Exact Mass: 250.1084
Exact Mass Matches: 250.1084
Found 500 metabolites which its exact mass value is equals to given mass value 250.1084,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
flidersiachromone
2-(2-phenylethyl)chromone is a member of the class of chromones that is chromone which is substituted by a 2-phenylethyl group at position 2. It is found in agarwood, a fragrant resinous heartwood obtained from certain trees in the genus Aquilaria. It has a role as a plant metabolite. It is a member of chromones and a member of benzenes. It is functionally related to a chromone. 2-(2-Phenylethyl)chromone is a natural product found in Aquilaria sinensis, Aquilaria malaccensis, and Imperata cylindrica with data available. A member of the class of chromones that is chromone which is substituted by a 2-phenylethyl group at position 2. It is found in agarwood, a fragrant resinous heartwood obtained from certain trees in the genus Aquilaria. 2-(2-Phenylethyl)chromone (Flidersiachromone) is one of 2-(2-phenylethyl)chromones that can be found in Chinese eaglewood from Aquilaria sinensis[1]. 2-(2-Phenylethyl)chromone (Flidersiachromone) is one of 2-(2-phenylethyl)chromones that can be found in Chinese eaglewood from Aquilaria sinensis[1].
METHAQUALONE
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Diisopropylphthalate
CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9433; ORIGINAL_PRECURSOR_SCAN_NO 9428 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4533; ORIGINAL_PRECURSOR_SCAN_NO 4530 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9448; ORIGINAL_PRECURSOR_SCAN_NO 9444 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4512; ORIGINAL_PRECURSOR_SCAN_NO 4510 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9411; ORIGINAL_PRECURSOR_SCAN_NO 9407 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9458; ORIGINAL_PRECURSOR_SCAN_NO 9456 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4596; ORIGINAL_PRECURSOR_SCAN_NO 4593 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9380; ORIGINAL_PRECURSOR_SCAN_NO 9378 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4515; ORIGINAL_PRECURSOR_SCAN_NO 4513 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9407; ORIGINAL_PRECURSOR_SCAN_NO 9402 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4506; ORIGINAL_PRECURSOR_SCAN_NO 4505 CONFIDENCE standard compound; INTERNAL_ID 832; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4506; ORIGINAL_PRECURSOR_SCAN_NO 4504 CONFIDENCE standard compound; INTERNAL_ID 196
Dipropylphthalate
CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9488; ORIGINAL_PRECURSOR_SCAN_NO 9483 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4235; ORIGINAL_PRECURSOR_SCAN_NO 4230 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4278; ORIGINAL_PRECURSOR_SCAN_NO 4277 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4579; ORIGINAL_PRECURSOR_SCAN_NO 4575 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9470; ORIGINAL_PRECURSOR_SCAN_NO 9468 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4253; ORIGINAL_PRECURSOR_SCAN_NO 4251 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4271; ORIGINAL_PRECURSOR_SCAN_NO 4270 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9411; ORIGINAL_PRECURSOR_SCAN_NO 9407 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4287; ORIGINAL_PRECURSOR_SCAN_NO 4286 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9460; ORIGINAL_PRECURSOR_SCAN_NO 9457 CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9433; ORIGINAL_PRECURSOR_SCAN_NO 9428 CONFIDENCE standard compound; INTERNAL_ID 197
Arborine
Arborine is a member of quinazolines. Arborine is a natural product found in Glycosmis pentaphylla with data available. Arborine is found in herbs and spices. Arborine is a major alkaloid from Ruta graveolens (rue Arborine inhibits the peripheral action of acetylcholine and induces a fall in blood pressure[1][1]. Arborine inhibits the peripheral action of acetylcholine and induces a fall in blood pressure[1][1]. Arborine inhibits the peripheral action of acetylcholine and induces a fall in blood pressure[1][1].
