Exact Mass: 278.1360982
Exact Mass Matches: 278.1360982
Found 500 metabolites which its exact mass value is equals to given mass value 278.1360982,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dibutyl phthalate
Di-n-phtalate is a manufactured chemical that does not occur naturally. It is an odorless and oily liquid that is colorless to faint yellow in color. It is slightly soluble in water and does not evaporate easily. Di-n-phtalate is used to make plastics more flexible and is also in carpet backings, paints, glue, insect repellents, hair spray, nail polish, and rocket fuel. N-butyl phthalate is a colorless oily liquid. It is insoluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. Since it is a liquid it can easily penetrate the soil and contaminate groundwater and nearby streams. It is combustible though it may take some effort to ignite. It is used in paints and plastics and as a reaction media for chemical reactions. Dibutyl phthalate is a phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans. It has a role as an environmental contaminant, a teratogenic agent, a plasticiser, a metabolite and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a phthalate ester and a diester. It is functionally related to a butan-1-ol. Dibutyl phthalate is used in making flexible plastics that are found in a variety of consumer products. It appears to have relatively low acute (short-term) and chronic (long-term) toxicity. No information is available regarding the effects in humans from inhalation or oral exposure to dibutyl phthalate, and only minimal effects have been noted in animals exposed by inhalation. No studies are available on the reproductive, developmental, or carcinogenic effects of dibutyl phthalate in humans. Animal studies have reported developmental and reproductive effects from oral exposure. EPA has classified dibutyl phthalate as a Group D, not classifiable as to human carcinogenicity. Dibutyl phthalate is a natural product found in Scutellaria amoena, Eleutherococcus sessiliflorus, and other organisms with data available. Dibutyl phthalate is found in cloves. DBP was added to the California Proposition 65 (1986) list of suspected teratogens in November 2006. It is a suspected endocrine disruptor. It was used in some nail polishes; all major producers began eliminating this chemical from nail polishes in the Fall of 2006. Dibutyl phthalate (DBP) is a commonly used plasticizer. It is also used as an additive to adhesives or printing inks. It is soluble in various organic solvents, e.g. in alcohol, ether and benzene. DBP is also used as an ectoparasiticide. A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure. DBP was added to the California Proposition 65 (1986) list of suspected teratogens in November 2006. It is a suspected endocrine disruptor. It was used in some nail polishes; all major producers began eliminating this chemical from nail polishes in the Fall of 2006.; Dibutyl phthalate (DBP) is a commonly used plasticizer. It is also used as an additive to adhesives or printing inks. It is soluble in various organic solvents, e.g. in alcohol, ether and benzene. DBP is also used as an ectoparasiticide. Dibutyl phthalate is found in kohlrabi and cloves. Dibutyl phthalate is found in cloves. DBP was added to the California Proposition 65 (1986) list of suspected teratogens in November 2006. It is a suspected endocrine disruptor. It was used in some nail polishes; all major producers began eliminating this chemical from nail polishes in the Fall of 2006. Dibutyl phthalate (DBP) is a commonly used plasticizer. It is also used as an additive to adhesives or printing inks. It is soluble in various organic solvents, e.g. in alcohol, ether and benzene. DBP is also used as an ectoparasiticide. A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans. P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents D010968 - Plasticizers ATC code: P03BX03 CONFIDENCE standard compound; INTERNAL_ID 823; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10079; ORIGINAL_PRECURSOR_SCAN_NO 10075 CONFIDENCE standard compound; INTERNAL_ID 823; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10082; ORIGINAL_PRECURSOR_SCAN_NO 10080 CONFIDENCE standard compound; INTERNAL_ID 823; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10083; ORIGINAL_PRECURSOR_SCAN_NO 10080 CONFIDENCE standard compound; INTERNAL_ID 823; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10016; ORIGINAL_PRECURSOR_SCAN_NO 10013 CONFIDENCE standard compound; INTERNAL_ID 823; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10065; ORIGINAL_PRECURSOR_SCAN_NO 10063 CONFIDENCE standard compound; INTERNAL_ID 823; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10036; ORIGINAL_PRECURSOR_SCAN_NO 10031 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3670 EAWAG_UCHEM_ID 3670; CONFIDENCE standard compound INTERNAL_ID 4180; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 4180 CONFIDENCE standard compound; INTERNAL_ID 8224 CONFIDENCE standard compound; INTERNAL_ID 199
Monoethylhexyl phthalic acid
