Exact Mass: 262.1560288
Exact Mass Matches: 262.1560288
Found 500 metabolites which its exact mass value is equals to given mass value 262.1560288,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Helenalin
Helenalin is a sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3 (the 3aS,4S,4aR,7aR,8R,9aR stereoisomer). It has a role as an anti-inflammatory agent, an antineoplastic agent, a plant metabolite and a metabolite. It is a gamma-lactone, a cyclic ketone, an organic heterotricyclic compound, a sesquiterpene lactone and a secondary alcohol. Helenalin is a natural product found in Pentanema britannicum, Psilostrophe cooperi, and other organisms with data available. A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3 (the 3aS,4S,4aR,7aR,8R,9aR stereoisomer). D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D002316 - Cardiotonic Agents D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D002317 - Cardiovascular Agents D018501 - Antirheumatic Agents
Methohexital
Methohexital is only found in individuals that have used or taken this drug. It is an intravenous anesthetic with a short duration of action that may be used for induction of anesthesia. [PubChem]Methohexital binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AF - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
streptidine
C8H18N6O4 (262.13894680000004)
An amino cyclitol that is scyllo-inositol in which the hydroxy groups at positions 1 and 3 are replaced by guanidino groups.
Physovenine
Grosheimin
Origin: Plant; SubCategory_DNP: Sesquiterpenoids (3aR,4S,6aR,9S,9aR,9bR)-Octahydro-4-hydroxy-9-methyl-3,6-bis(methylene)azuleno[4,5-b]furan-2,8(3H,4H)-dione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=22489-66-3 (retrieved 2024-07-09) (CAS RN: 22489-66-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Parthenin
Etoglucid
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AG - Epoxides C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
Pentalenolactone E
A sesquiterpene lactone obtained by formal dehydrogenation of the 4-methyl position of pentalenolactone D.
Alnustone
Alnustone belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. Alnustone is found in herbs and spices. Alnustone is a constituent of Curcuma xanthorrhiza (Java turmeric). Alnustone is a diarylheptanoid. Alnustone is a natural product found in Alnus pendula, Alpinia hainanensis, and other organisms with data available. Alnustone, a non-phenolic diarylheptanoid found in herbs and spices, is a constituent of Alpiniae Katsumada. Alnustone displays anti-emetic and anti-inflammatory activities[1][2]. Alnustone, a non-phenolic diarylheptanoid found in herbs and spices, is a constituent of Alpiniae Katsumada. Alnustone displays anti-emetic and anti-inflammatory activities[1][2].
Prolylphenylalanine
Prolylphenylalanine is a dipeptide composed of proline and phenylalanine. 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. It is found in urine (PMID: 3782411).
Dihydrowyerol
Dihydrowyerol is found in pulses. Dihydrowyerol is a constituent of broad bean Vicia faba infected with Botrytis species. Constituent of broad bean Vicia faba infected with Botrytis subspecies Dihydrowyerol is found in pulses.
5,6-Dihydro-4-methoxy-6-[2-(4-methoxyphenyl)ethyl]-2H-pyran-2-one
5,6-Dihydro-4-methoxy-6-[2-(4-methoxyphenyl)ethyl]-2H-pyran-2-one is found in beverages. 5,6-Dihydro-4-methoxy-6-[2-(4-methoxyphenyl)ethyl]-2H-pyran-2-one is a constituent of Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002)
Dihydrosuberenol
Dihydrosuberenol is found in beverages. Dihydrosuberenol is isolated from Limonia acidissima (wood apple
Armexifolin
Armexifolin is found in herbs and spices. Armexifolin is isolated from Tanacetum vulgare (tansy Isolated from Tanacetum vulgare (tansy). Armexifolin is found in herbs and spices.
Isoleucyl-Methionine
Isoleucyl-Methionine is a dipeptide composed of isoleucine and methionine. 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.
Methionyl-Isoleucine
Methionyl-Isoleucine is a dipeptide composed of methionine and isoleucine. 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.
