyl-1H-pyrazole-5-carbonyl chloride
(R,E)-ETHYL 3-(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)ACRYLATE
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl methacrylate
2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
2H-Pyrrolo[2,1-b][1,3]oxazine-6-carboxylicacid,3-aminohexahydro-4-oxo-(9CI)
3-Oxo-3-(tetrahydro-pyran-4-yl)-propionic acid ethyl ester
(2,5-DIOXO-1-PROPYL-IMIDAZOLIDIN-4-YL)-ACETIC ACID
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
N-[2-AMINO-1-(3-METHYLTHIEN-2-YL)ETHYL]-N,N-DIMETHYLAMINE HYDROCHLORIDE
4-HYDROXY-CYCLOHEXANECARBOXYLIC ACID METHYL ESTER ACETATE
2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one
BOC-(4S,2RS)-2-PHENYLTHIAZOLIDINE-4-CARBOXYLIC ACID
1H-Benzimidazole,2-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-(9CI)
2-(4,4-Dimethyl-2,5-dioxo-imidazolidin-1-yl)-propionic acid
1H-Benzimidazol-1-amine,N-nitroso-N-2-propynyl-(9CI)
5-METHOXY-1-(2-METHOXYETHYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
1H-1,2,4-Triazole-1-aceticacid,4-amino-3-ethyl-4,5-dihydro-5-oxo-,hydrazide(9CI)
5-methyl-1-(2-methylphenyl)pyrazole-4-carbaldehyde
[(3R)-1-methylpiperidin-3-yl]methanamine,dihydrochloride
2,5-Dimethyl-1-pyridin-3-yl-1H-pyrrole-3-carbaldehyde
N,N-Dimethyl(pyrrolidin-3-yl)Methanamine hydrochloride
6-chloro-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4-diamine
1-(TERT-BUTYL)-5-METHYL-1H-PYRAZOLE-3-CARBONYL CHLORIDE
(4-METHYL-2,5-DIOXO-4-PHENYLIMIDAZOLIDIN-1-YL)ACETICACID
Pyrido[1,2-a]benzimidazol-1(2H)-one, 3,4-dihydro-3-methyl- (9CI)
trans-2-butene-1,4-dicarboxylic acid diethyl ester
3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propanenitrile
1H-Benzimidazole-2-carboxaldehyde,1-(2-methyl-2-propenyl)-(9CI)
2,5-DIMETHYL-1-PYRIDIN-2-YL-1H-PYRROLE-3-CARBALDEHYDE
7-(1,2,4-triazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
(z)-ethyl-4,5-o-isopropylidene-(s)-4,5-dihydroxy-2-pentenoate
5-(2-DIETHYLAMINO-ETHYL)-[1,3,4]THIADIAZOL-2-YLAMINE
3-phenyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine
1H-Benzimidazole,5-methoxy-1-methyl-2-(1-propynyl)-(9CI)
N-Methyl-4-(dimethylamino)benzylamine Hydrochloride
Quinoline, 1-(cyanoacetyl)-1,2,3,4-tetrahydro- (9CI)
4-Deoxy-2,3-dihydromycosinol
4-deoxy-2,3-dihydromycosinol is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. 4-deoxy-2,3-dihydromycosinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-deoxy-2,3-dihydromycosinol can be found in roman camomile, which makes 4-deoxy-2,3-dihydromycosinol a potential biomarker for the consumption of this food product.
4,6-dimethyl-2-(methylthio)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-5-one
Tonghaosu, (Z)-
(8Z)-8-Hexa-2,4-diynylidene-4,9-dioxaspiro[4.4]non-6-ene is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals (8Z)-8-Hexa-2,4-diynylidene-4,9-dioxaspiro[4.4]non-6-ene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa).
Lactinolide
A monoterpenoid that is hexahydro-1-benzofuran-2-one carrying two methyl substituents at positions 3 and 6 as well as two hydroxy substituents at positions 5 and 6 (the 3R,3aR,5S,6S,7aR-diastereomer).
