Exact Mass: 280.168788
Exact Mass Matches: 280.168788
Found 500 metabolites which its exact mass value is equals to given mass value 280.168788,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Imipramine
The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group. -- Pubchem; Imipramine (sold as Antideprin, Janimine, Tofranil) is an antidepressant medication, a tricyclic antidepressant of the dibenzazepine group, mainly used in the treatment of clinical depression and enuresis. -- Wikipedia [HMDB] The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group. -- Pubchem; Imipramine (sold as Antideprin, Janimine, Tofranil) is an antidepressant medication, a tricyclic antidepressant of the dibenzazepine group, mainly used in the treatment of clinical depression and enuresis. -- Wikipedia. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
12-HHTrE
12(S)-HHTrE is an unusual product of the cyclooxygenase (COX) pathway and one of the primary arachidonic acid metabolites of the human platelet.1 It is biosynthesized by thromboxane (TX) synthesis from prostaglandin H2 (PGH2) concurrently with TXA2. The biological role of 12(S)-HHTrE is uncertain. It is avidly oxidized to 12-oxoHTrE by porcine 15-hydroxy PGDH. [HMDB] 12(S)-HHTrE is an unusual product of the cyclooxygenase (COX) pathway and one of the primary arachidonic acid metabolites of the human platelet.1 It is biosynthesized by thromboxane (TX) synthesis from prostaglandin H2 (PGH2) concurrently with TXA2. The biological role of 12(S)-HHTrE is uncertain. It is avidly oxidized to 12-oxoHTrE by porcine 15-hydroxy PGDH.
juvenile hormone III
Ibogamine
A monoterpenoid indole alkaloid with formula C19H24N2. It is isolated from the flowering plant genus, Tabernaemontana and exhibits anti-addictive properties.
10,11-epoxy-3,11-dimethyl-7-ethyl-2,6-tridecadienoic acid
Fantridone
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
brefeldin A
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents A metabolite from Penicillium brefeldianum that exhibits a wide range of antibiotic activity. relative retention time with respect to 9-anthracene Carboxylic Acid is 1.042 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.035 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.034 [Raw Data] CB245_Brefeldin-A_pos_50eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_40eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_30eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_20eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_10eV_isCID-10eV_rep000008.txt Brefeldin A (BFA) is a lactone antibiotic and a specific inhibitor of protein trafficking. Brefeldin A blocks the transport of secreted and membrane proteins from endoplasmic reticulum to Golgi apparatus[1][2]. Brefeldin A is also an autophagy and mitophagy inhibitor[3]. Brefeldin A is a CRISPR/Cas9 activator[5]. Brefeldin A inhibits HSV-1 and has anti-cancer activity[5]. Brefeldin A (BFA) is a lactone antibiotic and a specific inhibitor of protein trafficking. Brefeldin A blocks the transport of secreted and membrane proteins from endoplasmic reticulum to Golgi apparatus[1][2]. Brefeldin A is also an autophagy and mitophagy inhibitor[3]. Brefeldin A is a CRISPR/Cas9 activator[5]. Brefeldin A inhibits HSV-1 and has anti-cancer activity[5].
Feruloylcholine
Feruloylcholine is a constituent of garlic mustard (Alliaria officinalis). Constituent of garlic mustard (Alliaria officinalis).
Tyrosyl-Valine
C14H20N2O4 (280.14230000000003)
Tyrosyl-Valine is a dipeptide composed of tyrosine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Feruloyl-2-hydroxyputrescine
C14H20N2O4 (280.14230000000003)
Feruloyl-2-hydroxyputrescine is found in cereals and cereal products. Feruloyl-2-hydroxyputrescine is an alkaloid from Triticum aestivum (wheat). Alkaloid from Triticum aestivum (wheat). Feruloyl-2-hydroxyputrescine is found in wheat and cereals and cereal products.
Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate
Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate is found in green vegetables. Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate is found in green vegetables.
N-Methylaspidospermatidine
N-Methylaspidospermatidine is an alkaloid in Aspidosperma quebracho-blanco (quebracho
Dihydropanaxacol
Dihydropanaxacol is found in tea. Dihydropanaxacol is present in ginsen Present in ginseng. Dihydropanaxacol is found in tea.
6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide
6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide is found in green vegetables. 6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). 6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide is found in green vegetables.
Valeracetate
Constituent of Valeriana officinalis (valerian). Valeracetate is found in tea, fats and oils, and herbs and spices. Valeracetate is found in fats and oils. Valeracetate is a constituent of Valeriana officinalis (valerian).