Monoethylhexyl phthalic acid (MEHP) is an active metabolite of Bis(2-ethylhexyl)phthalate (DEHP). DEHP measured from the blood of pregnant women have been significantly associated with the decreased penis width, shorter anogenital distance, and the incomplete descent of testes of their newborn sons, replicating effects identified in animals(Wikipedia). DEHP hydrolyzes to MEHP via the enzyme Bis(2-ethylhexyl)phthalate acylhydrolase(3.1.1.60)and subsequently to phthalate salts. The released alcohol is susceptible to oxidation to the aldehyde and carboxylic acid. Monoethylhexyl phthalic acid (MEHP) is an active metabolite of Bis(2-ethylhexyl)phthalate (DEHP). DEHP measured from the blood of pregnant women have been significantly associated with the decreased penis width, shorter anogenital distance, and the incomplete descent of testes of their newborn sons, replicating effects identified in animals. DEHP hydrolyzes to MEHP via the enzyme Bis(2-ethylhexyl)phthalate acylhydrolase(3.1.1.60)and subsequently to phthalate salts. The released alcohol is susceptible to oxidation to the aldehyde and carboxylic acid. [HMDB] CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10026; ORIGINAL_PRECURSOR_SCAN_NO 10023 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4968; ORIGINAL_PRECURSOR_SCAN_NO 4967 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4980; ORIGINAL_PRECURSOR_SCAN_NO 4979 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4973; ORIGINAL_PRECURSOR_SCAN_NO 4971 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9948; ORIGINAL_PRECURSOR_SCAN_NO 9944 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9960; ORIGINAL_PRECURSOR_SCAN_NO 9957 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9947; ORIGINAL_PRECURSOR_SCAN_NO 9946 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9930; ORIGINAL_PRECURSOR_SCAN_NO 9925 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4975; ORIGINAL_PRECURSOR_SCAN_NO 4972 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4995; ORIGINAL_PRECURSOR_SCAN_NO 4994 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4973; ORIGINAL_PRECURSOR_SCAN_NO 4969 Phthalic acid mono-2-ethylhexyl ester (MEHP) is a major bioactive metabolite of diethylhexyl phthalate (DEHP), which inhibits the 17, 20 lyase activity of CYP17[1]. Phthalic acid mono-2-ethylhexyl ester (MEHP) is a major bioactive metabolite of diethylhexyl phthalate (DEHP), which inhibits the 17, 20 lyase activity of CYP17[1].
OXADIXYL
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3100 CONFIDENCE standard compound; INTERNAL_ID 525; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7509; ORIGINAL_PRECURSOR_SCAN_NO 7506 CONFIDENCE standard compound; INTERNAL_ID 525; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7589; ORIGINAL_PRECURSOR_SCAN_NO 7585 CONFIDENCE standard compound; INTERNAL_ID 525; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7575; ORIGINAL_PRECURSOR_SCAN_NO 7571 CONFIDENCE standard compound; INTERNAL_ID 525; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7572; ORIGINAL_PRECURSOR_SCAN_NO 7568 CONFIDENCE standard compound; INTERNAL_ID 525; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7583; ORIGINAL_PRECURSOR_SCAN_NO 7581 CONFIDENCE standard compound; INTERNAL_ID 525; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7621; ORIGINAL_PRECURSOR_SCAN_NO 7618
Pentoxifylline
Pentoxifylline is only found in individuals that have used or taken this drug. It is a methylxanthine derivative that inhibits phosphodiesterase and affects blood rheology. It improves blood flow by increasing erythrocyte and leukocyte flexibility. It also inhibits platelet aggregation. Pentoxifylline modulates immunologic activity by stimulating cytokine production. [PubChem]Pentoxifylline inhibits erythrocyte phosphodiesterase, resulting in an increase in erythrocyte cAMP activity. Subsequently, the erythrocyte membrane becomes more resistant to deformity. Along with erythrocyte activity, pentoxifylline also decreases blood viscosity by reducing plasma fibrinogen concentrations and increasing fibrinolytic activity. It is also a non selective adenosine receptor antagonist. C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AD - Purine derivatives COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D020011 - Protective Agents > D011837 - Radiation-Protective Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; INTERNAL_ID 8614 CONFIDENCE standard compound; INTERNAL_ID 2267 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Diisobutyl phthalate
