Exact Mass: 374.25296879999996
Exact Mass Matches: 374.25296879999996
Found 500 metabolites which its exact mass value is equals to given mass value 374.25296879999996,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dehydrolithocholic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
3,21-dihydroxy-4,4,14-trimethylpregn-8-en-20-one
Androst-5-ene-3beta,17beta-diol 3-tetrahydropyranyl ether
Jasmolin II
Calcitroic acid
Calcitroic acid (1 alpha-hydroxy-23 carboxy-24,25,26,27-tetranorvitamin D(3)) is a metabolite of 1 alpha, 25-dihydroxyvitamin D(3) (calcitriol). It is soluble in water, and is excreted in urine. This deactivation process involves a series of oxidation reactions at C24 and C23 leading to side-chain cleavage and, ultimately, formation of the calcitroic acid. This deactivation involves the loss of carbons 24, 25, 26, and 27 and the oxidation of carbon 23 to a carboxylic acid. Calcitroic acid is also a major terminal product for the deactivation of 1α,25-dihydroxyvitamin D2. Both the kidney and the intestine metabolize 1,25-dihydroxyvitamin D3 through the C-24 oxidation pathway according to the following steps: 1,25-dihydroxyvitamin D3----1,24,25-trihydroxyvitamin D3----1,25-dihydroxy-24-oxovitamin D3-----1,23,25-trihydroxy-24-oxovitamin D3 (PMID: 2719932). The C-24 oxidation pathway leading to the formation of calcitroic acid has been reported to be present in bone cells, but the C-23 oxidation pathway leading to the formation of 1 alpha, 25-(OH)2D3-26,23-lactone has not been described in bone cells, even though 1 alpha, 25-(OH)2D3-26,23-lactone is noted to have a significant effect on bone formation. (PMID: 7664636) [HMDB] Calcitroic acid (1 alpha-hydroxy-23 carboxy-24,25,26,27-tetranorvitamin D(3)) is a metabolite of 1 alpha, 25-dihydroxyvitamin D(3) (calcitriol). It is soluble in water, and is excreted in urine. This deactivation process involves a series of oxidation reactions at C24 and C23 leading to side-chain cleavage and, ultimately, formation of the calcitroic acid. This deactivation involves the loss of carbons 24, 25, 26, and 27 and the oxidation of carbon 23 to a carboxylic acid. Calcitroic acid is also a major terminal product for the deactivation of 1α,25-dihydroxyvitamin D2. Both the kidney and the intestine metabolize 1,25-dihydroxyvitamin D3 through the C-24 oxidation pathway according to the following steps: 1,25-dihydroxyvitamin D3----1,24,25-trihydroxyvitamin D3----1,25-dihydroxy-24-oxovitamin D3-----1,23,25-trihydroxy-24-oxovitamin D3 (PMID: 2719932). The C-24 oxidation pathway leading to the formation of calcitroic acid has been reported to be present in bone cells, but the C-23 oxidation pathway leading to the formation of 1 alpha, 25-(OH)2D3-26,23-lactone has not been described in bone cells, even though 1 alpha, 25-(OH)2D3-26,23-lactone is noted to have a significant effect on bone formation. (PMID: 7664636). D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
Methylprednisolone
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AA - Corticosteroids, combinations for treatment of acne D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AA - Corticosteroids, weak (group i) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D000893 - Anti-Inflammatory Agents D020011 - Protective Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 904; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8731; ORIGINAL_PRECURSOR_SCAN_NO 8728 CONFIDENCE standard compound; INTERNAL_ID 904; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8721; ORIGINAL_PRECURSOR_SCAN_NO 8719 CONFIDENCE standard compound; INTERNAL_ID 904; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8747; ORIGINAL_PRECURSOR_SCAN_NO 8745 CONFIDENCE standard compound; INTERNAL_ID 904; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8759; ORIGINAL_PRECURSOR_SCAN_NO 8757 CONFIDENCE standard compound; INTERNAL_ID 904; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8784; ORIGINAL_PRECURSOR_SCAN_NO 8783 CONFIDENCE standard compound; INTERNAL_ID 904; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8757; ORIGINAL_PRECURSOR_SCAN_NO 8755 CONFIDENCE standard compound; INTERNAL_ID 2810 CONFIDENCE standard compound; INTERNAL_ID 1076 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2621
2-(10-Heptadecenyl)-6-hydroxybenzoic acid
