Exact Mass: 342.1961606
Exact Mass Matches: 342.1961606
Found 500 metabolites which its exact mass value is equals to given mass value 342.1961606,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Magnoflorine
C20H24NO4+ (342.17052440000003)
(S)-magnoflorine is an aporphine alkaloid that is (S)-corytuberine in which the nitrogen has been quaternised by an additional methyl group. It has a role as a plant metabolite. It is an aporphine alkaloid and a quaternary ammonium ion. It is functionally related to a (S)-corytuberine. Magnoflorine is a natural product found in Zanthoxylum myriacanthum, Fumaria capreolata, and other organisms with data available. See also: Caulophyllum thalictroides Root (part of).
Phellodendrine
C20H24NO4+ (342.17052440000003)
Phellodendrine is an alkaloid. Phellodendrine is a natural product found in Phellodendron chinense, Phellodendron chinense var. glabriusculum, and other organisms with data available.
Disoxaril
C20H26N2O3 (342.19433260000005)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
Megestrol
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DB - Pregnadien derivatives L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AB - Progestogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D000970 - Antineoplastic Agents
2alpha-Methyl-11-oxoprogesterone
Penicillin K
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
E-64d
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid
2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid is found in nuts. 2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid is a minor constituent of cashew nut shel D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone is found in herbs and spices. 7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone is from Alpinia officinarum (lesser galangal
Jasmolone glucoside
Jasmolone glucoside is found in herbs and spices. Jasmolone glucoside is a constituent of Mentha spicata var. crispa (spearmint). Constituent of Mentha spicata variety crispa (spearmint). Jasmolone glucoside is found in tea and herbs and spices.
Guggulsterone
Guggulsterone is an ingredient in many nutritional supplements. Guggulsterone is a plant sterol derived from the gum resin (guggulu) of the tree Commiphora mukul. This sterol can inhibit NF-κB activation and downregulate the expression of inflammatory gene products such as COX-2 and MMP-9, which are major players in the development of arthritis. Guggulsterone also can suppress osteoclastogenesis induced by RANKL (receptor activator of NF-κB ligand), a bone-resorbing cytokine. The anti-inflammatory activity of C. mukul (guggul) has been compared with that of NSAIDs, namely phenylbutazone and ibuprofen. Guggulsterone is used to treat obesity, diabetes, hyperlipidemia, atherosclerosis, and osteoarthritis, and has been recently shown to antagonize the farnesoid X receptor and decrease the expression of bile acid-activated genes. It modulates activation of NF-kappaB, which has been closely linked with inflammatory diseases affected by guggulsterone. (PMID: 17475558, 15322087) [HMDB] Guggulsterone is an ingredient in many nutritional supplements. Guggulsterone is a plant sterol derived from the gum resin (guggulu) of the tree Commiphora mukul. This sterol can inhibit NF-κB activation and downregulate the expression of inflammatory gene products such as COX-2 and MMP-9, which are major players in the development of arthritis. Guggulsterone also can suppress osteoclastogenesis induced by RANKL (receptor activator of NF-κB ligand), a bone-resorbing cytokine. The anti-inflammatory activity of C. mukul (guggul) has been compared with that of NSAIDs, namely phenylbutazone and ibuprofen. Guggulsterone is used to treat obesity, diabetes, hyperlipidemia, atherosclerosis, and osteoarthritis, and has been recently shown to antagonize the farnesoid X receptor and decrease the expression of bile acid-activated genes. It modulates activation of NF-kappaB, which has been closely linked with inflammatory diseases affected by guggulsterone. (PMID: 17475558, 15322087).
13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid
13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid is found in cereals and cereal products. 13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid is isolated from corn. Isolated from corn. 13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid is found in cereals and cereal products.
2,3-Dinor-TXB2
Fatty Acyl-Eicosanoid - metabolite of thromboxane. Found to be excreted via urinary tract at a higher level in diabetic rats. A study demonstrates that thromboxane as well as prostacyclin biosynthesis is increased in 2 murine models of atherogenesis and is secondary to increased in vivo platelet activation. Assessment of their generation in these models may afford the basis for future studies on the functional role of these eicosanoids in the evolution and progression of atherosclerosisThromboxanes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. Fatty Acyl-Eicosanoid - metabolite of thromboxane. Found to be excreted via urinary tract at a higher level in diabetic rats. A study demonstrates that thromboxane as well as prostacyclin biosynthesis is increased in 2 murine models of atherogenesis and is secondary to increased in vivo platelet activation. Assessment of their generation in these models may afford the basis for future studies on the functional role of these eicosanoids in the evolution and progression of atherosclerosis
(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid
(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid is found in fruits. (-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid is isolated from the seeds of Sambucus nigra (elderberry). Isolated from the seeds of Sambucus nigra (elderberry). (-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid is found in fruits.