Di-(2-methylpropyl)-phthalate, also known as dibp or isobutyl phthalate, is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Di-(2-methylpropyl)-phthalate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Di-(2-methylpropyl)-phthalate can be found in kohlrabi, which makes di-(2-methylpropyl)-phthalate a potential biomarker for the consumption of this food product. Di-(2-methylpropyl)-phthalate can be found primarily in urine. Di-(2-methylpropyl)-phthalate is a non-carcinogenic (not listed by IARC) potentially toxic compound. Phthalate esters are endocrine disruptors. Animal studies have shown that they disrupt reproductive development and can cause a number of malformations in affected young, such as reduced anogenital distance (AGD), cryptorchidism, hypospadias, and reduced fertility. The combination of effects associated with phthalates is called phthalate syndrome’ (A2883) (T3DB). DIBP is an odorless plasticizer and has excellent heat and light stability. It is the lowest cost plasticizer for cellulose nitrate. DIBP has lower density and freezing point than DBP (dibutyl phthalate, CAS No.: 84-74-2). It has similar properties as dibutyl phthalate and can be used as a substitute for it. CONFIDENCE standard compound; INTERNAL_ID 1189; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10016; ORIGINAL_PRECURSOR_SCAN_NO 10013 CONFIDENCE standard compound; INTERNAL_ID 1189; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10059; ORIGINAL_PRECURSOR_SCAN_NO 10056 CONFIDENCE standard compound; INTERNAL_ID 1189; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10032; ORIGINAL_PRECURSOR_SCAN_NO 10030 CONFIDENCE standard compound; INTERNAL_ID 1189; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10082; ORIGINAL_PRECURSOR_SCAN_NO 10080 CONFIDENCE standard compound; INTERNAL_ID 1189; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9953; ORIGINAL_PRECURSOR_SCAN_NO 9950 CONFIDENCE standard compound; INTERNAL_ID 1189; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9952; ORIGINAL_PRECURSOR_SCAN_NO 9950
Pantetheine
Pantetheine is the mercaptoethyl conjugated amide analogue of pantothenic acid (Vitamin B5). The dimer of this compound, pantethine is more commonly known, and is considered to be a more potent form of vitamin B5 than pantothenic acid. Pantetheine is an intermediate in the production of Coenzyme A by the body. An intermediate in the pathway of coenzyme A formation in mammalian liver and some microorganisms. Pantetheine is the mercaptoethyl conjugated amide analogue of pantothenic acid (Vitamin B5). The dimer of this compound, pantethine is more commonly known, and is considered to be a more potent form of vitamin B5 than pantothenic acid. Pantetheine is an intermediate in the production of Coenzyme A by the body. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole
N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole is an intermediate in riboflavin metabolism. It is converted from N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole via dephosphorylation by the enzyme phosphohistidine phosphatase 1 (EC 3.1.3.-). Humans do not have all the enzymes needed to synthesize or metabolize riboflavin. However, gut microflora do have the necessary enzymatic machinery to produce and metabolize this vitamin. Riboflavin (or vitamin B2) is an easily absorbed micronutrient with a key role in maintaining health in humans and animals. It is the central component of the cofactors FAD and FMN, and is therefore required by all flavoproteins. Riboflavin is yellow or yellow-orange in color and in addition to being used as a food coloring it is also used to fortify some foods including baby foods, breakfast cereals, pastas, sauces, processed cheese, fruit drinks, vitamin-enriched milk products, some energy drinks, and vitamin supplements. [HMDB] N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole is an intermediate in riboflavin metabolism. It is converted from N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole via dephosphorylation by the enzyme phosphohistidine phosphatase 1 (EC 3.1.3.-). Humans do not have all the enzymes needed to synthesize or metabolize riboflavin. However, gut microflora do have the necessary enzymatic machinery to produce and metabolize this vitamin. Riboflavin (or vitamin B2) is an easily absorbed micronutrient with a key role in maintaining health in humans and animals. It is the central component of the cofactors FAD and FMN, and is therefore required by all flavoproteins. Riboflavin is yellow or yellow-orange in color and in addition to being used as a food coloring it is also used to fortify some foods including baby foods, breakfast cereals, pastas, sauces, processed cheese, fruit drinks, vitamin-enriched milk products, some energy drinks, and vitamin supplements.
(6E)-1-(4-hydroxyphenyl)-7-phenylhepta-4,6-dien-3-one
Prolyl-Tyrosine
Prolyl-Tyrosine is a dipeptide composed of proline and tyrosine. 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.
alpha-CEHC
alpha-Carboxyethyl hydrochroman (alpha-CEHC) has been identified as a major water-soluble metabolite of vitamin E, which circulates in the blood and is excreted in the urine (PMID: 12420750). About one-third of the alpha-CEHC circulating in the blood is present as alpha-CEHC glucuronide (PMID: 10552913). 2,5,7,8-tetramethyl-2-(2-carboxyethyl)-6-hydroxychroman (alpha-CEHC) has been identified as a major water-soluble metabolite of vitamin E, which circulates in the blood and is excreted with the urine. (PMID 12420750) [HMDB]
Phenylalanylhydroxyproline
Phenylalanylhydroxyproline is a proteolytic breakdown product of collagen. It belongs to the family of peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by the formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of collagen. [HMDB]
Tyrosyl-Proline
Tyrosyl-Proline is a dipeptide composed of tyrosine and proline. 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.