3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile
Ubiquinone-1
Ubiquinone-1 is a member of the chemical class known as Polyprenylbenzoquinones. These are compounds containing a polyisoprene chain attached to a quinone at the second ring position. Ubiquione-1 has just 1 isoprene unit. Normally in humans it has 10. Ubiquinone-1 is an intermediate in the synthesis of Ubiquionone 10, which is also called Coenzyme Q (CoQ). CoQ is found in the membranes of endoplasmic reticulum, peroxisomes, lysosomes, vesicles and notably the inner membrane of the mitochondrion where it is an important part of the electron transport chain; there it passes reducing equivalents to acceptors such as Coenzyme Q : cytochrome c - oxidoreductase. CoQ is also essential in the formation of the apoptosome along with other adapter proteins. The loss of trophic factors activates pro-apoptotic enzymes, causing the breakdown of mitochondria. Because of its ability to transfer electrons and therefore act as an antioxidant, Coenzyme Q has become a valued dietary supplement. CoQ10 has been widely used for the treatment of heart disease (especially heart failure), gum diseases, and also breast cancer. The benzoquinone portion of Coenzyme Q10 is synthesized from amino acids, while the isoprene sidechain is synthesized from acetyl CoA through the mevalonate pathway. The mevalonate pathway is used for the first steps of cholesterol biosynthesis. A compound composed of the standard 2,3-dimethoxy-5-methylbenzoquinone nucleus common to ubiquinones; and a side chain of a single isoprenoid unit. [ChEBI] COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Methaqualone
Methaqualone, also known as optimil or ortonal, belongs to the class of organic compounds known as quinazolines. Quinazolines are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. Methaqualone is a drug which is used for the treatment of insomnia, and as a sedative and muscle relaxant. Methaqualone exists as a solid and is considered to be practically insoluble (in water) and relatively neutral. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid
3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid is an antioxidant used in food industry. D020011 - Protective Agents > D000975 - Antioxidants Antioxidant used in food industry
Helinorbisabone
Helinorbisabone is found in fats and oils. Helinorbisabone is a constituent of Helianthus annuus (sunflower) Constituent of Helianthus annuus (sunflower). Helinorbisabone is found in fats and oils.
Pterosin H
Isolated from Pteridium aquilinum (bracken fern). Pterosin H is found in green vegetables and root vegetables. Pterosin H is found in green vegetables. Pterosin H is isolated from Pteridium aquilinum (bracken fern).
Threonylmethionine
Threonylmethionine is a dipeptide composed of threonine 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.
Methionyl-Threonine
Methionyl-Threonine is a dipeptide composed of methionine and threonine. 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.
Methyl neopentyl phthalic acid
Methyl neopentyl phthalic acid, also known as phthalic acid, methyl neopentyl ester, is classified as a member of the benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Methyl neopentyl phthalic acid is considered to be practically insoluble (in water) and basic. (ChemoSummarizer)
N-Acetylkynurenine
N-Acetylkynurenine (CAS: 2044-53-3) belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. N-Acetylkynurenine has been identified in urine (PMID: 6051633).
Delta-CEHC
delta-CEHC, also known as δ-cehc, belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. Based on a literature review very few articles have been published on delta-CEHC.
2-(3-Methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-
2-[4-(2-Carboxy-2-methylpropyl)phenyl]propionic acid
Dechlorodiazepam
Dechlorodiazepam, also known as bda 250, is a member of the class of compounds known as 1,4-benzodiazepines. 1,4-benzodiazepines are organic compounds containing a benzene ring fused to a 1,4-azepine. Dechlorodiazepam is practically insoluble (in water) and a strong basic compound (based on its pKa). Dechlorodiazepam can be found in common wheat, which makes dechlorodiazepam a potential biomarker for the consumption of this food product.
dehydroeffusol
5-Ethenyl-1-methylphenanthrene-2,7-diol is a natural product found in Juncus setchuensis, Juncus effusus, and Juncus acutus with data available. Dehydroeffusol is a phenanthrene from medicinal herb Juncus effuses. Dehydroeffusol inhibits gastric cancer cell growth and tumorigenicity by selectively inducing tumor-suppressive endoplasmic reticulum stress and a moderate apoptosis. It shows very low toxicity[1][2]. Dehydroeffusol is a phenanthrene from medicinal herb Juncus effuses. Dehydroeffusol inhibits gastric cancer cell growth and tumorigenicity by selectively inducing tumor-suppressive endoplasmic reticulum stress and a moderate apoptosis. It shows very low toxicity[1][2].