2,3-Dinor-6-keto-prostaglandin F1 a
2,3-dinor-6-keto-prostaglandin F1 alpha is a major urinary prostacyclin metabolite, and is significantly higher in 9 patients with severe atherosclerosis and evidence of platelet activation. Prostacyclin is a potent vasodilator and platelet inhibitor produced by vascular endothelium. Endogenous production of prostacyclin under physiologic conditions is extremely low, far below the capacity of vascular tissue to generate this substance in response to stimulation in vitro. This may reflect a low frequency or intensity of stimulation of prostacyclin production. PGI2 synthase (PGIS), a catalyst of PGI2 formation from prostaglandin H2, is widely distributed and predominantly found in vascular endothelial and smooth muscle cells. PGI2 plays an important cardioprotective role increasingly appreciated in recent years in light of adverse effects of COX-2 inhibitors in clinical trials. This cardioprotection is thought to be mediated, in part, by prostacyclin inhibition of platelet aggregation. Multiple lines of evidence suggest that prostacyclin additionally protects from cardiovascular disease by pleiotropic effects on vascular smooth muscle. PGI2 inhibits proliferation of cultured vascular SMCs by inhibiting cell cycle progression from G1 to S phase. (PMID: 6231483, 7000774, 6231483, 16303599, 16533160, 17073611, 17164138)Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 2,3-dinor-6-keto-prostaglandin F1 alpha is a major urinary prostacyclin metabolite, and is significantly higher in 9 patients with severe atherosclerosis and evidence of platelet activation. Prostacyclin is a potent vasodilator and platelet inhibitor produced by vascular endothelium. Endogenous production of prostacyclin under physiologic conditions is extremely low, far below the capacity of vascular tissue to generate this substance in response to stimulation in vitro. This may reflect a low frequency or intensity of stimulation of prostacyclin production. PGI2 synthase (PGIS), a catalyst of PGI2 formation from prostaglandin H2, is widely distributed and predominantly found in vascular endothelial and smooth muscle cells. PGI2 plays an important cardioprotective role increasingly appreciated in recent years in light of adverse effects of COX-2 inhibitors in clinical trials. This cardioprotection is thought to be mediated, in part, by prostacyclin inhibition of platelet aggregation. Multiple lines of evidence suggest that prostacyclin additionally protects from cardiovascular disease by pleiotropic effects on vascular smooth muscle. PGI2 inhibits proliferation of cultured vascular SMCs by inhibiting cell cycle progression from G1 to S phase. (PMID: 6231483, 7000774, 6231483, 16303599, 16533160, 17073611, 17164138)
17-Hydroxymethylethisterone
17-Hydroxymethylethisterone is a metabolite of danazol. Danazol is a derivative of the synthetic steroid ethisterone, a modified testosterone. Also known as 17alpha-ethinyl testosterone. Before becoming available as a generic drug, Danazol was marketed as Danocrine in the United States. It was approved by the U.S. Food and Drug Administration (FDA) as the first drug to specifically treat endometriosis in the early 1970s. Although effective for endometriosis, its use is limited by its masculinizing side-effects. (Wikipedia)
Monic acid
Monic acid is a metabolite of mupirocin. Mupirocin (Bactroban or Centany) is an antibiotic originally isolated from Pseudomonas fluorescens NCIMB 10586, developed by Beecham. Mupirocin is bacteriostatic at low concentrations and bactericidal at high concentrations. It is used topically and is effective against Gram-positive bacteria, including MRSA. Mupirocin is a mixture of several pseudomonic acids, with pseudomonic acid A (PA-A) constituting greater than 90\\% of the mixture. (Wikipedia) No systemic absorption of mupirocin or its major metabolite, monic acid, has been detected in short courses of topical administration to healthy volunteers or to patients with epidermolysis bullosa after prolonged courses of therapy with Bactroban ointment. (PMID: 2112164)