3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide
3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide is found in green vegetables. 3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide is a constituent of Petasites japonicus (sweet coltsfoot).
7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one
7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one is found in herbs and spices. 7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one is a constituent of rhizomes of Alpinia officinarum (lesser galangal). Constituent of rhizomes of Alpinia officinarum (lesser galangal). 7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one is found in herbs and spices.
Fauronyl acetate
Constituent of root of Valeriana officinalis variety latifolia. Fauronyl acetate is found in tea, fats and oils, and herbs and spices. Fauronyl acetate is found in fats and oils. Fauronyl acetate is a constituent of root of Valeriana officinalis var. latifolia.
Valyltyrosine
C14H20N2O4 (280.14230000000003)
Valyltyrosine is a dipeptide composed of valine and tyrosine. 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. H-Val-Tyr-OH is an endogenous metabolite.
Prehumulinic acid
Prehumulinic acid is found in alcoholic beverages. Prehumulinic acid is a constituent of hops Constituent of hops. Prehumulinic acid is found in alcoholic beverages.
3-Methyl-5-propyl-2-furannonanoic acid
3-Methyl-5-propyl-2-furannonanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3-Methyl-5-propyl-2-furannonanoic acid, in particular, can be described by the shorthand notation 9M3. This refers to its 9-carbon carboxyalkyl moiety, the methyl substitution in the 3-position of its furan moiety, and its 3-carbon alkyl moiety.
5-Heptyl-3-methyl-2-furanpentanoic acid
5-Heptyl-3-methyl-2-furanpentanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-Heptyl-3-methyl-2-furanpentanoic acid, in particular, can be described by the shorthand notation 5M7. This refers to its 5-carbon carboxyalkyl moiety, the methyl substitution in the 3-position of its furan moiety, and its 7-carbon alkyl moiety. It has been identified in the crayfish hepatopancreas.
3-Methyl-5-pentyl-2-furanheptanoic acid
3-Methyl-5-pentyl-2-furanheptanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3-Methyl-5-pentyl-2-furanheptanoic acid, in particular, can be described by the shorthand notation 7M5. This refers to its 7-carbon carboxyalkyl moiety, the methyl substitution in the 3-position of its furan moiety, and its 5-carbon alkyl moiety.
5-Pentyl-2-furanoctanoic acid
5-Pentyl-2-furanoctanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-Pentyl-2-furanoctanoic acid, in particular, can be described by the shorthand notation 8F5. This refers to its 8-carbon carboxyalkyl moiety, the non-methylated furan moiety, and its 5-carbon alkyl moiety. It has been identified in carp.
Histapyrrodine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Histapyrrodine is a first-generation ethylenediamine H1-antihistamine.
Bamipine
Bamipine is a first-generation piperidine H1-antihistamine.
(1R,7S,13S,15S)-2,15-Dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
Ibogamine
Lisofylline
C13H20N4O3 (280.15353300000004)
12-Hydroxyheptadeca-5,8,10-trienoic acid
4-(1,3-Dihydroxy-4,4,5,5-tetramethyl-imidazolidin-2-yl)benzoic acid
C14H20N2O4 (280.14230000000003)
2-Aminobenzylstatine
C15H24N2O3 (280.17868339999995)
4-O-Methylhonokiol
4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research.
8-Hydroxymianserin
Albifylline
C13H20N4O3 (280.15353300000004)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents
Desmethyltrimipramine
1,7-diphenyl-5-hydroxy-6-hepten-3-one
(5R,6E)-5-Hydroxy-1,7-diphenyl-6-hepten-3-one is the methylene chloride extract of Alpinia nutans, has antioxidant activity[1]. (5R,6E)-5-Hydroxy-1,7-diphenyl-6-hepten-3-one is the methylene chloride extract of Alpinia nutans, has antioxidant activity[1].
[1S-(1R*,4Z,6R*,11S*)]-4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-en-6-ol acetate
[1S-(1R*,4S*,5E,7R*)]-4-Methyl-10-methylene-7-(1-methylethyl)-1-acetate 5-cyclodecene-1,4-diol
[1R-(1alpha,2beta,4abeta,8aalpha)]-1-(Acetyloxy)decahydro-alpha,alpha,4a-trimethyl-8-methylene-2-naphthalenemethanol
(2Z,3S,4S)-2-(11-Dodecenylidene)-3-hydroxy-4-methylbutanolide
1-(2,8-Dihydroxy-1,2,6-trimethyl-1,2,6,7,8,8a-hexahydronaphthalene-1-yl)-3-hydroxypropane-1-one
4-methoxyhonokiol
4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research.