[5-methoxy-1-(4-methoxy-6-methyl-pyrimidin-2-yl)-1H-pyrazol-3-yl]-methanol
Isobutyric acid 2-methoxy-4-(1-hydroxy-2-propenyl)phenyl ester
5-Ethyl-5-(3-oxy-1-cyclohexenyl)-hexahydropyrimidin-2,4,6-trione
2,4,6-Trihydroxy-propiophenon-4-O-3,3-dimethylallylether
4-Methoxy-2-(3-methyloxiranyl)phenyl 2-methylpropanoate
dihydropyriculol
A member of the class of benzyl alcohols resulting from the formal reduction of the aldehyde group of pyriculol. Produced by the rice blast fungus Magnaporthe oryzae.
(E)-2-(4-hydroxyphenyl)-5-(1-propenyl)benzofuran|2-(4-hydroxyphenyl)-5-((E)-prop-2-en-1-yl)benzofuran|2-(4-Hydroxyphenyl)-5-(1-propenyl)-benzofuran|2-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran
(4aS,5R,6S)-6-(acetyloxy)-5,6,7,8-tetrahydro-3-hydroxy-4a,5-dimethylnaphthalen-2(4aH)-one|3beta-(acetyloxy)-7-hydroxynoreremophila-6,9-dien-8-one
(+/-)-vertinolide|(-)-4-hydroxy-3,5-dimethyl-5-(3-oxo-(E,E)-4,6-octadienyl)-2(5H)-furanone|4-hydroxy-3,5-dimethyl-5-((E)-3-oxoocta-4,6-dienyl)furan-2(5H)-one|vertinolide
3-acetyl-5-<(1E,3E)-hexa-1,3-dienyl>-4-methoxy-5-methylfuran-2(5H)-one|3-acetyl-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methyl-2(5H)-furanone|iso-gregatin B|Isogregatin B
2,4-Dihydroxy-3-(3-methyl-2-butenyl)-6-methylbenzoic acid methyl ester
(3S,3aR,4S,6aR,9aS,9bR)-4-hydroxy-3-methyl-6-methyleneoctahydroazuleno[4,5-b]furan-2,8(3H,9bH)-dione|15-nor-guaianolide
2-Hydroxy-3-methoxy-4-methyl-5-(3-methyl-2-butenyl)benzoic acid
(S)-1-methylbutyl caffeate
An alkyl caffeate ester obtained by the formal condensation of trans-caffeic acid with 2-pentanol. Isolated from the leaves of Piper sanguineispicum, it has been shown to exhibit antileishmanial activity.
1-(2-methoxy-4-hydroxy-5-acetylphenyl)-3-methylbutan-1-one
(Z)-4,4-dihydroxy-1,5-diphenylpent-3-en-1-yne|lawsochylin A
1,2-4,5-tetrahydro-11-nor-11-hydroxy-Delta7,11-santonin
1,4-diacetoxy-2-isopropyl-5-methyl-benzene|1,4-Diacetoxy-2-isopropyl-5-methyl-benzol|2,5-diacetylthymol|2-hydroxythymol diacetate|2.5-Diacetoxy-p-cymol|Thymochinol-diacetat|Thymohydrochinon-diacetat
11-hydroxy-4alpha,5alpha-epoxy-1alphaH,10alphaH-13-norguai-7(11)-en-12,8alpha-olide
1-(2-hydroxy-4-methoxy-5-hydroxymethylphenyl)-E-4-hexen-1-one
4-methoxy-2-(5-methoxy-3-methyl-pyrazol-1-yl)-6-methyl-pyrimidin-5-ol
1-(5-acetyl-2-hydroxy-4-methoxyphenyl)-3-methylbutan-1-one
5-methoxy-1-(4-methoxy-6-methyl-pyrimidin-2-yl)-3-methyl-1H-pyrazol-4-ol
(1S,3R)-3-hydroxy-1-methylbutyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
5,6,7-trimethoxy-2,2-dimethyl-2H-chromene|Methyl-evodionol
3-(2-Hydroxy-3-methyl-3-butenyl)-4-hydroxybenzoic acid ethyl ester
3,6-Dimethylflavone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.386 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.383
8-hydroxy-3-(4-hydroxypentyl)-3,4-dihydroisochromen-1-one
C17H14O2_2(5H)-Furanone, 4-phenyl-3-(phenylmethyl)
Met-THR
A dipeptide formed from L-methionine and L-threonine residues.