2-(10-Heptadecenyl)-6-hydroxybenzoic acid is found in fats and oils. 2-(10-Heptadecenyl)-6-hydroxybenzoic acid is isolated from Ginkgo biloba (ginkgo). 2-(10-Heptadecenyl)-6-hydroxybenzoic acid is a natural product found in Knema laurina, Ginkgo biloba, and Spondias mombin with data available. Isolated from Ginkgo biloba (ginkgo). 2-(10-Heptadecenyl)-6-hydroxybenzoic acid is found in fats and oils. Ginkgolic acid C17:1, extracted from Ginkgo biloba Leaves, suppresses constitutive and inducible STAT3 activation through induction of PTEN and SHP-1 tyrosine phosphatase. Ginkgolic acid C17:1 has anticancer effects[1]. Ginkgolic acid C17:1, extracted from Ginkgo biloba Leaves, suppresses constitutive and inducible STAT3 activation through induction of PTEN and SHP-1 tyrosine phosphatase. Ginkgolic acid C17:1 has anticancer effects[1].
Methylprednisolone
Methylprednisolone is only found in individuals that have used or taken this drug. It is a prednisolone derivative with similar anti-inflammatory action. [PubChem]Unbound glucocorticoids cross cell membranes and bind with high affinity to specific cytoplasmic receptors, modifying transcription and protein synthesis. By this mechanism, glucocorticoids can inhibit leukocyte infiltration at the site of inflammation, interfere with mediators of inflammatory response, and suppress humoral immune responses. The antiinflammatory actions of corticosteroids are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes. H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AA - Corticosteroids, combinations for treatment of acne D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AA - Corticosteroids, weak (group i) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D000893 - Anti-Inflammatory Agents D020011 - Protective Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Tsangane L 3-glucoside
Tsangane L 3-glucoside is isolated from sloe tree leaves (Prunus spinosa). Potential aroma compound. Isolated from sloe tree leaves (Prunus spinosa). Potential aroma compound
D8'-Merulinic acid C
D8-Merulinic acid C is isolated from pistachio shells. Isolated from pistachio shells
(-)-Folicanthine
(-)-Folicanthine is found in herbs and spices. (-)-Folicanthine is an alkaloid from Calycanthus floridus (Carolina allspice) and Calycanthus occidentalis (Californian allspice
3b-Hydroxy-5-cholenoic acid
3b-Hydroxy-5-cholenoic acid, also known as 3b-hydroxy-chol-5-en-24-oate or cholenate, belongs to the class of organic compounds known as monohydroxy bile acids. These are bile acids bearing a hydroxyl group. Bile acids facilitate fat absorption and cholesterol excretion. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, and depends only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine, and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH, and consequently require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487 , 16037564 , 12576301 , 11907135 ). When present in sufficiently high levels, bile acids can act as hepatotoxins and metabotoxisn. A hepatotoxin causes damage to the liver or liver cells. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Among the primary bile acids, cholic acid is considered to be the least hepatotoxic while deoxycholic acid is the most hepatoxic (PMID: 1641875 ). The liver toxicity of bile acids appears to be due to their ability to peroxidate lipids and to lyse liver cells. Chronically high levels of cholic acid are associated with familial hypercholanemia. In hypercholanemia, bile acids are elevated in the blood. This disease causes liver damage, extensive itching, poor fat absorption, and can lead to rickets due to lack of calcium in bones. The deficiency of normal bile acids in the intestines results in a deficiency of vitamin K, which also adversely affects clotting of the blood. 3b-Hydroxy-5-cholenoic acid is a monohydroxy bile acid of endogenous origin. It is found in biologic fluids beginning in fetal life. (PMID 5567561; 4803245; 93138) Large amounts of 3 beta-hydroxy-5-cholenoic acid could be found in children with the syndrome of hepatic ductular hypoplasia (PMID 3987031) [HMDB] D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids 3b-Hydroxy-5-cholenoic acid is a monohydroxy bile acid of endogenous origin and could be found in children with the syndrome of hepatic ductular hypoplasia.