N-(1,2,3,9-Tetrahydrocarbazol-4-ylidene)hydroxylamine
3-[(2-Aminoethyl)thio]-6-methyl-1-azabicyclo[3.2.0]heptan-7-one
(3-Phenoxyphenyl)methanol
A member of the class of benzyl alcohols that is benzyl alcohol bearing a phenoxy substituent at C-3. It is a metbaolite of the insecticide permethrin.
3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002969 - Clavulanic Acids D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
sebacate(2-)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of suberic acid; major species at pH 7.3.
dihydroclavaminic acid zwitterion
Zwitterionic form of dihydroclavaminic acid.
6-[(1s)-1-hydroxypropyl]-4-methoxy-5-methyl-2h-pyran-2-ol
3-hydroperoxy-2-methylidenebutyl 2-methylbut-2-enoate
(3s,7r,8as)-1,7-dihydroxy-3-(hydroxymethyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
1-methyl-3h,4h,9h-pyrido[3,4-b]indol-2-ium-2-olate
6,7-dihydroxy-4,7-dimethyl-hexahydrocyclopenta[b]pyran-3-one
3,4-bis(hydroxymethyl)-5-methyl-hexahydrocyclopenta[b]furan-2-one
(4r,4ar,6s,7r,7as)-6,7-dihydroxy-4,7-dimethyl-hexahydrocyclopenta[b]pyran-3-one
(4s,4ar,6s,7r,7ar)-6-hydroxy-4-(hydroxymethyl)-7-methyl-hexahydro-1h-cyclopenta[c]pyran-3-one
7-hydroperoxy-1-hydroxy-3,7-dimethylocta-2,5-dien-4-one
4-methoxy-3-(3-methylbut-3-en-1-yn-1-yl)benzaldehyde
5,8-dihydroxy-10-methyl-3,4,5,8,9,10-hexahydrooxecin-2-one
(6s)-6-[(1e)-2-phenylethenyl]-5,6-dihydropyran-2-one
(4as,9ar)-4ah,9h,9ah-pyrido[3,4-b]indol-1-ylmethanol
2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4,4]-non-3-ene
{"Ingredient_id": "HBIN005672","Ingredient_name": "2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4,4]-non-3-ene","Alias": "NA","Ingredient_formula": "C13H12O2","Ingredient_Smile": "CC#CC#CC=C1C=CC2(O1)CCCO2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9495","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-(1-butenyl)-1h-2-benzopyran-1-one,9ci; (e)-form
{"Ingredient_id": "HBIN006974","Ingredient_name": "3-(1-butenyl)-1h-2-benzopyran-1-one,9ci; (e)-form","Alias": "NA","Ingredient_formula": "C13H12O2","Ingredient_Smile": "NA","Ingredient_weight": "200.23","OB_score": "NA","CAS_id": "29428-84-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8509","PubChem_id": "NA","DrugBank_id": "NA"}
4,7-dihydroxy-10-methyl-3,4,7,8,9,10-hexahydro-oxecin-2-one
{"Ingredient_id": "HBIN010089","Ingredient_name": "4,7-dihydroxy-10-methyl-3,4,7,8,9,10-hexahydro-oxecin-2-one","Alias": "NA","Ingredient_formula": "C10H16O4","Ingredient_Smile": "CC1CCC(C=CC(CC(=O)O1)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6033","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4r,5r,7s,8s,9s)-7-hydroxy-8-hydroxymethyl-4-methyl-perhydrocyclopenta[ c]pyran-1-one
{"Ingredient_id": "HBIN010867","Ingredient_name": "(4r,5r,7s,8s,9s)-7-hydroxy-8-hydroxymethyl-4-methyl-perhydrocyclopenta[ c]pyran-1-one","Alias": "NA","Ingredient_formula": "C10H16O4","Ingredient_Smile": "CC1COC(=O)C2C1CC(C2CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10207","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Ali diol
{"Ingredient_id": "HBIN015128","Ingredient_name": "Ali diol","Alias": "NA","Ingredient_formula": "C8H12N2O4","Ingredient_Smile": "C=NC1=NC2C(C(C(C2O1)CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39580","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