THR-Met
A dipeptide formed from L-threonine and L-methionine residues.
8,13-dihydroxy-1-methyl-9-methylene-2-oxo-1,2,5b,6,7,8,9,10,11,11a-decahydro-4H-1,4:8,10a-dimethanoazuleno[1,2-d]oxepine-11-carboxylic acid
4-(3-PHENYL-4,5-DIHYDRO-PYRAZOL-1-YL)-BENZALDEHYDE
1-(2-AMINO-1-M-TOLYL-ETHYL)-PYRROLIDINE-3-CARBOXYLICACID
propan-2-yl 2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
tert-butyl 3-(methanesulfonamido)azetidine-1-carboxylate
Acetic acid,2-(9H-fluoren-9-ylidene)-, ethyl ester
ethyl 2-(3-nitro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)acetate
POLY(EPICHLOROHYDRIN-CO-ETHYLENE OXIDE-CO-ALLYL GLYCIDYL ETHER)
2-NITRO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZALDEHYDE
N1-BENZYL-N1-METHYLPROPANE-1,3-DIAMINE DIHYDROCHLORIDE
2-(2-carboxy-2-methylpropyl)-4,6-dimethylbenzoic acid
1-METHYL-5-PHENYL-1,3-DIHYDRO-BENZO[E][1,4]DIAZEPIN-2-ONE
2-(1-METHYL-1H-BENZIMIDAZOL-2-YL)-1-PHENYLETHANONE
Ethanone, 1-(1,9-diazaspiro[5.5]undec-1-yl)-2,2,2-trifluoro
Ethanone, 1-(2,9-diazaspiro[5.5]undec-9-yl)-2,2,2-trifluoro
N-Ethyl-4-(dimethylamino)benzylamine Dihydrochloride
TERT-BUTYL 6-FLUORO-3-METHYL-1H-INDAZOLE-1-CARBOXYLATE
Benzenemethanol,2,3-dimethoxy-a-2-propen-1-yl-, 1-acetate
2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
(1R,2S)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
methyl 1-(2-fluorophenyl)-4-oxocyclohexane-1-carboxylate
3-isobutyl-6-methyl-4-oxo-3,4-dihydrofuro[2,3-d]pyrimidine-5-carboxylic acid
Methyl (7-nitro-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate
1-[2-HYDROXY-4-(OXIRAN-2-YLMETHOXY)-3-PROPYLPHENYL]ETHAN-1-ONE
(7BR,10AR)-2,3,4,7B,8,9,10,10A-OCTAHYDRO-1H-CYCLOPENTA[B][1,4]DIAZEPINO[6,7,1-HI]INDOLE HYDROCHLORIDE
(2-BENZO[1,3]DIOXOL-5-YL-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
[4-(2-Aminoethyl)benzyl]dimethylamine dihydrochloride
2-N-(4-methoxyphenyl)benzene-1,2-diamine,hydrochloride
1-(4-METHYLBENZYL)-1H-BENZIMIDAZOLE-2-CARBALDEHYDE
1-(3-chloropropyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one
methyl 1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylate
1-(1-PHENYL-ETHYL)-1H-BENZOIMIDAZOLE-2-CARBALDEHYDE
(R)-2-acetyl-2-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
2-(3-(METHOXYCARBONYL)-5,6-DIHYDRO-1,7-NAPHTHYRIDIN-7(8H)-YL)ACETICACID
3-[4-(TERT-BUTYL)PHENYL]-5-(CHLOROMETHYL)-1,2,4-OXADIAZOLE
5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenecarbonyl chloride
(2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methanol
4-Fluoro-2-formylbenzeneboronic acid pinacol ester
1-(Propyltrimethoxyl)-3-methylimidazolium chloride
(4-(3-(2-Acetylhydrazinyl)-3-oxopropyl)phenyl)boronic acid
CIS-2-(3-FLUOROBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
Fluorotrimethylsilylketene Ethyl Trimethylsilyl Acetal (mixture of isomers)
6-Chloro-5-methyl-2-piperidin-4-yl-1,3-benzoxazole
1-[(6-oxo-1,6-dihydropyridin-3-yl)carbonyl]piperidine-4-carboxylic acid
4-Fluoro-3-formylbenzeneboronic acid pinacol ester
6-chloro-2,3,4,4a,9,9a-hexahydro-1h-carbazole-1-carboxamide
4-(2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl)benzoic acid
3-AMINO-1-METHYL-5-PHENYL-1H-AZEPIN-2(3H)-ONE HYDROCHLORIDE
7-Methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
2-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran
A member of the class of benzofurans that is 1-benzofuran substituted by a 4-hydroxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.