4'-Hydroxymethohexital
2,5,7,8-Tetramethyl-2-(2'-carboxyethyl)-6-hydroxychroman
Adibendan
C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
Proquazone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Musk moskene
Flavouring compound [Superscent]
2-[4-Methyl-2-(2-methylpropoxy)phenyl]-oxiranemethanol acetate
4alpha,5alpha-Epoxy-3-oxo-4(15)-dihydrocostic acid methyl ester
Ivangulin
1,5-dihydroxy-1-isopropyl-6-methoxy-4,7-dimethyl-tetralin-2-one
Emmotin A
5,5-dibutoxy-2,2-bifuran
A ring assembly that consists of 2,2-bifuran substituted by butoxy groups at positions 5 and 5 respectively. It is isolated from the aerial parts of Chrysanthemum coronarium and acts as an inhibitor of human AcylCoA:cholesterol acyltransferase hACAT-1 and hACAT-2.
8-methoxy-9-O-angeloylthymol
A natural product found in Eupatorium cannabinum subspecies asiaticum.
Demexiptiline
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant
Methyl 2-hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Lomifylline
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
1-[2,6-dihydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl]-2-methyl-1-propanone
1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-2-methyl-1-propanone
(3aS,5aR,7S,9aS,9bR)-9b-methyl-1-oxo-1,3,3a,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-7-ylmethyl acetate|oblongolide G
1,10-epoxy-8alpha-methoxyeremophilanolide|1beta,10beta-epoxy-8alpha-methoxyeremophil-1,7(11)-en-12,8beta-olide
(E)-2-(4-methoxyphenyl)-3-methyl-5-(prop-1-enyl)benzo[b]furan|2-(4-methoxyphenyl)-3-methyl-5-(E)-propenylbenzofuran|2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]benzo[b]furan|eupomatenoid-15
2-Methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]butan-1-one
6alpha-methoxy-3-oxo-pinguis-5(10)-ene-11,6-olide|Me ester-6-Hydroxy-3-oxo-5(10)-pinguisen-11, 6-olide
((R)-10-methanesulfinyl-decyl)-thiourea|((R)-10-Methansulfinyl-decyl)-thioharnstoff|(-)-N-<10-Methylsulfinyl-decyl>-thioharnstoff|(R)-1-(10-Methylsulfinyldecyl)-thioharnstoff|N-[10-(omega-Methylsulfinyl)-decyl]-thioharnstoff
1-(3,4-dihydro-5-hydroxy-7-methoxy-2,2-dimethyl-2 h -1-benzopyran-6-yl)-2-methyl-1-propanone
1-Acetoxy-2-isopropenyl-3-methylen-4-isobutyryloxy-cyclohexen-(5)
1beta-hydroxy-6(7),9(10)-dien-8-on-eremophila-12-acid methyl ester
(4S,4aR,5S,9aR)-4a,5,6,7,9,9a-hexahydro-4-hydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|6beta-hydroxy-8alpha-methoxyeremophila-(10),7(11)-dien-12,8beta-olide|6beta-hydroxy-8alpha-methoxyeremophila-1(10),7(11)-dien-12,8beta-olide|6??-Hydroxy-8??-methoxyeremophila-1(10),7(11)-dien-12,8??-olide|8-Me ether-6,8-Dihydroxy-1(10),7(11)-eremophiladien-12,8-olide
3,8,8-Trimethyl-4,5-dihydrophenanthro[10,1-bc]pyran-9(8H)-one
5,6,7,8-Tetramethyl-phenanthren-9-carbonsaeure|5,6,7,8-tetramethyl-phenanthrene-9-carboxylic acid
2,2-Dimethyl-5,7-dimethoxy-6-(1-methoxyethyl)-2H-1-benzopyran
1beta-hydroxy-8alpha-methoxyeremophil-7(11),9-dien-8beta,12-olide
1,4-Dimethyl-2-hydroxy-2-(4-methoxybenzyl)piperazine-3,6-dione
(Sp)-1,11-Dioxa-[11]paracyclophan-13-carbonsaeure|(sp)-1,11-dioxa-[11]paracyclophane-13-carboxylic acid
1-(3,4-dihydro-5-hydroxy-7-methoxy-2,2-dimethyl-2 h -1-benzopyran-8-yl)-2-methyl-1-propanone
1-O-acetylbritannilactone|1-O-acetylbritannilatone
Isobutyric acid 2-(2-acetoxy-1-methylethyl)-5-methylphenyl ester