2,3-dinor-6-oxoprostaglandin F1alpha
2,3-dinor-6-oxoprostaglandin F1alpha is also known as 2,3-Dinor-6-keto-PGF1alpha or 2,3-DKPGF1alpha. 2,3-dinor-6-oxoprostaglandin F1alpha is considered to be practically insoluble (in water) and acidic. 2,3-dinor-6-oxoprostaglandin F1alpha can be synthesized from prostaglandin F1alpha. 2,3-dinor-6-oxoprostaglandin F1alpha can be synthesized into 19-hydroxy-2,3-dinor-6-oxoprostaglandin F1alpha. 2,3-dinor-6-oxoprostaglandin F1alpha is an eicosanoid lipid molecule
14-oxo-DoHE(1-)
14-oxo-DoHE(1-) is also known as 14-oxo-(4Z,7Z,10Z,12E,16Z,19Z)-Docosahexaenoate. 14-oxo-DoHE(1-) is considered to be practically insoluble (in water) and acidic
(2R,4S,5R)-5-Ethyl-2-[(S)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-ol
C20H26N2O3 (342.19433260000005)
Pregn-4-en-20-yn-3-one, 17-hydroxy-2-(hydroxymethyl)-, (2alpha,17alpha)-
2,3-Dinor-6,15-dioxo-13,14-dihydroprostaglandin F1alpha
(Z)-5-((2R,3S,4S,6R)-4,6-Dihydroxy-2-((S,E)-3-hydroxyoct-1-enyl)tetrahydro-2H-pyran-3-yl)pent-3-enoic acid
5-[(1S,2S,3S,5R)-3,5-Dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]-4-oxopentanoic acid
2-Hydroxy-6-pentadeca-8,11,14-trienyl benzoic acid
2-[4-(Carboxymethyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-11-yl]acetic acid
Aloxistatin
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors
Cilostamide
C20H26N2O3 (342.19433260000005)
Lifibrol
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
Malabaricone B
Malabaricone B, a naturally occurring plant phenolic, is an orally active α-glucosidase inhibitor with an IC50 of 63.7 μM. Malabaricone B has anticancer, antimicrobial, anti-oxidation and antidiabetic activities[1][2][3]. Malabaricone B, a naturally occurring plant phenolic, is an orally active α-glucosidase inhibitor with an IC50 of 63.7 μM. Malabaricone B has anticancer, antimicrobial, anti-oxidation and antidiabetic activities[1][2][3].
Penicillin K
Prostaglandin F-main urinary metabolite
N-[[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[5,4-d]pyridin-7-yl]methyl]piperidin-4-amine
N-[Diaminophosphoryloxy-[di(propan-2-yl)amino]phosphoryl]-N-propan-2-ylpropan-2-amine
3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid
Trimegestone
magnoflorine
C20H24NO4 (342.17052440000003)
Magnoflorine is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Magnoflorine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Magnoflorine can be found in a number of food items such as carob, other cereal product, durian, and japanese chestnut, which makes magnoflorine a potential biomarker for the consumption of these food products. Magnoflorine is a chemical compound isolated from the rhizome of Sinomenium acutum and from Pachygone ovata. It is classified as an aporphine alkaloid .
Malabaricone B
Malabaricone B is a natural product found in Myristica maingayi, Myristica gigantea, and other organisms with data available. Malabaricone B, a naturally occurring plant phenolic, is an orally active α-glucosidase inhibitor with an IC50 of 63.7 μM. Malabaricone B has anticancer, antimicrobial, anti-oxidation and antidiabetic activities[1][2][3]. Malabaricone B, a naturally occurring plant phenolic, is an orally active α-glucosidase inhibitor with an IC50 of 63.7 μM. Malabaricone B has anticancer, antimicrobial, anti-oxidation and antidiabetic activities[1][2][3].
Canniprene
Canniprene is a natural product found in Cannabis sativa with data available.
[4S-[4alpha(E),4aalpha,5alpha]]-4,4a,5,6,7,9-Hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methyl-2-pentenoic acid
Cyclanoline
C20H24NO4+ (342.17052440000003)
A charged berberine alkaloid obtained by N-methylation of (S)-scoulerine.