omega-hydroxyfinasteride
omega-hydroxyfinasteride is a metabolite of finasteride. Finasteride (brand names Proscar and Propecia by Merck, among other generic names) is a synthetic 5α-reductase inhibitor, an inhibitor of the enzyme that converts testosterone to dihydrotestosterone (DHT). Finasteride is approved for the treatment of benign prostatic hyperplasia (BPH) and male pattern baldness (MPB). (Wikipedia)
Digitoxigenin
Rostafuroxin
phytyl monophosphate
Phytyl monophosphate is also known as phytyl monophosphoric acid. Phytyl monophosphate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Phytyl monophosphate can be found in a number of food items such as vanilla, chinese cabbage, lovage, and oat, which makes phytyl monophosphate a potential biomarker for the consumption of these food products.
3-Oxo-5beta-cholanoic acid
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-2-yloxy]oxane-3,4,5-triol
21-ACETOXYPREGNENOLONE
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
12-O-methylcarnosic acid methyl ester|methyl 12-O-carnosoate
rel-(1R,4S,5R)-2-(1-farnesyl-4,5-dihydroxy-2-oxocyclohexan-1-yl)-acetic acid delta-lactone
3beta,16beta-Dihydroxy-6-oxo-24-nor-5alpha-cholansaeure-23-lacton|Chiogralacton|Chiogralactone
2-methoxy-6-(8-pentadecenyl)-benzoic acid methyl ester
(+)-(5S,8S,9R,10S)-15,20-dimethoxypuupehenol|15,20-dimethoxypuupehenol
ent-12beta-acetoxykaur-16-en-19-oic acid methyl ester
3-Ac-(3beta,16alpha)-3,16-Dihydroxypregn-5-en-20-one
Cannabigerolinsaeure-methylester|Methyl-cannabigerolat
(3beta,5alpha,6beta,14alpha)-3,6-Dihydroxy-4,4,14-trimethylpregn-8-en-20-one
2H-Pyran-2-acetic acid, tetrahydro-6-(10-phenyldecyl)-, methyl ester
2,2,6-Trimethyl-4-(butanoyloxymethyl)-5-[2-(butanoyloxy)ethyl]indan
(3beta,5beta,14beta,15beta,20R,21R,22S)-14,21:15,21:20,22-triepoxy-24-norcholan-3-ol
(3S,3aS,5aR,9S,11S,13bR)-3-[(2S)-2,4-dihydroxybutan-2-yl]-1,2,3,3a,4,5,5a,8,9,10,11,13b-dodecahydro-9-hydroxy-3a-methyl-12H-6,11-methanocyclodeca[e]inden-12-one|norcyclocitrinol A
ent-7alpha-acetoxytrachyloban-18-oic acid|trachylobane-360
methyl 12(S)-acetoxy-5(Z),8(Z),10(E),14(Z)-eicosapentaenoate
(Z,Z)-2,5-dihydroxy-3-(heptadeca-8,11-dienyl)-1,4-benzoquinone|2-(heptadeca-8,11-dienyl)-3,6-dihydroxy-1,4-benzoquinone
(Z)-1-(3,4-dihydroxyphenyl)octadec-13-en-5-one|3-Hydroxy,3,14-Didehydro(Z)-1-(4-Hydroxyphenyl)-5-octadecanone
6alpha-butyryloxy-9alpha,13-epoxy-labda-7,14-diene
Di-Me ester-(9S,10S)-9,10-Dihydroxyoctadecanedioic acid
7,7-dimethyl-2,6-di(gamma,gamma-dimethylallyl)-4-(1-oxo-2-methylpropyl)-1,2,3,4-tetrahydrofurano[1,4-af]cyclohexa-1,3-dione|garcinielliptone J
(8alpha,12S,13S,14S)-14-Chloro-8,12-epoxy-13,15,16-labdanetriol
C20H35ClO4 (374.22237400000006)
5-methoxycannabigerolic acid|cannabigerolic acid monomethyl ether
2-(Z,Z)-octadeca-9,12-dienoylcyclohexane-1,3-dione|2-[(9Z,12Z)-octadeca-9,12-dienoyl]cyclohexane-1,3-dione
4,6-dimethoxy-2-[(8Z,11Z)-8,11,14-pentadecatriene]resorcinol
(5alpha,12beta,17beta)-17-acetyl-12-hydroxy-4,4,8,10,14-pentamethylgonan-3-one|cylindrictone E
(+)-(10R,7Z,11E,13Z,16Z,19Z)-ethyl 10-hydroxy-7,11,13,16,19-docosapentaenoate