6-Heptyl-3-methoxy-4-methylene-4,5,6,7a-tetrahydro-furo[2,3-b]pyran-2-one
[1R-(1alpha,4alpha,4aalpha,6alpha,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-4,6-dihydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
2-(3-Methyl-1-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol
(2S,4S,5S,7S)-10-Hydroxy-7-isopropyl-2-methoxy-4-methyl-1-oxaspiro[4,6]undec-10-en-8-one
5-Ketone,6alpha,7alpha-epoxide,Me ester-Cantabrenonic acid
(5R,7R,10R)-6alpha-acetoxy-eudesm-3-en-7-ol|7alpha-hydroxyeudesm-3-en-6alpha-yl acetate|eudesm-3-ene-6alpha-acetoxy-7alpha-ol
9,10-Dihydro-4-ethenyl-1,8-dimethyl-2-methoxyphenanthrene-7-ol
Me ester-5-(1,3-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid
Me ester-5(4鈥樏傗垎3)-Abeo-5-hydroxy-4-oxo-11(13)-eudesmen-12-oic acid|methyl-5beta-hydroxy-4-oxo-11(13)-dehydroiphionoate
3,8-Dimethyl-4-vinyl-7-methoxy-9,10-dihydrophenanthrene-1-ol
8-Hydroxy-10-(5-methyl-4-oxo-2-cyclopenten-1-yl)-9-decenoic acid
8-Ac-3,7,11-Trimethyl-1,6,10-dodecatriene-3,8-diol|8-acetoxynerolidol
5-Hydroxy-7-(2-phenylethyl)-2,2-dimethyl-2H-1-benzopyran
7-Oxo-8-carbomethoxypinguisenol|7-oxo-pinguisenol-12-methyl ester|7-Oxopinguisenol-12-methyl ester
3,8-Dimethyl-5-isopropyl-5,8-epoxydecahydroazulene-4-ol acetate
Oplodiolmonoacetat; alpha(r)-1c-Hydroxy-4c-acetoxy-1t,4ar-dimethyl-7-isopropyl-6,7-dehydro-trans-decalin
(-)-4-((2S,4R,6S)-tetrahydro-4-hydroxy-6-pentyl-2H-pyran-2-yl)benzene-1,2-diol|(2S,4R,6S)-2-(3,4-hydroxyphenyl)-4-hydroxy-6-pentyltetrahydropyran
1beta-hydroxy-6alpha-acetoxyeudesm-4(15)-ene|6alpha-acetoxy-1beta-hydroxyeudesm-4(15)-ene
9-acetoxy-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol
2-(1-Methylethenyl)-4-phenethyl-2,3-dihydrobenzofuran-6-ol
6beta-methoxy-8beta-hydroxy-eremophil-7(11)-en-12,8alpha-olide
(3E,7E)-6-hydroxy-9-isopropyl-6-methyltrideca-3,7-diene-2,12-dione|6-Hydroxy-9-ispropyl-6-methyl-3,7-tridecadiene-2,12-dione
8-hydroxy-1-methoxy-gamma-butyrolactone dendrolasin
1beta-hydroxy-6beta-acetoxy-eudesm-3-ene|1beta-hydroxy-6beta-acetoxyeudesm-3-ene
2,2-Dimethyl-7-hydroxy-5-(2-phenylethyl)-2H-1-benzopyran
(+)-(1R,2R,4R,5R)-4-ethenyl-2-hydroxy-4-methyl-5-(1-methylethenyl)-1-(1-methylethyl)-cyclohexylacetate|7-acetoxy-elema-1,3-dien-8-ol
4-(2-hydroxy-3-isopropylaminopropoxy)phenylglyoxylic acid amide
C14H20N2O4 (280.14230000000003)
7-ethyl-5,6-didehydro-20,21-dinor-aspidospermidine|Anhydro-14,15-dihydrocapuronidin
(8betaH)-form-13,14,15,16-Tetranor-1(10)-halimene-12,19-dioic acid|13,14,15,16-tetranorfriedo-1(10)-labden-12,19-dioic acid
Epilaccilahsholinsaeuremethylester|Methyl-epilaccilakscholinat
3alpha,7alpha-dihydroxy amorph-4-ene 3-acetate|3??,7??-Dihydroxy amorph-4-ene 3-acetate
4beta,5alpha-epoxy-6beta-acetoxy-trans-germacr-1(10)-ene
1-Acetoxy-2,2,4-trimethyl-3-(3-methyl-3-hydroxy-4-pentenyl)-4-cyclohexene
4-O-Methylhonokiol
4-O-Methylhonokiol is a natural product found in Magnolia virginiana, Magnolia obovata, and Magnolia officinalis with data available. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research.