12-HYDROXY-13-(HYDROXYMETHYL)-3,5,7-TRIMETHYLTETRADECA-2,4-DIENEDIOIC ACID
Ethyl 3-(3-methyl-1-(3-methylbutylcarbamoyl)butylcarbamoyl)-2-oxiranecarboxylate
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors
11beta-Methoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-2,3,17beta-triol
(E, E)-form/2, 5-Dihydroxy-3-(3, 7, 11-trimethyl-2, 6, 10-dodecatrienyl)benzaldehyde|3-farnesyl-2,5-dihydroxybenzaldehyde
11beta-Methoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-3,4,17beta-triol
20,21,22,23,24,25,26,27-octanorcucurbit-5-ene-3,7,16-trione|octanorcucurbitacin B
3a-(3,4-dimethoxy-phenyl)-1-methyl-1,2,3,3a,4,5,6,8,9,9b-decahydro-pyrrolo[2,3-f]quinolin-7-one
C20H26N2O3 (342.19433260000005)
11beta-Methoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-3,16beta,17beta-triol
20,21,22,23,24,25,26,27-octanorcucurbit-5-ene-3,7,17-trione|octanorcucurbitacin A
4-Methyl-5,5-<(1-methyltrimethylen)di>(methylnicotinate)|4-Methyl-5,5-[(1-methyltrimethylen)di](methylnicotinate)|Alkaloid LA 4
12-methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol
C20H26N2O3 (342.19433260000005)
10-acetoxy-9-hydroxyamphilecta-8,10,12,14-tetraene
7beta,19-dihydroxy-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid lactone
2-Methoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-3,11beta,17beta-triol
(4E)-1,5-bis(4-hydroxyphenyl)-1-ethoxy-2-(methoxymethyl)-4-pentene
3,5-bis-(3,3-dimethylallyl)-coumaric acid acetate|3,5-bis-<3,3-dimethylallyl>-coumaric acid acetate
Me ester-11,12,13-Trihydroxy-9,15-octadecadienoic acid
2-(7-hydroxy-4,8-dimethyl-3E,8-nonadienyl)-5-hydroxy-2,7-dimethyl-2H-chromene|daurichromene A
5-methyl-2-[(2E,7Z)-3,7,11-trimethyl-2,7-dodecadien-9-onyl]benzo-1,4-quinone
2-[1,3,5,7-Tetramethyl-8-ethylbicyclo[4.2.0]octa-2,4-diene-7-yl]-3,5-dimethyl-6-methoxy-4H-pyran-4-one
(1S,4S)-1,3,4,6-tetrahydro-3,6-dioxo-1-(2-methylpropyl)-2H-pyrazino[2,1-b]quinazoline-4-propanamide|anacine|anacine A
5-methyl-2-[(2E,6E)-3,7,11-trimethyl-2,6-dodecadien-9-onyl]benzo-1,4-quinone
16beta,17beta-epoxy-12beta-hydroxypregna-4,6-diene-3,20-dione
dihydroconiferyl alcohol 4-O-beta-D-glucopyranoside
Tricyclo[6.3.1.0(1,5)]dodecan-9-ol, 2-benzoyloxy-4,4,8-trimethyl-
methyl (9S,10R,11E,13S,15E)-9,10,13-trihydroxyoctadec-11,15-dienoate
(4S,5S)-4-(5-carboxylundecyl)-1-oxo-tetrahydrofuran-4-carboxylic acid methyl ester|spiculisporic acid C
2-(1-carboxydodecyl)-5-oxooxolane-2-carboxylic acid
2-(3-hydroxy-8-methyl-4-methyliden-7-nonaenyl)-5-hydroxy-2,7-dimethyl-2H-chromene|daurichromene B
7-oxo-20,21,22,23,24,25,26,27-octanor-14,18-cycloapotirucalla-1-en-3,4-olide|simaroubin E
2R-(9-hydroxy-4,8-dimethyl-3E,7E-nonadienyl)-5-hydroxy-2,7-dimethyl-2H-chromene|daurichromene D
(11beta,20S)-11,20-Dihydroxy-3-oxopregna-1,4-dien-18-oic acid 18,20-lactone
17-methoxy-18,19-dinor-corynox-16-ene-16-carboxylic acid methyl ester|Rhynchophyllin
C20H26N2O3 (342.19433260000005)
15-carboxamido-3-demethoxy-2alpha,3alpha-methylenedioxyerythroculine
all-trans-crocetin-monomethyl ester|alpha-Crocetinmonomethylester|crocetin monomethyl ester
2(R),3(S),4(S)-3,18-methylene-2alpha-acetoxyspongia-13(16),14-diene
12-Acetoxy-abieta-8,11,13-trien-7-on|12-acetoxy-abieta-8,11,13-trien-7-one|sugiol acetate|Sugiol-Acetat|Sugiolacetat
cyclohexamantane|[12.12.02,11.03,16.05,18.06,11.07,20.09,22.010,25.012,17.012,21.013,24]hexacosane|[12312]hexamantane
2-glucopyranosyl-4-(4-methoxyphenyl)butane|4-(4-methopxyphenyl)-butane-2-O-beta-D-glucopyranoside|[(Xi)-3-(4-Methoxy-phenyl)-1-methyl-propyl]-beta-D-glucopyranosid|[(Xi)-3-(4-methoxy-phenyl)-1-methyl-propyl]-beta-D-glucopyranoside