Phenylalanylproline
Phenylalanylproline is a dipeptide composed of phenylalanine 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. It is found in urine (PMID: 3782411).
Methylmalonylcarnitine
Methylmalonylcarnitine is an acylcarnitine. More specifically, it is an methylmalonic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Methylmalonylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine methylmalonylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular methylmalonylcarnitine is elevated in the blood or plasma of individuals with methylmalonyl-coa epimerase deficiency/methylmalonic acidemia (PMID: 27699154, PMID: 17279485), familial mediterranean fever (PMID: 29900937), and cobalamin C deficiency (PMID: 25367534). It is also decreased in the blood or plasma of individuals with melanoma (PMID: 30830422) and intracerebral hemorrhage (PMID: 29265114). Methylmalonylcarnitine is elevated in the urine of individuals with methylmalonyl-coa epimerase deficiency/methylmalonic acidemia (PMID: 27699154, PMID: 17279485). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Leucyl-Methionine
Leucyl-Methionine is a dipeptide composed of leucine and methionine. 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.
Methionyl-Leucine
Methionyl-Leucine is a dipeptide composed of methionine and leucine. 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.
Phaseolic acid
Phaseolic acid is found in pulses. Phaseolic acid is isolated from dry bean seeds (Phaseolus sp. Isolated from dry bean seeds (Phaseolus species). Phaseolic acid is found in pulses.
Glyceryl 5-hydroxydecanoate
Glyceryl 5-hydroxydecanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Enokipodin D
Enokipodin D is found in mushrooms. Enokipodin D is a constituent of Flammulina velutipes (velvet shank). Constituent of Flammulina velutipes (velvet shank). Enokipodin D is found in mushrooms.
4-Amino-3-hydroxybutanoylcarnitine
4-Amino-3-hydroxybutanoylcarnitine is an acylcarnitine. More specifically, it is an 4-amino-3-hydroxybutanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 4-Amino-3-hydroxybutanoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 4-Amino-3-hydroxybutanoylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Artemisin
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
Cibenzoline
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Helenalin
Homosalate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents C1892 - Chemopreventive Agent > C851 - Sunscreen D003879 - Dermatologic Agents D003358 - Cosmetics
Hymenin
Mepindolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Streptidine
C8H18N6O4 (262.13894680000004)
Jacquinelin
Jacquinelin, also known as 11,13-dihydro-8-deoxylactucin or jacquilenin, is a member of the class of compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Jacquinelin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Jacquinelin can be found in chicory and endive, which makes jacquinelin a potential biomarker for the consumption of these food products.
(11S,13)-Dihydro-8-deoxylactucin
(11s,13)-dihydro-8-deoxylactucin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (11s,13)-dihydro-8-deoxylactucin can be found in chicory, which makes (11s,13)-dihydro-8-deoxylactucin a potential biomarker for the consumption of this food product.
Taraxinic acid
Taraxinic acid, also known as taraxinate, belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Taraxinic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Taraxinic acid can be found in dandelion, which makes taraxinic acid a potential biomarker for the consumption of this food product.
Grosheimin
Grosheimin belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Grosheimin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Grosheimin is a bitter tasting compound found in globe artichoke, which makes grosheimin a potential biomarker for the consumption of this food product.
Austricin
Austricin is a member of the class of compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Austricin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Austricin can be found in german camomile and sweet bay, which makes austricin a potential biomarker for the consumption of these food products.
1ST169198
Matridin-15-one, 13,14-didehydro-, 1-oxide is a natural product found in Sophora viciifolia, Sophora alopecuroides, and other organisms with data available. Oxysophocarpine is an alkaloid extracted from Sophora alopecuroides.?Oxysophocarpine has neuroprotective and anti-nociceptive effects on the central and peripheral nervous systems[1]. Oxysophocarpine inhibits the?growth?and?metastasis?of ?oral?squamous?cell?carcinoma?(OSCC)[2]. Oxysophocarpine is an alkaloid extracted from Sophora alopecuroides.?Oxysophocarpine has neuroprotective and anti-nociceptive effects on the central and peripheral nervous systems[1]. Oxysophocarpine inhibits the?growth?and?metastasis?of ?oral?squamous?cell?carcinoma?(OSCC)[2].