3-([1,2,4]Triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
2-(3,4-dimethyl-6-oxo-2H-pyrano[2,3-c]pyrazol-5-yl)acetic acid ethyl ester
3,5-Dimethoxy-4-[(3-methylbut-2-en-1-yl)oxy]benzaldehyde
m-(n,n,n-Trimethylammonio)-2,2,2-trifluoro-1,1-dihydroxyethylbenzene
61828-53-3
2-(2-Phenylethyl)chromone (Flidersiachromone) is one of 2-(2-phenylethyl)chromones that can be found in Chinese eaglewood from Aquilaria sinensis[1]. 2-(2-Phenylethyl)chromone (Flidersiachromone) is one of 2-(2-phenylethyl)chromones that can be found in Chinese eaglewood from Aquilaria sinensis[1].
3-(4-Hydroxypentyl)-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one
1-[[(2S)-2-amino-4-methylpentanoyl]amino]ethenyl-methoxyphosphinic acid
2-(3-Methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Westerdijkin A
A methyl ester resulting from the formal condensation of the the carboxy group of {4-[(2-hydroxy-3-methylbut-3-en-1-yl)oxy]phenyl}acetic acid with methanol. It is a natural product isolated from the culture of the deep sea-derived fungus Aspergillus westerdijkiae SCSIO 05233.
(4-Methoxyphenyl)-(4-methyl-1-piperazinyl)methanethione
2-Methyl-6-phenyl-6H-1,3,3a,5,6,7-hexaaza-as-indacene
Dihydropyriculariol
A hydroxybenzyl alcohol that is pyriculariol in which the aldehyde goup has been reduced to the corresponding alcohol.
(3Z)-6-(2,5-Dihydroxy-4-methylphenyl)-5-hydroxy-3-hepten-2-one
(3Z)-9-methyldec-3-en-1-yl hydrogen sulfate
A sulfuric ester obtained by the formal condensation of (3Z)-9-methyldec-3-en-1-ol with sulfuric acid.
N,N-dihydroxypentahomomethioninate
Conjugate base of N,N-dihydroxypentahomomethionine.
(3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate
A sulfuric ester obtained by the formal condensation of (3S,4E)-3-methyldec-4-en-1-ol with sulfuric acid.
2-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoic acid
Trimethylsilyl 2-(2-(2-methoxyethoxy)ethoxy)acetate
2-(Trimethylsilylthio)propionic acid trimethylsilyl ester
Ubiquinone-1
A compound composed of the standard 2,3-dimethoxy-5-methylbenzoquinone nucleus common to ubiquinones; and a side chain of a single isoprenoid unit. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
7-Deaza-2',3'-dideoxyguanosine
7-Deaza-2',3'-dideoxyguanosine (7-Deaza-ddG) is a 2′,3′-dideoxynucleoside 5′-triphosphate, which can inhibit HIV-1 reverse transcriptase with a Ki of 25 nM[1].