Neotriptophenolide
Neotriptophenolide is a tetracyclic diterpenoid with formula C21H26O4, originally isolated from Tripterygium wilfordii and Tripterygium hypoglaucum It has a role as a plant metabolite. It is a gamma-lactone, an aromatic ether, a member of phenols, an organic heterotetracyclic compound and a tetracyclic triterpenoid. Neotriptophenolide is a natural product found in Tripterygium hypoglaucum and Tripterygium wilfordii with data available. A tetracyclic diterpenoid with formula C21H26O4, originally isolated from Tripterygium wilfordii and Tripterygium hypoglaucum
Me ester-(9S,10E,12S,13S,15Z)-9,12,13-Trihydroxy-10,15-octadecadienoic acid
3-geranyl-4-hydroxy-5-(3,3-dimethylallyl)-benzoicacid|3-geranyl-4-hydroxy-5-(3,3-dimethylallyl)-benzoic acid|3-geranyl-4-hydroxy-5-(3-methyl-2-butenyl)benzoic acid|3-geranyl-4-hydroxy-5-(3?,3?-dimethylallyl)benzoic acid|5-geranyl-4-hydroxy-5-(3-methyl-2-butenyl)-benzoic acid|myrsinoic acid|myrsinoic acid A
2-(8-hydroxy-4,8-dimethyl-3E,6Z-nonadienyl)-5-hydroxy-2,7-dimethyl-2H-chromene|daurichromene C
3,5-Dimethyl-4-[(3-methylbutyryloxy)methyl]-9-methoxy-5,6-dihydronaphtho[2,3-b]furan
5beta,19-epoxy-20,21,22,23,24,25,26,27-octanorcucurbit-6-ene-3,17-dione|octanorcucurbitacin C
(Z)-5-hydroxyjasmone 5-O-beta-D-glucopyranoside|(Z)-5-Hydroxyjasmone 5-O-??-D-glucopyranoside
6-O-(5-Vinylnicotinoyl)tetrahydrocantleyine|O-(vinyl-5-nicotinoyl)-6-tetrahydrocantleyine
Humantendine
beta-Crocetin
beta-Crocetin is a natural product found in Crocus sativus with data available.
11-Dehydroxygrevilloside B
MLS002153308-01!Tetraisopropyl pyrophosphoramide513-00-8
9-phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid
Magnoflorine
[C20H24NO4]+ (342.17052440000003)
Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids
C21H26O4_4-Allyl-1-{[1-(3,4-dimethoxyphenyl)-2-propanyl]oxy}-2-methoxybenzene
C22H30O3_2-Hydroxy-6-[(8Z,11Z)-8,11,14-pentadecatrien-1-yl]benzoic acid
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzoic acid
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based on: CCMSLIB00000847643]
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based: Match]
Ala Gly Pro Val
C15H26N4O5 (342.19031060000003)
Ala Gly Val Pro
C15H26N4O5 (342.19031060000003)
Ala Pro Gly Val
C15H26N4O5 (342.19031060000003)
Ala Pro Val Gly
C15H26N4O5 (342.19031060000003)
Ala Val Gly Pro
C15H26N4O5 (342.19031060000003)
Ala Val Pro Gly
C15H26N4O5 (342.19031060000003)
Gly Ala Pro Val
C15H26N4O5 (342.19031060000003)
Gly Ala Val Pro
C15H26N4O5 (342.19031060000003)
Gly Gly Ile Pro
C15H26N4O5 (342.19031060000003)
Gly Gly Leu Pro
C15H26N4O5 (342.19031060000003)
Gly Gly Pro Ile
C15H26N4O5 (342.19031060000003)
Gly Gly Pro Leu
C15H26N4O5 (342.19031060000003)
Gly Ile Gly Pro
C15H26N4O5 (342.19031060000003)
Gly Ile Pro Gly
C15H26N4O5 (342.19031060000003)
Gly Leu Gly Pro
C15H26N4O5 (342.19031060000003)
Gly Leu Pro Gly
C15H26N4O5 (342.19031060000003)
Gly Pro Ala Val
C15H26N4O5 (342.19031060000003)
Gly Pro Gly Ile
C15H26N4O5 (342.19031060000003)
Gly Pro Gly Leu
C15H26N4O5 (342.19031060000003)
Gly Pro Ile Gly
C15H26N4O5 (342.19031060000003)
Gly Pro Leu Gly
C15H26N4O5 (342.19031060000003)
Gly Pro Val Ala
C15H26N4O5 (342.19031060000003)
Gly Val Ala Pro
C15H26N4O5 (342.19031060000003)
Gly Val Pro Ala
C15H26N4O5 (342.19031060000003)
Ile Gly Gly Pro
C15H26N4O5 (342.19031060000003)
Ile Gly Pro Gly
C15H26N4O5 (342.19031060000003)