Austricine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.760 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.761 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.759
Chloranthalactone E
Chloranthalactone E is a natural product found in Sarcandra glabra with data available.
[3aR-(3aalpha,8abeta,9aalpha)]-3a,7,8,8a,9,9a-Hexahydro-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione
Subcordatolide B
Tubipolide E
[3S-(3alpha,3aR*,4aalpha,6aalpha,9abeta,9balpha)]-5,6,6a,7,9a,9b-Hexahydro-3-hydroxy-1,4a-dimethyl-7-methylene-3H-oxireno[8,8a]azuleno[4,5-b]furan-8(4aH)-one
[3aR-(3aalpha,4beta,6aalpha,7beta,9aalpha,9balpha)]-3a,4,5,6,6a,7,9a,9b-Octahydro-4,7-dihydroxy-9-methyl-3,6-bis(methylene)-azuleno[4,5-b]furan-2(3H)-one
(E)-5-(2,6-Dimethyl-5,7-octadienyl)-3-furancarboxylic acid methyl ester
4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Strychnistenolide
[1R-(1alpha,4abeta,6alpha,8aalpha)]-1,2,4a,5,6,8a-Hexahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
Oxysophocarpine
Oxysophocarpine is an alkaloid extracted from Sophora alopecuroides.?Oxysophocarpine has neuroprotective and anti-nociceptive effects on the central and peripheral nervous systems[1]. Oxysophocarpine inhibits the?growth?and?metastasis?of ?oral?squamous?cell?carcinoma?(OSCC)[2]. Oxysophocarpine is an alkaloid extracted from Sophora alopecuroides.?Oxysophocarpine has neuroprotective and anti-nociceptive effects on the central and peripheral nervous systems[1]. Oxysophocarpine inhibits the?growth?and?metastasis?of ?oral?squamous?cell?carcinoma?(OSCC)[2].
(Z)-5-(2,6-Dimethyl-5,7-octadienyl)-3-furancarboxylic acid methyl ester
3-{[2-(carboxymethoxy)ethoxy]methyl}heptanoic acid
2,2,7-Trimethyl-3-hydroxy-4-isopropyl-6-methoxyindan-1-one
1-Isopropyl-6-methoxy-7-methyl-1,2,3,4-tetrahydro-1,4-(epoxymethano)naphthalene-5-ol
2-Hydroxy-5-(1,1,3,3-tetramethyl-butyl)-isophthalaldehyd|2-hydroxy-5-(1,1,3,3-tetramethyl-butyl)-isophthalaldehyde
(+)-(1R)-(2Z,4E)-4-Oxo-alpha-ionylideneacetic acid methyl ester|(+-)-Abscisin-methylester|(+/-)-1-deoxyabscisic acid methyl ester|4-Keto-2-cis-alpha-ionylidenessigsaeuremethylester|Abscissinsaeure-methylester|methyl 3-methyl-5-(4-oxo-2,6,6-trimethyl-2-cyclohexen-1-yl)-2(Z),4(E)-pentadienoate|methyl 3-methyl-5-(4-oxo-2,6,6-trimethylcyclohex-2-en-1(S)-yl)-2(Z),4(E)-pentadienoate
(1R,2S,4S,5S)-2-methoxy-5-[(1R)-1-phenyl-2-propenyl]-1,4-cyclohexanediol|(1S,2S,4S,5S)-2-methoxy-5-[(1R)-1-phenyl-2-propenyl]-1,4-cyclohexanediol
N-isopropyl-N-(7-methylsulfinyl-n-heptyl)urea
C12H26N2O2S (262.17148960000003)
(+)-O-methylfurodysinin lactone|O-methylfurodysinin lactone
[(1(10)E,2R,4R)]-2-Methoxy-8,12-epoxygemacra-1(10),7,11-trien-6-one
3beta,4beta-Dimethyl-7beta-(1-carbomethoxy-aethyl)-9,10-dehydro-decal-8-on
Methyl 12-oxo-8??-hydroxyabiet-13-en-19-oate|Methyl 8-oxo-??-humula-6E,9E-dien-12-oate|Methyl 8-oxo-??-humula-6E,9Z-dien-12-oate