2-Methylbutyric acid 2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl ester
(5S)-3-(dodec-11-enyl)-4-hydroxy-5-methylfuran-2(5H)-one|rotundifolide A
(4aR)-Acetoxymethyl-(2R)-isopropyl-(8aR)-methyl-8-oxo-dekalin|(4aR,7R,8aR)-4a-Acetoxymethyl-7-isopropyl-8a-methyl-1-oxo-dekalin|Kanokonylacetat
2,5-dihydroxy-3-methyl-6-nonylcyclohexa-2,5-diene-1,4-dione
(E)-6beta-acetoxy-7alphaH-germacra-1(10),4-diene-2beta-ol
3,8,8-Trimethyl-4,5,10,11-tetrahydrophenanthro[10,1-bc]pyran-9(8H)-one
6H,13aH-3a,5a-Ethano-1H-indolizino[8,1-cd]carbazole, 2,3,4,5,11,12-hexahydro-, [10bR-(10bR*,13aS*)]-
kessyl 3-acetate|rel-(1S,2S,3aR,4R,7S,8aR)-decahydro-1,4,9,9-tetramethyl-4,7-(epoxymethano)azulen-2-yl acetate
(4Z,5R)-4-ethylidene-3,4,6,7-tetrahydro-6-methylidene-2,5-ethanoazocino[4,3-b]indol-5(1H)-ol|15alpha-hydroxyapparicine
3,5-Dihydroxy-2-(gamma,gamma-dimethylallyl)-stilben|trans-3,5-dimethoxy-2-prenylstilbene
((1S,4aS,7S,8aS)-7-hydroxy-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)methyl acetate|2(S)-hydroxyalbicanol 11-acetate
1,1?-(E)-propenyl-4-methoxy-3,4?-oxyneolignan|ottomentosa
(1R,4R,5R,8S,10R)-1-hydroxy-4-methoxyeudesm-7(11)-en-12,8-olide
5alpha-hydroxy-13-methoxy-7alphaH,11alphaH-eudesm-4(15)-en-12,8beta-lactone
(2S,3S)-5-allyl-2,3-dihydro-2-(4-methoxyphenyl)-3-methylbenzofuran|4?-O-methylmiliumollin
(+)-(7S)-7-O-methylsydonic acid|(+)-7-O-methylsydonic acid
(11E,13Z)-1,7-dioxacyclooctadeca-11,13-diene-2,8-dione|mesuadione
6-(2-hydroxyethyl)-2-hydroxymethyl-7-methoxymethyl-2,5-dimethyl-indan-4-ol|russujaponol I
5-Ethyl-5-(3-ethyl-3-(2-methylhexyl)oxiranyl)furan-2(5H)-one
3,8-dihydroxy-heptadeca-9E,15E-dien-11,13-diyne-1-oic acid methyl ester
1beta,8alpha-dihydroxyeudesma-3,5-dien-12-carboxylic acid methyl ester|jatrophaeudesmene A
10beta-hydroxy-8beta-methoxyeremophilenolide|8-Me ether-8,10-Dihydroxy-7(11)-eremophilen-12,8-olide
1beta-hydroxy-6beta-acetoxy-eudesm-4-ene|1beta-hydroxy-6beta-acetoxyeudesm-4-ene
alpha-bisabolol oxide A acetate|Bisabololoxid A-acetat
Me ester-5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid
(3S*,4R*,7S*,1(10)E,5E) 3-acetoxygermacra-1(10),5-dien-4-ol
(-)-(1R,3R,6S,7S,8S,10R)-3-acetoxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one|(6S,7S,8S,10R)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undec-10-yl acetate|(8R)-8-acetoxypatchoulol|8-acetoxyl-patchouli alcohol|valeriananoid C
(5Z,8E,10E,12S)-12-Hydroxy-5,8,10-heptadecatrienoic acid|(5Z,8E,10E,12S)-12-Hydroxy-5,8,10-heptadecatrienoic acid
2-<<1R-(1alpha,4alpha,5alpha)>-5-Methyl-3-oxo-4-(3-oxobutyl)cyclohexyl>propensaeure-methylester|2-[(1R-(1alpha,4alpha,5alpha))-5-Methyl-3-oxo-4-(3-oxobutyl)cyclohexyl]propensaeure-methylester
7-Hydroxy-heptadecen-(trans-10)-in-(8)-saeure|7-hydroxy-trans-10-heptadecen-8-ynoic acid
11,20-cyclo-aspidospermidine|13-methyl-2,3,4,5,5a,6,11,12-octahydro-1H-3a,11-methano-indolizino[8,1-cd]carbazole|Tuboxenin|vindoline
1alpha,6alpha-dihydroxyisocostic acid methyl ester
(+)-conocarpan methyl ether|(2S,3S)-2,3-dihydro-2-(4-methoxyphenyl)-3-methyl-5-[1(E)-propenyl]benzofuran
Ac-(all-E)-1,7,9-Heptadecatriene-11,13,15-triyn-6-ol
4-[2-[2-Methoxy-5-(2-propenyl)phenyl]-2-propenyl]phenol
7-(2,3-Dimethoxyphenyl)heptansaeuremethylester|methyl 7-(2,3-dimethoxyphenyl)heptanoate