3,7-Dihydro-3,7-dimethyl-6-[(5-oxohexyl)oxy]-2H-purin-2-one
2,4,6-Trihydroxy-2-methylbutyrophenon-4-O-3,3-dimethylallylether
(1alphaR,3R,4R,4alphaR,8alphaR,9alphaS)-3-methoxy-4,4alpha,6-trimethyl-1alpha,2,3,4,4alphaR,8alpha,9-octahydro-7H-oxirene[8,8alpha]naphtho[2,3beta]furan-7-one|daphnelnoid A
5alpha-Hydroxy-2alpha-methoxy-1(10), 3-guaiadien-12, 6alpha-olide|5alpha-hydroxy-2alpha-methoxy-11alphaH-guaia-1(10),3-dien-12,6alpha-olide
14-methyl hydrogen 12-hydroxydrim-8-ene-11,14-diate 11,12-lactone|polygonumate
(E )-7-(2-hydroxy-4-(hydroxymethyl)phenyl)-2-methyloct-6-enoic acid
(+)-7-dehydro-BFA|13-oxobrefeldin|7-dehydrobrefeldin A|7-Ketobrefeldin|7-oxo-brefeldin-A|7-oxobrefeldin A|TX-1852
(2R)-1-[2,6-dimethoxy-4-(prop-2-enyl)phenoxy]-3-methylbut-3-en-2-ol|lenisin B
3-Methyl-2-butenoic acid 2-(1-methyl-1-methoxy-2-hydroxyethyl)-5-methylphenyl ester
6-Oxo-8alpha-methoxyepieremophilenolid|6-oxoeremophilenolide|8alpha-methoxy-6-oxoeremophil-7(11)-en-12,8-olide
2-(4-Methoxyphenyl)-3-methyl-5-(2-propenyl)benzofuran
(4aR,6S,8aR,9aS)-6-hydroxyfurodysinin-O-methyl lactone
2,2-Dimethyl-5,7-dimethoxy-8-(1-methoxyethyl)-2H-1-benzopyran
(1S,4aS,8R,8aR)-4a,5,6,7,8,8a-hexahydro-8-hydroxy-5,5,8a-trimethylspiro[furan-2(5H),1(2H)-naphthalene]-35(4H)-dione|(1R,5S,9S,10R)-1beta-hydroxy-7-oxo-14-nor-13,14-secopodocarp-11-en-13,9a-olactone|cryptomelactone A
2alpha-methoxy-6-oxogermacra-1(10),7(11)-dien-8,12-olide|5,6,7,8,11,11a-hexahydro-8-methoxy-3,6,10-trimethylcyclodeca[b]furan-2,4-dione
(1S,4aS,6S,8aS)-4a,5,6,7,8,8a-hexahydro-6-hydroxy-5,5,8a-trimethylspiro[furan-2(5H),1(2H)-naphthalene]-35(4H)-dione|(3S,5S,9S,10S)-3beta-hydroxy-7-oxo-14-nor-13,14-secopodocarp-11-en-13,9a-olactone|cryptomelactone B
ButylIsobutylPhthalate
Butyl isobutyl phthalate is a natural product found in Houttuynia cordata, Cryptotaenia canadensis, and Perilla frutescens var. hirtella with data available. Butyl isobutyl phthalate is isolated from the rhizoid of Laminaria japonica. Butyl isobutyl phthalate is a non-competitive α-glucosidase inhibitor with an IC50 value of 38 μM. Butyl isobutyl phthalate shows a hypoglycemic effect and has the potential for diabetes treatment[1]. Butyl isobutyl phthalate is isolated from the rhizoid of Laminaria japonica. Butyl isobutyl phthalate is a non-competitive α-glucosidase inhibitor with an IC50 value of 38 μM. Butyl isobutyl phthalate shows a hypoglycemic effect and has the potential for diabetes treatment[1].
1,7-Diphenyl-5-hydroxy-4,6-hepten-3-one
1,7-Diphenyl-5-hydroxy-4,6-hepten-3-one is a natural product found in Alpinia hainanensis with data available.
Bz-Arg-OH
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.291 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.292 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.285 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.288
C16H22O4_(1R,2E,6S,10E,11aS,14aR)-1-Hydroxy-6-methyl-6,7,8,9,11a,12,14,14a-octahydro-4H-cyclopenta[f]oxacyclotridecine-4,13(1H)-dione
pentoxifylline
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AD - Purine derivatives COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D020011 - Protective Agents > D011837 - Radiation-Protective Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Pro-tyr
A dipeptide formed from L-proline and L-tyrosine residues.