2-(1,5-Dimethyl-4-hexenyl)-3-methoxy-5-methyl-1,4-benzoquinone
(7E,9Z,12Z)-6-ketohexadeca-7,9,12,15-tetraenoic acid
5-Hydroxy-2-methyoxy-15-calamenen-15-al|5-hydroxy-8-methoxy-calamenene-6-al
1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethane-1,2-diol
1-hydroxyherbertene-12-oic acid methyl ester|mastigophoric acid methyl ester|methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate
4beta-Methoxydehydrocostus lactone|4??-Methoxycostuslactone
(2R,3R)-2-heptyl-3,4-dihydroxyindan-1-one|paecilocin D
4beta-hydroxy-5beta,8beta(H)-guaia-1(10)Z,7(11)Z-dien-12,8-olide|chlospicate C
10alpha-hydroxy-1alpha,5alpha,8beta(H)-guaia-4(15),7(11)Z-dien-12,8-olide|chlospicate D
(R)-(-)-trimethylammonium (E)-5,9-dimethyldeca-3,8-dienyl sulfate|dimethylammonium (5R)-5,9-dimethyl-(3E)-3,8-decadienyl-1-sulfate|trimethylammonium (5R)-5,9-dimethyl-(3E)-3,8-decadienyl-1-sulfate
(4aR,5S,9aR)-4a,5,6,7,9,9a-hexahydro-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|8alpha-methoxyeremophila-1(10),7(11)-dien-12,8beta-olide
2-Oxo-3beta-(1-methoxycarbonylethyl)-5-methylen-8abeta-methyl-1.2.3.4.4aalpha.5.6.8a-octahydro-naphthalin
(+)-methyl 3-oxo-1alphaH,7alphaH,10alphaH-guaia-4,11-dien-12-oate|(+)-methyl pechueloate|methyl pechueloate|Pechueloic acid methylester
2-(1Z)-(3-hydroxy-3,7-dimethylocta-1,6-dienyl)-1,4-benzenediol|2-(2Z)-(3-hydroxy-3,7-dimethyloct-2,6-dienyl)-1,4-benzenediol
11-Oxo-tetrahydro-rhombifolin|3-but-3-enyl-octahydro-1,5-methano-pyrido[1,2-a][1,5]diazocine-4,6-dione
6-(1-Ethoxyethyl)-7-methoxy-2,2-dimethyl-2H-1-benzopyran
2-chloro-2,6,10-trimethylundecanoic acid
C14H27ClO2 (262.16994719999997)
(E)-2-Hexenyl Beta-D-Glucopyranoside|(E)-2-hexenyl beta-D-glucoside|(E)-2-hexenyl-beta-D-glucopyranoside|(E)-2-Hexenyl-??-D-glucopyranoside|erigeside B
2,2,7,7-Tetramethyl-2,3,4,7,8,9-hexahydrobenzo[1,2-b:4,5-b]dipyran-5-ol
2alpha-hydroxy-5alphaH-eudesma-4(15),11(13)-dien-12,8beta-olide
1-allyl-3,5-dimethoxy-4-(3-methyl-but-2-enyloxy)benzene
5-methyl-5-<2-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)vinyl>-2-tetrahydrofuranone|5-methyl-5-[2-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)vinyl]-2-tetrahydrofuranone
(1(10)E,2R*,4R*)-2-Methoxy-8,12-epoxygermacra-1(10),7,11-trien-6-one
C12H22O6_beta-D-Glucopyranoside, (3Z)-3-hexen-1-yl
Methohexital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AF - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
(2R,3R,4S,5S,6R)-2-[(Z)-hex-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1COOH-2But-A7EO1-OCH2COOH
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
(2R,3R,4S,5S,6R)-2-[(Z)-hex-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
Homosalate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents C1892 - Chemopreventive Agent > C851 - Sunscreen D003879 - Dermatologic Agents D003358 - Cosmetics
Ile-met
A dipeptide formed from L-isoleucine and L-methionine residues.