(14R)-ent-Kaur-16-en-14-yl hydrogen malonate|ent-16-kauren-14R-yl hydrogen malonate
Pallasone
Irisquinone is a natural product found in Iris pallasii, Iris sibirica, and other organisms with data available.
C19H34O7_4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanyl beta-D-glucopyranoside
3b-Hydroxy-5-cholenoic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids 3b-Hydroxy-5-cholenoic acid is a monohydroxy bile acid of endogenous origin and could be found in children with the syndrome of hepatic ductular hypoplasia.
2-hydroxy-4-methoxy-3,5-bis(3-methylbut-2-enyl)-6-pentylbenzoic acid
3-Oxo-5b-cholan-24-oic Acid
BA-111-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-111-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
6-Oxo-5b-cholan-24-oic Acid
BA-112-150. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-112-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-112-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-112-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-112-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
7-Oxo-5b-cholanic acid
BA-113-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-113-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-113-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-113-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
12-Oxo-5b-cholan-24-ic acid
BA-114-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-114-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-114-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-114-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
3-Oxo-5a-cholan-24-oic acid
BA-120-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-120-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-120-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-120-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
6-Oxo-5a-cholan-24-oic acid
BA-121-150. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-121-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-121-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-121-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
7-Oxo-5a-cholan-24-oic acid
BA-122-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-122-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-122-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
12-Oxo-5a-cholan-24-oic acid
BA-123-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-123-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-123-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-123-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
Digitoxigenin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 23
(R)-4-((5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Ala Ala Ile Thr
Ala Ala Leu Thr
Ala Ala Thr Ile
Ala Ala Thr Leu
Ala Ile Ala Thr
Ala Ile Thr Ala
Ala Leu Ala Thr
Ala Leu Thr Ala
Ala Ser Val Val
Ala Thr Ala Ile
Ala Thr Ala Leu
Ala Thr Ile Ala
Ala Thr Leu Ala
Ala Val Ser Val
Ala Val Val Ser
Gly Ile Ser Val
Gly Ile Val Ser
Gly Leu Ser Val
Gly Leu Val Ser
Gly Ser Ile Val
Gly Ser Leu Val
Gly Ser Val Ile
Gly Ser Val Leu
Gly Thr Val Val