tert-Butyl 7-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate
2-(2-(Ethylthiomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C15H23BO2S (278.15117280000004)
1,2-Propanediol,2,2-dimethyl-1,3-propanediol,2,5-furandione polymer
tert-Butyl 4-guanidinopiperidine-1-carboxylate hydrochloride
[4-(4-METHOXY-PHENYL)-2,2-DIMETHYL-TETRAHYDRO-PYRAN-4-YL]-ACETIC ACID
2,2-Difluoro-3-[(2-methyl-1-oxo-2-propen-1-yl)oxy]pentanoic acid 1,1-dimethylethyl ester
2-(3-METHOXY-BENZYL)-3-OXO-HEXANOIC ACID ETHYL ESTER
5-(1-methylpiperidin-4-ylidene)chromeno[2,3-b]pyridine
tert-Butyl 7-nitro-3,4-dihydroquinoline-1(2H)-carboxylate
methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
TERT-BUTYL (1-(METHYLSULFONYL)PIPERIDIN-4-YL)CARBAMATE
Propanedioic acid,2-[[(6-methyl-2-pyridinyl)amino]methylene]-, 1,3-diethyl ester
4-CarboxyMethyl-piperazine-1-carboxylic acid benzyl ester
4-(2-TERT-BUTOXYCARBONYLAMINO-2-IMINO-ETHYL)-BENZOIC ACID
2-(4-(Ethylthiomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C15H23BO2S (278.15117280000004)
Methyl 4-(N-(tert-butoxycarbonyl)carbaMiMidoyl)benzoate
5-(Benzyloxy)-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine
Dicyclopentenyloxyethyl-2-methacrylate (mixture of isomers, stabilised)
[3-(TERT-BUTOXYCARBONYLAMINO-IMINO-METHYL)-PHENYL]-ACETIC ACID
tert-butyl6-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate
Carbamic acid, cyclohexyl-, (2-nitrophenyl)methyl ester (9CI)
1-benzyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium,chloride
N-Methyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Amprolium
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
(R)-1-Benzyl 2-methyl piperazine-1,2-dicarboxylate
5-oxo-DL-proline, compound with 2,2,2-nitrilotriethanol (1:1)
5-tert-butyl-2-[2-(4-fluorophenoxy)ethyl]-4H-pyrazol-3-one
(4-((2-Morpholinoethyl)carbamoyl)phenyl)boronic acid
tert-butyl 2-[(4R,6S)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
(3-Glycidoxypropyl)triethoxysilane
C12H26O5Si (278.15494259999997)
Propanedioicacid, 2-[[(5-methyl-2-pyridinyl)amino]methylene]-, 1,3-diethyl ester
1,2-Benzenedicarboxylicacid, 1-(1-methylheptyl) ester
4-[4-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzonitrile
2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
1,3,7-TRIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE
(R)-4-N-Cbz-Piperazine-2-carboxylic acid methyl ester
6-(TERT-BUTOXYCARBONYL)-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE-2-CARBOXYLIC ACID
2-(Methoxycarbonylamino)pyridine-5-boronic acid pinacol este
3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Methyl 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
7-[(tert-butoxy)carbonyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylic acid
TERT-BUTYL 5-NITRO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
Propanedioic acid,2-[[(4-methyl-2-pyridinyl)amino]methylene]-, 1,3-diethyl ester
tert-butyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
3-Nitro-4-(Cyclohexylamino) Benzoic Acid Methyl Ester
4-(3-endo-Hydroxy-8-azabicyclo(3.2.1)oct-8-yl)naphthalene-1-carbonitrile
3-Methyl-1-(2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl)butan-1-one
1-(Diethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
(1S,2S,3E,7R,11E,13R)-2-Hydroxy-7-methyl 6-oxabicyclo[11.3.0]hexadecane-3,11-diene-5,15-dione
5-Imino-1-phenyl-4-(phenylhydrazinylidene)-3-pyrazolamine
2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole
N-(4-methylphenyl)-6-(1-pyrazolyl)-3-pyridinecarboxamide
(2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene
[(4R)-2,2-Dimethyl-1,3-dioxolan-4-YL]methyl hydrogen hex-5-enylphosphonate
[(4S)-2,2-Dimethyl-1,3-dioxolan-4-YL]methyl hydrogen hex-5-enylphosphonate
Proquazone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Elaol
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents D010968 - Plasticizers
(4E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-4,6-dien-3-one
2-Benzamido-5-(diaminomethylideneazaniumyl)pentanoate
2-[[(2R)-2-amino-3-(4-hydroxy-2-methylpentan-2-yl)sulfanylpropanoyl]amino]acetic acid
(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl-[(4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]azanium
C12H16N5O3+ (278.12530860000004)
(S)-1-Methylhexyl Caffeate
An alkyl caffeate ester obtained by the formal condensation of trans-caffeic acid with heptan-2-ol. It has been isolated from the leaves of Piper sanguineispicum.
7-methyl-2-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
1-(1-Methylethyl)-3-(Pyridin-3-Ylethynyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
Queuine(1+)
C12H16N5O3+ (278.12530860000004)
An organic cation that is the conjugate acid of queuine, obtained by protonation of the secondary amino group; major species at pH 7.3.