Leu-met
A dipeptide formed from L-leucine and L-methionine residues.
Met-ile
A dipeptide formed from L-methionine and L-isoleucine residues.
Met-Leu
A dipeptide formed from L-methionine and L-leucine residues.
Alnusone
Alnustone, a non-phenolic diarylheptanoid found in herbs and spices, is a constituent of Alpiniae Katsumada. Alnustone displays anti-emetic and anti-inflammatory activities[1][2]. Alnustone, a non-phenolic diarylheptanoid found in herbs and spices, is a constituent of Alpiniae Katsumada. Alnustone displays anti-emetic and anti-inflammatory activities[1][2].
ascr#12
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (5R)-5-hydroxyhexanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematodes Caenorhabditis elegans and Pristionchus pacificus.
oscr#12
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 6-hydroxyhexanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
3-(2,2-DIMETHYL-TETRAHYDRO-PYRAN-4-YL)-3-PHENYL-PROPIONIC ACID
Phenylacetic acid-4-boronic acid pinacol ester
C14H19BO4 (262.13763240000003)
2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
C14H19BO4 (262.13763240000003)
2-Amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
5-[4-(DIETHYLAMINO)PHENYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Dodecanoic acid,2-chloroethyl ester
C14H27ClO2 (262.16994719999997)
3-[4-(2-ETHOXYCARBONYL-ETHOXY)-BUTOXY]-PROPIONICACID
5-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
tert-Butyl 3-(hydroxymethyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
tert-butyl 3-(2-aminophenyl)pyrrolidine-1-carboxylate
4-Boc-9-Methyl-2,3,4,5-tetrahydro-1hbenzo[e][1,4]diazepine
4-Boc-7-Methyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methyl]ethanamine
2-(N-Methylaminocarbonyl)-5-pyridineboronic acid pincol ester
Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
C14H19BO4 (262.13763240000003)
3-(Carboxymethyl)phenylboronic acid, pinacol ester
C14H19BO4 (262.13763240000003)
ETHYL 1-(2-(AMINOMETHYL)PHENYL)PIPERIDINE-4-CARBOXYLATE
TERT-BUTYL 3-(PHENYLAMINO)PYRROLIDINE-1-CARBOXYLATE
3-PYRIDINAMINE, N-(1-METHYLETHYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
1-Cyclopentyl-1H-pyrazole-4-boronic acid pinacol ester
Carbamic acid, N-(4-phenyl-3-pyrrolidinyl)-, 1,1-dimethylethyl ester
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide
1,2,3,4,8,9,10,11-octahydro-[1,4]diazepino[6,7,1-jk]carbazole
2-BROMO-6-CHLORO-N-(2,6-DIMETHYLPHENYL)HEXANOYLAMIDE
3-OXO-4-(PHENYLMETHYL)-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER
tert-butyl N-[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]carbamate
4-(4-hydroxy-piperidine-1-ylmethyl)-benzimidic acid ethyl ester
N,N-dimethyl-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methanamine
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate
C14H19BO4 (262.13763240000003)
2-(4-methoxy-2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
N-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YL)ACETAMIDE
1-PIPERAZINECARBOXYLIC ACID, 4-(3-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
1,4-Benzodioxane-6-boronic acid, pinacol ester
C14H19BO4 (262.13763240000003)
3-(4-BENZYL-PIPERAZIN-1-YL)-PROPIONIC ACID METHYL ESTER
{1H-Pyrido[4,3-b]indole,} 2,3,4,5-tetrahydro-2-(phenylmethyl)-
2-(3-Ethoxy-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
TERT-BUTYL 7-FORMYL-3,4-DIHYDRO-1,8-NAPHTHYRIDINE-1(2H)-CARBOXYLATE
3-(4-HYDROXY-PIPERIDIN-1-YLMETHYL)-BENZIMIDIC ACID ETHYL ESTER
trans-(4-Amino-1-benzylpyrrolidin-3-yl)-acetic acid ethyl ester