Ile Pro Gly Gly
C15H26N4O5 (342.19031060000003)
Leu Gly Gly Pro
C15H26N4O5 (342.19031060000003)
Leu Gly Pro Gly
C15H26N4O5 (342.19031060000003)
Leu Pro Gly Gly
C15H26N4O5 (342.19031060000003)
Pro Ala Gly Val
C15H26N4O5 (342.19031060000003)
Pro Ala Val Gly
C15H26N4O5 (342.19031060000003)
Pro Gly Ala Val
C15H26N4O5 (342.19031060000003)
Pro Gly Gly Ile
C15H26N4O5 (342.19031060000003)
Pro Gly Gly Leu
C15H26N4O5 (342.19031060000003)
Pro Gly Ile Gly
C15H26N4O5 (342.19031060000003)
Pro Gly Leu Gly
C15H26N4O5 (342.19031060000003)
Pro Gly Val Ala
C15H26N4O5 (342.19031060000003)
Pro Ile Gly Gly
C15H26N4O5 (342.19031060000003)
Pro Leu Gly Gly
C15H26N4O5 (342.19031060000003)
Pro Val Ala Gly
C15H26N4O5 (342.19031060000003)
Pro Val Gly Ala
C15H26N4O5 (342.19031060000003)
Val Ala Gly Pro
C15H26N4O5 (342.19031060000003)
Val Ala Pro Gly
C15H26N4O5 (342.19031060000003)
Val Gly Ala Pro
C15H26N4O5 (342.19031060000003)
Val Gly Pro Ala
C15H26N4O5 (342.19031060000003)
Val Pro Ala Gly
C15H26N4O5 (342.19031060000003)
Val Pro Gly Ala
C15H26N4O5 (342.19031060000003)
2,3-Dinor-TXB2
4Z,7Z,10Z,13Z,15E,19Z-17-keto-docosapentaenoic acid
2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Jasmolone glucoside
(2S,4aS,10aS)-5,8-dihydroxy-6-methoxy-2,4a-dimethyl-1-methylidene-7-prop-1-en-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
(R)-benzyl 1-(benzylamino)-3-Methoxy-1-oxopropan-2-ylcarbamate
(6S,8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-6,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Sensorcaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
3,4-dihydroxy-4-[(3E,6E)-tetradeca-3,6-dienoyl]oxybutanoic acid
2-ANILINO-4,6-BIS(MORPHOLINO)-1,3,5-TRIAZINE
C17H22N6O2 (342.18041519999997)
oxyphenbutazone hydrate
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 D018501 - Antirheumatic Agents
Cilostamide
C20H26N2O3 (342.19433260000005)
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
tert-butyl 4-(2-oxospiro[cyclopropane-1,3-indole]-1-yl)piperidine-1-carboxylate
C20H26N2O3 (342.19433260000005)
1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline
1H-Indole-1,5-dicarboxylic acid, 3-(1-cyano-1-methylethyl)-, 1-(1,1-dimethylethyl) 5-methyl ester
4-ANILINO-1-BENZOYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE
ethenyl acetate,4-ethyl-2-methylideneoctanoic acid,prop-2-enoic acid
(S)-3-(BENZYL(METHYL)AMINO)-2-(BENZYLOXYCARBONYLAMINO)PROPANOIC ACID
1,1,3,3-tetramethyl-1,3-di(2-phenylethyl) disiloxane
C20H30OSi2 (342.18350899999996)
(6α,9β,11β)-9,11-Epoxy-6-fluoropregna-1,4,16-triene-3,20-dione
C21H23FO3 (342.16311399999995)
4-Ethyl-2,3-difluoro-4-(trans-4-propylcyclohexyl)-1,1-biphenyl
Trimegestone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C389 - Oral Contraceptive
(3-((4-(HEPTYLOXY)PHENOXY)METHYL)PHENYL)BORONIC ACID
1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide
C20H23FN2O2 (342.17434699999995)
butyl 2-methylprop-2-enoate,ethyl prop-2-enoate,methyl 2-methylprop-2-enoate
N,N,N,N-tetraisopropyldiphosphoramide
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors
1-(FURAN-2-YLMETHYL)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA
C18H23BN2O4 (342.17507880000005)
{(3r,4r)-4-Methyl-3-[methyl(7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)amino]piperidin-1-Yl}(Pyrrolidin-1-Yl)methanone
Myrsinoic acid A
A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a geranyl group at position 3 and a prenyl group at position 5. Isolated from Myrsine seguinii, it exhibits anti-inflammatory activity.