Me ester-4,5-Dioxo-4,5-seco-11(13)-eudesmen-12-oic acid|methyl-4,5-dioxo-seco-isocostoate
(4aR*,5R*,8aR*,9aS*)-4a,5,6,7,8,8a,9,9a-octahydro-5-hydroxy-9a-methoxy-3,5,8a-trimethylnaphtho[2,3-b]furan-2(4H)-one|4alpha-hydroxy-5alpha(H)-8beta-methoxyeudesm-7(11)-en-8,12-olide
Lisofylline
C13H20N4O3 (280.15353300000004)
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D011838 - Radiation-Sensitizing Agents D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
mefexamide
C15H24N2O3 (280.17868339999995)
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
Dehydromiltirone
Dehydromiltirone is a natural product found in Salvia miltiorrhiza, Salvia miltiorrhiza var. miltiorrhiza, and Salvia prionitis with data available.
imipramine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 674; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8009; ORIGINAL_PRECURSOR_SCAN_NO 8004 CONFIDENCE standard compound; INTERNAL_ID 674; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8047; ORIGINAL_PRECURSOR_SCAN_NO 8045 CONFIDENCE standard compound; INTERNAL_ID 674; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8055; ORIGINAL_PRECURSOR_SCAN_NO 8052 CONFIDENCE standard compound; INTERNAL_ID 674; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8087; ORIGINAL_PRECURSOR_SCAN_NO 8086 CONFIDENCE standard compound; INTERNAL_ID 674; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8100; ORIGINAL_PRECURSOR_SCAN_NO 8098 CONFIDENCE standard compound; INTERNAL_ID 674; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8102; ORIGINAL_PRECURSOR_SCAN_NO 8100 CONFIDENCE standard compound; INTERNAL_ID 1508
7-benzyloxygramine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.741
Xylometazoline HCl
Xylometazoline hydrochloride is an α-adrenergic receptor agonist (Ki=0.05-1.7 μM). Xylometazoline hydrochloride can constrict nasal blood vessels and increase nasal airflow. Xylometazoline hydrochloride can be used in nose stuffiness and runny nose research[1][2].
1-Phenyl-2-(3,4,5,6-tetrahydro-2H-[2,3]bipyridinyl-1-yl)-ethanone
4-hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one
C16H24O4_4-Hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one
C16H24O4_[4a-Formyl-5-(hydroxymethyl)-1,2-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]acetic acid
(1R,2E,7R,10E,12S,13S,15R)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based on: CCMSLIB00000845889]
(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based: Match]
(1R,2E,7R,10E,12S,13S,15R)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one_major
(1R,2E,7R,10E,12S,13S,15R)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one_minor
(R)-Lisofylline
C13H20N4O3 (280.15353300000004)
A 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (R)-configuration. A synthetic small molecule which was under development for the treatment of type 1 diabetes mellitus.
(S)-Lisofylline
C13H20N4O3 (280.15353300000004)
A 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (S)-configuration. It is the inactive optical enantiomer of (R)-lisofylline, an anti-inflammatory agent.
Tyr-val
C14H20N2O4 (280.14230000000003)
A dipeptide formed from L-tyrosine and L-valine residues.
Val-Tyr
C14H20N2O4 (280.14230000000003)
A dipeptide formed from L-valine and L-tyrosine residues. H-Val-Tyr-OH is an endogenous metabolite.