2-(4-Methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole
2-Propyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
6-tert-butyl-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
3-Methyl-2-methylene-1,5-diphenylpentane-1,5-dione
1-(2-Methyl-6-propan-2-ylphenyl)-5-phenyltetrazole
4,8-dimethyl-1-(phenylmethyl)-3H-1,5-benzodiazepin-2-one
8-methoxy-2-methyl-N-(2-methylphenyl)-4-quinolinamine
7-Methyl-3-(phenylhydrazo)-1,5-benzodiazepin-2-one
N-[(E)-furan-2-ylmethylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
N-[(2-methoxy-1-naphthalenyl)methyl]-1-(2-pyridinyl)methanamine
2-Amino-4-(((3-carbamoyl-1,2,4-oxadiazol-5-yl)methyl)amino)-6-isopropylpyrimidin-1-ium
(3R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyhexanoic acid
(3R,5R)-5-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyhexanoic acid
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,4-dimethylbenzamide
2-(4-Hydroxy-3-methylbut-2-en-1-yl)-4-(3-methylbut-2-en-1-yl)benzene-1,3,5-triol
2-[[3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl]benzene-1,3,5-triol
2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]benzene-1,3,5-triol
(2S)-2-amino-6-[[(3R,4R)-3,4,5-trihydroxy-2-oxopentyl]amino]hexanoic acid
5-Acetoxy-1-(2,6-dimetoxyphenyl)-3-methyl-2-pentene
2-(2-Acetoxyethyl)-3,4-dihydro2,5,7-trimethyl-2H-1-benzopyran-6-ol
UNII:FU2EWB60RT
Phthalic acid mono-2-ethylhexyl ester (MEHP) is a major bioactive metabolite of diethylhexyl phthalate (DEHP), which inhibits the 17, 20 lyase activity of CYP17[1]. Phthalic acid mono-2-ethylhexyl ester (MEHP) is a major bioactive metabolite of diethylhexyl phthalate (DEHP), which inhibits the 17, 20 lyase activity of CYP17[1].
Pantetheine
An amide obtained by formal condensation of the carboxy group of pantothenic acid and the amino group of cysteamine. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Monooctyl phthalate
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of octanol.
1-(2-Amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
DREADD agonist 21
DREADD agonist 21 is a potent human muscarinic acetylcholine M3 receptors (hM3Dq) agonist (EC50=1.7 nM)[1].
4-hydroxy-5-(hydroxymethyl)-6-methyl-3-[(2r)-6-methylhept-5-en-2-yl]cyclohexa-3,5-diene-1,2-dione
2-[(2s)-7-methoxy-5-[(1e)-3-methoxyprop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
(1r,3s,5s,6r,7s,10s)-5-hydroxy-3,7,10,12-tetramethyl-2,9-dioxatetracyclo[9.3.0.0¹,³.0⁶,¹⁰]tetradec-11-en-8-one
2-{2-[(3z)-6-(1-hydroxypropan-2-yl)oxan-3-ylidene]ethyl}benzene-1,4-diol
(1r,4r)-1,5-dihydroxy-1-isopropyl-6-methoxy-4,7-dimethyl-3,4-dihydronaphthalen-2-one
(1r,3r,9r,10r,11r,13s)-6-ethyl-11-hydroxy-9,10-dimethyl-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradec-6-en-5-one
(1r,3r,9r,10s,13s)-3-methoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradec-6-en-5-one
1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-methylpropan-1-one
(3s,5s,7r,8s)-3-methoxy-3,7,8,10-tetramethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-11-ol
methyl (4s)-4-[(3ar,7ar)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentanoate
1-(5,7-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-2-methylbutan-1-one
[(2s)-2-[4-methyl-2-(2-methylpropoxy)phenyl]oxiran-2-yl]methyl acetate
n-hydroxy(2e)-2-(n-hydroxyimino)-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}propanimidic acid
9,10-dihydroxy-4a,8,10b-trimethyl-2h,3h,8h,9h,10h,10ah-naphtho[2,1-b]pyran-1-one
(4s,4ar,5s,9ar)-4-hydroxy-9a-methoxy-3,4a,5-trimethyl-4h,5h,6h,7h,9h-naphtho[2,3-b]furan-2-one
2-hydroxy-5-(hydroxymethyl)-6-methyl-3-[(2r)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione
(3s,5r,7r,8s)-3-methoxy-3,7,8,10-tetramethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-11-ol
methyl 3,4-dihydroxy-5-[(1s)-1,2,2-trimethylcyclopentyl]benzoate
2-(4-methoxyphenyl)-3-methyl-5-(prop-1-en-1-yl)-1-benzofuran
4-hydroxy-9a-methoxy-3,4a,5-trimethyl-4h,5h,6h,7h,9h-naphtho[2,3-b]furan-2-one