(R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid
L-Valine, N-(1-L-lysyl-L-prolyl)-
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D009074 - Melanocyte-Stimulating Hormones
1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine
(5R)-7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenylheptan-3-one
(8R,9S,13S,14S)-13-methyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
C21H30O2Si (342.20149599999996)
Lifibrol
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
(4Z,7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-4,7,10,12,14-pentaenoic acid
(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid
An epoxy fatty acid consisting of (4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid having an epoxy group at the 13,14-position. An intermediate lipid in specialized proresolving mediators
2,3-Dinor-6,15-dioxo-13,14-dihydroprostaglandin F1alpha
magnoflorine
[C20H24NO4]+ (342.17052440000003)
Magnoflorine is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Magnoflorine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Magnoflorine can be found in a number of food items such as carob, other cereal product, durian, and japanese chestnut, which makes magnoflorine a potential biomarker for the consumption of these food products. Magnoflorine is a chemical compound isolated from the rhizome of Sinomenium acutum and from Pachygone ovata. It is classified as an aporphine alkaloid . Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids
Pavine(1+)
C20H24NO4+ (342.17052440000003)
An organic cation obtained by protonation of the amino function of pavine; major species at pH 7.3.
(1R,9R)-4,5,12,13-tetramethoxy-17-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
C20H24NO4+ (342.17052440000003)
(1S,9S)-4,5,12,13-tetramethoxy-17-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
C20H24NO4+ (342.17052440000003)
[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
(Z)-5-((2R,3S,4S,6R)-4,6-Dihydroxy-2-((S,E)-3-hydroxyoct-1-enyl)tetrahydro-2H-pyran-3-yl)pent-3-enoic acid
5-[(1S,2S,3S,5R)-3,5-Dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]-4-oxopentanoic acid
[3-Carboxy-2-(7-carboxy-3,4-dimethylideneheptanoyl)oxypropyl]-trimethylazanium
C17H28NO6+ (342.19165280000004)
[3-Carboxy-2-(7-carboxy-2,3-dimethylideneheptanoyl)oxypropyl]-trimethylazanium
C17H28NO6+ (342.19165280000004)
[3-carboxy-2-[(5E,8E)-9-carboxynona-5,8-dienoyl]oxypropyl]-trimethylazanium
C17H28NO6+ (342.19165280000004)
[3-carboxy-2-[(2E,4E)-9-carboxynona-2,4-dienoyl]oxypropyl]-trimethylazanium
C17H28NO6+ (342.19165280000004)
[3-carboxy-2-[(3E,8E)-9-carboxynona-3,8-dienoyl]oxypropyl]-trimethylazanium
C17H28NO6+ (342.19165280000004)
[3-carboxy-2-[(2E,8E)-9-carboxynona-2,8-dienoyl]oxypropyl]-trimethylazanium
C17H28NO6+ (342.19165280000004)
[3-carboxy-2-[(4E,7E)-9-carboxynona-4,7-dienoyl]oxypropyl]-trimethylazanium
C17H28NO6+ (342.19165280000004)
[3-carboxy-2-[(5E,7E)-9-carboxynona-5,7-dienoyl]oxypropyl]-trimethylazanium
C17H28NO6+ (342.19165280000004)
[3-carboxy-2-[(4E,6E)-9-carboxynona-4,6-dienoyl]oxypropyl]-trimethylazanium
C17H28NO6+ (342.19165280000004)
[3-carboxy-2-[(4E,8E)-9-carboxynona-4,8-dienoyl]oxypropyl]-trimethylazanium
C17H28NO6+ (342.19165280000004)
[3-carboxy-2-[(3E,7E)-9-carboxynona-3,7-dienoyl]oxypropyl]-trimethylazanium
C17H28NO6+ (342.19165280000004)
(E)-5-[3,5-dihydroxy-2-(8-hydroxy-3-oxooctyl)cyclopentyl]pent-3-enoic acid
12-Hydroxy-13-(hydroxymethyl)-3,5,7-trimethyl-2,4-tetradecadienedioic acid
(4Z,7Z,10Z,13Z,15E,19Z)-17-Oxodocosahexaenoic acid
An oxodocosahexaenoic acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid in which the oxo group is located at position 17. An intermediate of specialised proresolving mediators.