tert-Butyl(3S,4R)-4-phenylpyrrolidin-3-ylcarbamate
diazanium,(Z)-but-2-enedioate,2,4,4-trimethylpent-1-ene
(3-HYDROXYMETHYL-1H-INDOL-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER
(R)-TERT-BUTYL (1-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL)ETHYL)CARBAMATE
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
C14H19BO4 (262.13763240000003)
tert-Butyl 3-(4-aminophenyl)pyrrolidine-1-carboxylate
6-(Dimethylamino)-4-methylpyridine-3-boronic acid pinacol ester
(S)-TERT-BUTYL (1-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL)ETHYL)CARBAMATE
4,4,5,5-tetramethyl-2-(3-phenoxypropyl)-1,3,2-dioxaborolane
3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propan-1-ol
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate
C14H19BO4 (262.13763240000003)
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate
C14H19BO4 (262.13763240000003)
1H-Pyrrolo[2,3-b]pyridine-5-methanol, 1-[(1,1-dimethylethyl)dimethylsilyl]-
2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PROPYL)PHENOL
3-(2-Pyridinyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
4-(4-Pyridinyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
TERT-BUTYL 2,7-DIAZASPIRO[4.4]NONANE-2-CARBOXYLATE HYDROCHLORIDE
1-(DIPHENYLMETHYL)-3-METHYL-3-AZETIDINECARBONITRILE
1-[3-(4-HYDROXY-3-METHOXYPHENYL)-OXO-2-PROPENYL]-PIPERAZINE
2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)azanium
1-(2,3-DIHYDRO-1H-INDEN-2-YL)HYDRAZINEHYDROCHLORIDE
2-(2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETIC ACID
C14H19BO4 (262.13763240000003)
2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
C14H19BO4 (262.13763240000003)
4-(3-butyl-2H-imidazol-1-yl)butane-1-sulfonic acid
tert-butyl N-[2-(4-cyanophenyl)-2-hydroxyethyl]carbamate
3-Methoxycarbonylphenylboronic acid pinacol ester
C14H19BO4 (262.13763240000003)
1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
C14H19BO4 (262.13763240000003)
N-(4-Aminophenyl)-N,4-dimethyl-1-piperazineacetamide
2-(4-HYDROXY-PIPERIDIN-1-YLMETHYL)-BENZIMIDIC ACID ETHYL ESTER
6-Aminomethyl-3,4-dihydro-1H-isoquinoline-2-carboxylicacid tert-butyl ester
TERT-BUTYL 8-AZABICYCLO[3.2.1]OCTAN-3-YLCARBAMATE HYDROCHLORIDE
3,4,5,6-tetrahydro-2H-[2,4-bipyridine]-1-carboxylic acid tert-butyl ester
1H-Imidazole-1,2-diamine,4-phenyl-N1-(phenylmethylene)-
5-AMINO-2,3,4,5-TETRAHYDRO-BENZO[B]AZEPINE-1-CARBOXYLICACIDTERT-BUTYLESTER
1-CYCLOHEPTYL-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
Mixidine
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
C14H19BO4 (262.13763240000003)
tert-butyl 3-formyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
7-aminomethyl-2-Boc-1,2,3,4-tetrahydroisoquinoline
tert-butyl 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
METHYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
C14H19BO4 (262.13763240000003)
2-(4-Methoxy-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-Methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
C14H19BO4 (262.13763240000003)
2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
C14H19BO4 (262.13763240000003)
3-Amino-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester hydrochloride
2-(3-Methoxy-4,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
N-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinamide
(1,1-DIOXO-2,3-DIHYDRO-1H-1LAMBDA6-THIOPHEN-3-YLAMINO)-ACETICACID
4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid
C14H19BO4 (262.13763240000003)
[1-(3-METHYL-BENZYL)-3-OXO-PIPERAZIN-2-YL]-ACETIC ACID