N-Methylaspidospermatidine
Feruloyl-2-hydroxyputrescine
C14H20N2O4 (280.14230000000003)
6-Hydroxy-8-methoxy-7(11)-eremophilen-12,8-olide
3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide
Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate
ethyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate
2-(1H-indol-3-yl)ethyl-[(3-methoxyphenyl)methyl]azanium
Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-enecarboxylate
C15H25BO4 (280.18458000000004)
Spiro[8-azabicyclo[3.2.1]octane-3,3-pyrrolidine]-8-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester
C15H24N2O3 (280.17868339999995)
Benzene, 1,1-[(2-propenyloxy)methylene]bis[2,6-dimethyl- (9CI)
(1-BIPHENYL-4-YL-2-PYRROLIDIN-1-YL-ETHYL)METHYLAMINE
2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]acetic acid
2-METHYL-5-(6-PHENYLPYRIDAZIN-3-YL)OCTAHYDROPYRROLO[3,4-C]PYRROLE
1-(4-Methoxy-3-(3-Methoxypropoxy)Phenyl)-3-Methylbutan-1-One
2,2-bis(Hydroxymethyl)-1,3-propanediol-2-ethylhexanoate
1-BOC-3-[(2-FLUOROPHENYL-AMINO)-METHYL]-AZETIDINE
C15H21FN2O2 (280.15869779999997)
1-BOC-3-[(4-FLUOROPHENYL-AMINO)-METHYL]-AZETIDINE
C15H21FN2O2 (280.15869779999997)
1-(1,3-DIOXOLAN-2-YLMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
ethyl 5-amino-2-[2-(diethylamino)ethoxy]benzoate
C15H24N2O3 (280.17868339999995)
3-(3-FLUORO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H21FN2O2 (280.15869779999997)
4-biphenylboronic acid, pinacol ester
C18H21BO2 (280.16345160000003)
Tyrosyl-Valine
C14H20N2O4 (280.14230000000003)
N-[(5-Amino-1,3,3-Trimethylcyclohexyl)Methyl]-beta-Alanine Monopotassium Salt
3-(3-FLUORO-BENZYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H21FN2O2 (280.15869779999997)
1-BOC-3-[(3-FLUOROPHENYL-AMINO)-METHYL]-AZETIDINE
C15H21FN2O2 (280.15869779999997)
2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETIC ACID
METHYL 3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)PROPANOATE
Daledalin
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C185721 - Norepinephrine Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
5-Amino-2-(3-(tert-butylamino)-2-hydroxypropoxy)acetophenone
C15H24N2O3 (280.17868339999995)
(2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETICACID
C14H20N2O4 (280.14230000000003)
tert-butyl 4-(imidazol-1-ylmethyl)-1,4-diazepane-1-carboxylate
C14H24N4O2 (280.18991639999996)
[2-hydroxyimino-2-(3-methoxy-phenyl)-ethyl]-carbamic acid tert-butyl ester
C14H20N2O4 (280.14230000000003)
(2-(2-((TERT-BUTYLDIMETHYLSILYL)OXY)ETHYL)PHENYL)BORONIC ACID
C14H25BO3Si (280.16659300000003)
Hydroxytetracaine
C15H24N2O3 (280.17868339999995)
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
BIS-N,N-(TRIMETHYLSILYL)-N-PHENYLUREA
C13H24N2OSi2 (280.14270939999994)
Boc-(R)-3-Amino-4-(3-pyridyl)-butyric acid
C14H20N2O4 (280.14230000000003)
4-((TERT-BUTYLDIMETHYLSILYL)OXY)-4-PHENYLBUTAN-1-OL
C16H28O2Si (280.18584680000004)
3-(2-FLUORO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H21FN2O2 (280.15869779999997)
3-(4-FLUORO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H21FN2O2 (280.15869779999997)
[4-(2-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate
[2-hydroxyimino-2-(4-methoxy-phenyl)-ethyl]-carbamic acid tert-butyl ester
C14H20N2O4 (280.14230000000003)
METHYL 3-(6-AMINOPYRIDIN-2-YL)-2-(TERT-BUTOXYCARBONYL)PROPANOATE
C14H20N2O4 (280.14230000000003)
Biphenyl-2-boronic acid pinacol ester
C18H21BO2 (280.16345160000003)
N-BOC-4-[(2-FURYLMETHYL)AMINO]PIPERIDINE
C15H24N2O3 (280.17868339999995)
Boc-(S)-3-Amino-4-(3-pyridyl)-butyric acid
C14H20N2O4 (280.14230000000003)
Boc-(S)-3-Amino-4-(4-pyridyl)-butyric acid