(4Z,7Z,10Z,14E,16Z,19Z)-13-Oxodocosahexaenoic acid
An oxodocosahexaenoic acid that is (4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoic acid in which the oxo group is located at position 13. An intermediate of specialised proresolving mediators.
N-[(2S)-3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylbutanamide
4-(Dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile
1-Phenylethanone (5-allyl-6-methyl-2-phenyl-4-pyrimidinyl)hydrazone
omega-(3-Oxo-17-beta-hydroxy-4-androsten-17-alpha-yl) propionic acid lactone
1-(1,3-Benzodioxol-5-yl)-3-(5-tert-butyl-2-methoxyphenyl)urea
14-oxo-DoHE
An oxo fatty acid that consists of (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid carrying a single oxo substituent at position 14.
8-methoxy-3-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one
(R)-4-(tert-Butyldiphenylsilyloxy)-3-methyl-1-butanol
C21H30O2Si (342.20149599999996)
7-(2-Methyl-2,3-dihydroindol-1-yl)-3-(phenylmethyl)triazolo[4,5-d]pyrimidine
(4Z,7Z,10Z,13Z)-15-{(3R)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-ylidene}pentadeca-4,7,10,13-tetraenoic acid
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-methoxyphenyl)methylamino]propanamide
N-[4-methyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
(9S,16S)-dihydroperoxy-(10E,12Z,14E)-octadecatrienoic acid
(4S,7R)-4-(phenylmethyl)-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4S,7S)-4-(phenylmethyl)-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(5S,8S)-8-(phenylmethyl)-5-propan-2-yl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(4R,7R)-4-(phenylmethyl)-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4R,7S)-4-(phenylmethyl)-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(5R,8R)-8-(phenylmethyl)-5-propan-2-yl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(1R,5S)-6-(2-pyridinylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
2-[hydroxy-[(2R)-3-hydroxy-2-pentanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-beta-alanine
6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone
(4Z,7Z,10Z,13Z)-15-{(3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-ylidene}pentadeca-4,7,10,13-tetraenoic acid
(17R)-17-ethynyl-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
(2R,8R,9S,10R,13S,14S)-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3H-spiro[cyclopenta[a]phenanthrene-17,2-furan]-3,5(2H,4H)-dione
(10,13-Dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) propanoate
2-[(3-Hexoxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
ethyl (2R,3R)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
2-[Hydroxy-(2-hydroxy-3-pentanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
DISOXARIL
C20H26N2O3 (342.19433260000005)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
2,3-dinor-6-oxoprostaglandin F1alpha
A prostanoid that is prostaglandin F1alpha lacking two methylenes in the carboxyalkyl chain and bearing an oxo group at the 6-position.
TMC-86A
An epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by N-butanoyl-L-seryl-4-methylidenenorvalinyl group. It is a proteasome inhibitor isolated from Streptomyces.
(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid
A oxodocosahexaenoic acid that consists of (4Z,8E,10Z,13Z,16Z,19Z)-docosahexaenoic acid carrying an oxo substituent at position 7. An intermediate of specialised proresolving mediators.
7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone
A ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 7, a methoxy group at position 5 and a phenyl group at position 1. Isolated from Alpinia officinarum, it exhibits antineoplastic and inhibitory activity against prostaglandin biosynthesis.
3,3-Neotrehalosadiamine(2+)
An organic cation obtained by protonation of the two amino groups of 3,3-neotrehalosadiamine.
(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid
An epoxy fatty acid consisting of (4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid having an epoxy group located at the 16,17-position. An intermediate lipid in specialized proresolving mediators.
(S)-magnoflorine
C20H24NO4 (342.17052440000003)
An aporphine alkaloid that is (S)-corytuberine in which the nitrogen has been quaternised by an additional methyl group.
5'-O-TBDMS-dU
C15H26N2O5Si (342.16109059999997)
5'-O-TBDMS-dU can be used in the synthesis of oligoribonucleotides[1].