2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-ol
Potassium 9-(2,3-dimethyl-2-butoxy)-9-boratabicyclo[3.3.l]nonane
C14H28BKO (262.18701680000004)
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)acetamide
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
Benzyl 4-((methylamino)methyl)piperidine-1-carboxylate
3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
C14H19BO4 (262.13763240000003)
tert-butyl octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate hydrochloride
6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
Reposal
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain
Pirlindole hydrochloride
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors D000970 - Antineoplastic Agents
Fencibutirol
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents
(5R)-5-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hexanoic acid
6-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hexanoic acid
[(2R)-3-carboxy-2-[(3-hydroxypentanoyl)oxy]propyl]trimethylazanium
C12H24NO5+ (262.16543939999997)
Mepindolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Cibenzoline
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoic Acid
[3-Carboxy-2-(3-hydroxy-3-methylbutanoyl)oxypropyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
(1R,9S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one
[(2R)-3-carboxy-2-[(2R)-2-carboxypropanoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-(3-hydroxy-2-methylbutanoyl)oxypropyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
[(2R)-3-carboxy-2-(3-hydroxy-3-methylbutanoyl)oxypropyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
[2-Carboxy-2-(4-carboxybutanoyloxy)ethyl]-trimethylazanium
3-Carboxylato-2-(3-carboxypropionyloxy)-N,N,N-trimethyl-1-propaneaminium
[3-Carboxy-2-hydroxy-2-(3-methylbutanoyloxy)propyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
3-Carboxylato-2-(2-carboxypropionyloxy)-N,N,N-trimethyl-1-propaneaminium
[3-Carboxy-2-(5-hydroxypentanoyloxy)propyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
[(2R)-3-carboxy-2-(2-carboxypropanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3-hydroxypentanoyloxy)propyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
[(2S)-3-carboxy-2-(3-hydroxypentanoyloxy)propyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
[(2R)-3-carboxy-2-[(2R)-2-hydroxy-3-methylbutanoyl]oxypropyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
[3-Carboxy-2-(4-hydroxypentanoyloxy)propyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
5-methoxy-N-(1-methoxypropan-2-yl)-1H-indole-2-carboxamide
5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamide
N-[(4-methoxyphenyl)-oxomethyl]-1-piperidinecarboxamide
5-Amino-1-methyl-3-(1-naphthalenylmethyl)-4-pyrazolecarbonitrile
1-[(1R,2aR,8bR)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-methoxyethanone
2-(3,7-Dimethylocta-2,6-dienyl)benzene-1,3,5-triol
1-[(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-methoxyethanone
1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-methoxyethanone
1-[(1R,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-methoxyethanone
(3Z,6Z)-dodeca-3,6-dien-1-yl hydrogen sulfate
A sulfuric ester of (3Z,6Z)-dodeca-3,6-dien-1-ol.
[2-(Carboxymethyl)-1,2-dihydroxy-5-methyl-3-oxohexyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)
[(2S)-3-carboxy-2-(2-carboxypropanoyloxy)propyl]-trimethylazanium
[(2R)-3-carboxy-2-(2-hydroxypentanoyloxy)propyl]-trimethylazanium
C12H24NO5+ (262.16543939999997)