(4s,4ar,5r,6s,8ar)-6-hydroxy-4-methoxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-9-one
(2r)-2-methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]butan-1-one
(4as,8s,10s,10as,10br)-10-hydroxy-8-(hydroxymethyl)-4a,10b-dimethyl-2h,3h,8h,9h,10h,10ah-naphtho[2,1-b]pyran-1-one
(1s)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-en-1-yl acetate
1-{2,6-dihydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-2-methylbutan-1-one
(2s,3r)-2-hydroxy-3-(2-hydroxypropan-2-yl)-8-(methoxymethyl)-5-methyl-3,4-dihydro-2h-naphthalen-1-one
2-[(2r,4r)-4-methyloxolan-2-yl]-5-[(2s,4r)-4-methyloxolan-2-yl]benzene-1,4-diol
(2r)-1-(5,7-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-8-yl)-2-methylbutan-1-one
3-methoxy-3,7,8,10-tetramethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-11-ol
(1s,2r,9r,10r)-10-hydroxy-2-methoxy-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.0²,⁶]tridec-5-en-4-one
7,10a-dimethyl-2-oxo-1h,4h,4ah,6ah,8h,9h,10h,10bh-naphtho[2,1-c]pyran-7-carboxylic acid
8-methoxy-3,6,10-trimethyl-5h,6h,7h,8h,11h,11ah-cyclodeca[b]furan-2,4-dione
1-heptyl-6,8-dihydroxy-1,4-dihydro-2-benzopyran-3-one
1,2-benzenedicacboxylic acid, bis(2-methylpropyl)ester
{"Ingredient_id": "HBIN000719","Ingredient_name": "1,2-benzenedicacboxylic acid, bis(2-methylpropyl)ester","Alias": "NA","Ingredient_formula": "C16H22O4","Ingredient_Smile": "CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41210","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,2-benzenedicarboxylic acid,butyi-2-methylpropyl ester
{"Ingredient_id": "HBIN000725","Ingredient_name": "1,2-benzenedicarboxylic acid,butyi-2-methylpropyl ester","Alias": "NA","Ingredient_formula": "C16H22O4","Ingredient_Smile": "CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42921","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1β,10β-epoxy-8α-methoxyeremophil-7(11)-en-12,8β-olide
{"Ingredient_id": "HBIN002335","Ingredient_name": "1\u03b2,10\u03b2-epoxy-8\u03b1-methoxyeremophil-7(11)-en-12,8\u03b2-olide","Alias": "NA","Ingredient_formula": "C16H22O4","Ingredient_Smile": "CC1CCC(C2=CC3(C(=C(C(=O)O3)C)CC12C)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7163","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(2-hydroxy-3-methylbutyl)-3,5,6-trimethyl-1,4-benzoquinone; ac
{"Ingredient_id": "HBIN003734","Ingredient_name": "2-(2-hydroxy-3-methylbutyl)-3,5,6-trimethyl-1,4-benzoquinone; ac","Alias": "NA","Ingredient_formula": "C16H22O4","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9078","PubChem_id": "NA","DrugBank_id": "NA"}
(3Z,6S,7R)-3-butylidene-6-butyryl-7-hydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one
{"Ingredient_id": "HBIN009766","Ingredient_name": "(3Z,6S,7R)-3-butylidene-6-butyryl-7-hydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one","Alias": "(3Z,6S,7R)-6-butanoyl-3-butylidene-7-hydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one; (3Z,6S,7R)-3-butylidene-7-hydroxy-6-(1-oxobutyl)-4,5,6,7-tetrahydroisobenzofuran-1-one; (3Z,6S,7R)-6-butanoyl-3-butylidene-7-hydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one","Ingredient_formula": "C16H22O4","Ingredient_Smile": "NA","Ingredient_weight": "278.34","OB_score": "3.414829307","CAS_id": "114569-34-5","SymMap_id": "SMIT04404","TCMID_id": "NA","TCMSP_id": "MOL002100","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9'-(3,4-methylenedioxy-phenyl)-nonanoicacid
{"Ingredient_id": "HBIN014020","Ingredient_name": "9'-(3,4-methylenedioxy-phenyl)-nonanoicacid","Alias": "NA","Ingredient_formula": "C16H22O4","Ingredient_Smile": "C1OC2=C(O1)C=C(C=C2)CCCCCCCCC(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14374","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
methyl 4-(6-methyl-4-oxohept-5-en-2-yl)-3-oxocyclohex-1-ene-1-carboxylate
(2s)-2-hydroxy-2-[7-(methylsulfanyl)heptyl]butanedioic acid
C12H22O5S (278.11878820000004)