C14H20N2O4 (280.14230000000003)
(R)-TERT-BUTYL (1-OXO-1-(2-(PYRIDIN-2-YL)HYDRAZINYL)PROPAN-2-YL)CARBAMATE
C13H20N4O3 (280.15353300000004)
tert-butyl 3-(4-fluorophenyl)piperazine-1-carboxylate
C15H21FN2O2 (280.15869779999997)
TERT-BUTYL 4-HYDROXY-2-OXO-5,6,8,9-TETRAHYDRO-1H-PYRIDO[2,3-D]AZEPINE-7(2H)-CARBOXYLATE
C14H20N2O4 (280.14230000000003)
(S)-TERT-BUTYL (1-OXO-1-(2-(PYRIDIN-2-YL)HYDRAZINYL)PROPAN-2-YL)CARBAMATE
C13H20N4O3 (280.15353300000004)
tert-butyl 4-(6-fluoropyridin-3-yl)piperidine-1-carboxylate
C15H21FN2O2 (280.15869779999997)
2-[(TERT-BUTOXY)CARBONYLAMINO]-N-(PHENYLMETHOXY)ACETAMIDE
C14H20N2O4 (280.14230000000003)
2,8-Diazaspiro[4.5]decan-1-one, 2-(phenylmethyl)-, hydrochloride (1:1)
5,6-Dihydro-N-(3-(dimethylamino)propyl)-11H-dibenz(b,e)azepine
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridin-3-ylpropanoic acid
C14H20N2O4 (280.14230000000003)
Ciclosidomine
C13H20N4O3 (280.15353300000004)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
2,4,4-trimethylpentan-2-yl 2-phenoxyethaneperoxoate
(+/-)-cis-1-benzyl-3-methyl-N-phenylpiperidinamine
ethyl 2-(5-{[(tert-butoxy)carbonyl]amino}pyridin-2-yl)acetate
C14H20N2O4 (280.14230000000003)
tert-butyl 4-(4-fluorophenyl)piperazine-1-carboxylate
C15H21FN2O2 (280.15869779999997)
2-([1,1-Biphenyl]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C18H21BO2 (280.16345160000003)
2,2-AZOBIS[N-(2-PROPENYL)-2-METHYLPROPIONAMIDE]
C14H24N4O2 (280.18991639999996)
Boc-(R)-3-Amino-4-(4-pyridyl)-butyric acid
C14H20N2O4 (280.14230000000003)
((E)-4-Phenyl-but-3-enyl)-piperidin-3-ylMethyl-aMine hydrochloride
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
1-BENZYL 2-TERT-BUTYL 1-METHYLHYDRAZINE-1,2-DICARBOXYLATE
C14H20N2O4 (280.14230000000003)
tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate
C13H20N4O3 (280.15353300000004)
octahydro-2,6-dimethyl-3,8:4,7-dimethano-2,6-naphthyridine-4,8-dicarboxylic acid
C14H20N2O4 (280.14230000000003)
TERT-BUTYL 2-AMINO-4-HYDROXY-8,9-DIHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE-7(6H)-CARBOXYLATE
C13H20N4O3 (280.15353300000004)
3-((2-(Benzoyloxy)ethyl)phenylamino)propiononitrile
1H-Indole-3-methanamine,N,N-dimethyl-6-(phenylmethoxy)-
2-Methyl-2-propanyl 4-(4-formyl-1H-1,2,3-triazol-1-yl)-1-piperidi necarboxylate
C13H20N4O3 (280.15353300000004)
2-methyl-5-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)aniline
2,2-Dimethyl-3,6,9,12,15-pentaoxa-2-silahexadecane
2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidinamine
(+)-(7S)-7-O-methylsydonic acid
A sesquiterpenoid that is the 7-O-methyl derivative of (+)-(7S)-sydonic acid. An Aspergillus metabolite isolated from the sea fan derived fungus Aspergillus sydowii.
1h-Pyrazolo[4,3-b]pyridin-7-amine,5-methyl-n-(2-methylpropyl)-3-phenyl-
bamipine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Xylometazoline hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Xylometazoline hydrochloride is an α-adrenergic receptor agonist (Ki=0.05-1.7 μM). Xylometazoline hydrochloride can constrict nasal blood vessels and increase nasal airflow. Xylometazoline hydrochloride can be used in nose stuffiness and runny nose research[1][2].
histapyrrodine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
1,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)-
2-[(2-Amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
C14H20N2O4 (280.14230000000003)
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one
A diarylheptanoid that is hept-6-en-3-one substituted by a 4-hydroxyphenyl group at position 1 and a phenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis.