AA38-3
AA38-3 is a serine hydrolase (SH) inhibitor. AA38-3 can inhibit three SHs, ABHD6, ABHD11, and FAAH[1].
SIRT1-IN-2
SIRT1-IN-2 (compound 3h) is a potent and selective SIRT1 (silent information regulator 1) inhibitor, with an IC50 of 1.6 μM[1].
6-hydroxy-8a-methyl-3-methylidene-octahydronaphtho[2,3-b]furan-2,5-dione
(2'r,5s,6s)-5-hydroxy-2'-(2-hydroxypropan-2-yl)-2-methyl-4,5-dihydrospiro[1-benzofuran-6,1'-cyclopropan]-7-one
(2s)-2-hydroxy-4-methyl-2-[(1s)-1,2,2-trimethyl-4-oxocyclopentyl]cyclopent-4-ene-1,3-dione
6-[1-(2,3-dimethyloxiran-2-yl)prop-1-en-2-yl]-4-methoxy-3-methylpyran-2-one
6-[(1z)-1-[(2s,3s)-2,3-dimethyloxiran-2-yl]prop-1-en-2-yl]-4-methoxy-3-methylpyran-2-one
ethyl 4-hydroxy-3-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]benzoate
(2s)-7-hydroxy-2-(3-hydroxypropyl)-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one
methyl (2s)-2-(carbamoylformamido)-3-phenylpropanoate
5-hydroxy-2'-(2-hydroxypropan-2-yl)-2-methyl-4,5-dihydrospiro[1-benzofuran-6,1'-cyclopropan]-7-one
6-(1-hydroxypropyl)-1,3-dimethylpteridine-2,4-dione
(3r)-10,12-dihydroxy-3-methyl-3,4,5,6,7,8-hexahydro-2-benzoxecin-1-one
3a-hydroxy-2-(2-hydroxypropan-2-yl)-5-(prop-2-en-1-yl)-2,3-dihydro-1-benzofuran-6-one
(2s,3s)-6-[(1r)-1,2-dihydroxyethyl]-3-hydroxy-2,5,7-trimethyl-2,3-dihydroinden-1-one
(2s,4z)-7-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]-2-[(1e)-prop-1-en-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
1-{2,6-dihydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}propan-1-one
(1e,3s,4s,5e)-1-[3-hydroxy-2-(hydroxymethyl)phenyl]hepta-1,5-diene-3,4-diol
2-hydroxy-3-methoxy-4-methyl-5-(3-methylbut-2-en-1-yl)benzoic acid
4-hydroxy-9,13-dimethyl-6,14-dioxatetracyclo[8.4.0.0¹,¹³.0³,⁷]tetradec-3-en-5-one
[(2r)-2-(2-hydroxy-4-methylphenyl)oxiran-2-yl]methyl 2-methylpropanoate
(2s,4z,7s,8s)-7-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]-2-[(1e)-prop-1-en-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
2,3-dimethoxy-6-(2-methylprop-1-en-1-yl)phenyl acetate
2,7-diethyl-2,3,8-trihydroxy-3,4-dihydronaphthalen-1-one
(1r,2s,3r,5s)-3-(6-hydroxypurin-9-yl)-5-methylcyclopentane-1,2-diol
2,7-dihydroxy-1-methyl-5-vinylphenanthrene
{"Ingredient_id": "HBIN005007","Ingredient_name": "2,7-dihydroxy-1-methyl-5-vinylphenanthrene","Alias": "NA","Ingredient_formula": "C17H14O2","Ingredient_Smile": "CC1=C(C=CC2=C1C=CC3=CC(=CC(=C32)C=C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6045","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2R,3S)- pterosin Q
{"Ingredient_id": "HBIN006502","Ingredient_name": "(2R,3S)- pterosin Q","Alias": "NA","Ingredient_formula": "C14H18O4","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)C)C(CO)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41785","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2R,3S)- pterosin S
{"Ingredient_id": "HBIN006503","Ingredient_name": "(2R,3S)- pterosin S","Alias": "NA","Ingredient_formula": "C14H18O4","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)CO)CCO)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41786","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