2-[4a-Formyl-5-(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetic acid
4-hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one
3-(4-methylphenyl)-N-phenyl-1-pyrrolidinecarboxamide
N-(2-pyridinylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
(4S,7S)-4-methyl-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
C14H24N4O2 (280.18991639999996)
(5S,8S)-8-methyl-5-(2-methylpropyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
C14H24N4O2 (280.18991639999996)
(1R,2R,3Z,7S,11E,15S)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
(4S,7R)-4-methyl-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
C14H24N4O2 (280.18991639999996)
(E)-N-(4-amino-3-hydroxybutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
C14H20N2O4 (280.14230000000003)
N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboxamide
C14H20N2O4 (280.14230000000003)
(1R,15S,17S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene
Methyl (3R,6S)-7-benzyloxy-3-hydroxy-6-methylheptanoate
(1S,2S,3Z,7R,11Z,13R,15R)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide
dainate A(1-)
A dicarboxylic acid anion that is conjugate base of dainic acid A, arising from the deprotonation of the carboxy groups and protonation of the pyrrolidine nitrogen. Major species at pH 7.3.
1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
C13H20N4O3 (280.15353300000004)
A dimethylxanthine that is 3,7-dihydro-1H-purine-2,6-dione which is substituted at positions 1,3 and 7 by a 5-hydroxyhexyl group, methyl group and methyl group, respectively.
1-[(1as,4s,4as,5s,6s,8s,8as)-6-acetyl-8-hydroxy-4,4a-dimethyl-octahydronaphtho[4,4a-b]oxiren-5-yl]ethanone
(2r)-2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one
methyl 2-[(2r,4ar,8ar)-8a-hydroperoxy-4a-methyl-8-methylidene-hexahydro-1h-naphthalen-2-yl]prop-2-enoate
methyl 2-{2-[2-hydroxy-3-(oxiran-2-yl)but-3-en-1-yl]-3,3-dimethylcyclobutyl}prop-2-enoate
(6r,7ar)-6-heptyl-3-methoxy-4-methylidene-5h,6h,7ah-furo[2,3-b]pyran-2-one
methyl 2-[(2r,8ar)-8a-hydroperoxy-4a-methyl-8-methylidene-hexahydro-1h-naphthalen-2-yl]prop-2-enoate
methyl 2-(3-acetyl-3a-hydroxy-7a-methyl-hexahydro-1h-inden-5-yl)prop-2-enoate
methyl (4r)-4-[(2s)-6-methyl-4-oxoheptan-2-yl]-3-oxocyclohex-1-ene-1-carboxylate
methyl 2-[4-methyl-3-oxo-4-(4-oxopentyl)cyclohexyl]prop-2-enoate
3-hydroxy-4-[(2r)-2-methoxy-6-methylheptan-2-yl]benzoic acid
(1r,2s,8s,9s,10r,12r)-8,12-dihydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-6-one
C15H24N2O3 (280.17868339999995)
2-[(4s,6s)-6-ethyl-7-hydroxy-4-methylhept-2-en-2-yl]-6-methoxypyran-4-one
(2r,3as,5r)-3a-methoxy-2-(2-methoxypropan-2-yl)-5-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1-benzofuran-6-one
4-hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-2h,4h,4ah,6ah,7h,8h,9h,10h,10ah-naphtho[2,1-c]pyran-1-one
5-hydroxy-1-(4-hydroxy-2-methoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
4-[(2s,4r,6s)-4-hydroxy-6-pentyloxan-2-yl]benzene-1,2-diol
(4ar,5s,8r,8ar,9ar)-8a-hydroxy-8-methoxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-2-one
3-methyl-8-(2-phenylethyl)-2,5-dihydro-1-benzoxepin-6-ol
(4ar,5s,8as,9as)-8a-hydroxy-9a-methoxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,9h-naphtho[2,3-b]furan-2-one
4'-methoxy-3',5-bis[(1e)-prop-1-en-1-yl]-[1,1'-biphenyl]-2-ol
(1r,4ar,6as,8r,10ar,10bs)-1-hydroxy-1-(hydroxymethyl)-8,10b-dimethyl-4h,4ah,6ah,7h,8h,9h,10h,10ah-naphtho[2,1-c]pyran-2-one
4-(hydroxymethyl)-3-methoxy-8,12-dimethyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-4,11-dien-6-ol
5-(carboxymethyl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
methyl 2-[(1r,4r,4ar,6s,8ar)-4,6-dihydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1h-naphthalen-1-yl]prop-2-enoate
2-methoxy-3,5-dimethyl-6-(5-methyl-6-oxoheptyl)pyran-4-one
(1s,2r,5s,9s,10s,12s)-5,12-dihydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-6-one
C15H24N2O3 (280.17868339999995)
methyl 2-(1,3-dihydroxy-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-2-yl)prop-2-enoate
12,17-dihydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-6-one
C15H24N2O3 (280.17868339999995)