Gly Val Ile Ser
Gly Val Leu Ser
Gly Val Ser Ile
Gly Val Ser Leu
Gly Val Thr Val
Gly Val Val Thr
Ile Ala Ala Thr
Ile Ala Thr Ala
Ile Gly Ser Val
Ile Gly Val Ser
Ile Ser Gly Val
Ile Ser Val Gly
Ile Thr Ala Ala
Ile Val Gly Ser
Ile Val Ser Gly
Leu Ala Ala Thr
Leu Ala Thr Ala
Leu Gly Ser Val
Leu Gly Val Ser
Leu Ser Gly Val
Leu Ser Val Gly
Leu Thr Ala Ala
Leu Val Gly Ser
Leu Val Ser Gly
Ser Ala Val Val
Ser Gly Ile Val
Ser Gly Leu Val
Ser Gly Val Ile
Ser Gly Val Leu
Ser Ile Gly Val
Ser Ile Val Gly
Ser Leu Gly Val
Ser Leu Val Gly
Ser Val Ala Val
Ser Val Gly Ile
Ser Val Gly Leu
Ser Val Ile Gly
Ser Val Leu Gly
Ser Val Val Ala
Thr Ala Ala Ile
Thr Ala Ala Leu
Thr Ala Ile Ala
Thr Ala Leu Ala
Thr Gly Val Val
Thr Ile Ala Ala
Thr Leu Ala Ala
Thr Val Gly Val
Thr Val Val Gly
Val Ala Ser Val
Val Ala Val Ser
Val Gly Ile Ser
Val Gly Leu Ser
Val Gly Ser Ile
Val Gly Ser Leu
Val Gly Thr Val
Val Gly Val Thr
Val Ile Gly Ser
Val Ile Ser Gly
Val Leu Gly Ser
Val Leu Ser Gly
Val Ser Ala Val
Val Ser Gly Ile
Val Ser Gly Leu
Val Ser Ile Gly
Val Ser Leu Gly
Val Ser Val Ala
Val Thr Gly Val
Val Thr Val Gly
Val Val Ala Ser
Val Val Gly Thr
Val Val Ser Ala
Val Val Thr Gly
(5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholatriene-1,3,24-triol
Cholenate
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids 3b-Hydroxy-5-cholenoic acid is a monohydroxy bile acid of endogenous origin and could be found in children with the syndrome of hepatic ductular hypoplasia.
Calcitroate
(-)-Folicanthine
Ginkgolic acid 17:1
Ginkgolic acid C17:1, extracted from Ginkgo biloba Leaves, suppresses constitutive and inducible STAT3 activation through induction of PTEN and SHP-1 tyrosine phosphatase. Ginkgolic acid C17:1 has anticancer effects[1]. Ginkgolic acid C17:1, extracted from Ginkgo biloba Leaves, suppresses constitutive and inducible STAT3 activation through induction of PTEN and SHP-1 tyrosine phosphatase. Ginkgolic acid C17:1 has anticancer effects[1].
Tsangane L 3-glucoside
4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanyl ?-D-glucopyranoside
ascr#24
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (13R)-13-hydroxymyristic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
oscr#24
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 14-hydroxytetradecanoic acid (14-hydroxymyristic acid) with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
Uzarigenin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
Calcitroic acid
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
1alpha,24-dihydroxy-25,26,27-trinorvitamin D3
(-)-N,N-(1R,2R)-1,2-DIAMINOCYCLOHEXANEDIYLBIS(2-PYRIDINECARBOXAMIDE)
Pirmenol hydrochloride
Pirmenol ((±)-Pirmenol) hydrochloride is an orally active antiarrhythmic agent. Pirmenol hydrochloride inhibits IK.ACh (IC50: 0.1 μM) by blocking mAchR. Pirmenol hydrochloride can be used in the research of cardiovascular disease, such as atrial fibrillation[1][2][4].
TRANS,TRANS-4-FLUOROPHENYL 4-PENTYLBICYCLOHEXYL-4-CARBOXYLATE
(2R,5S)-5-AMINO-8-GUANIDINO-4-OXO-2-PHENYLMETHYLOCTANOICACIDSULFATE
bis(2-ethylhexyl) 2,2-thiobisacetate
C20H38O4S (374.24906680000004)
Lysine, N2,N6-dicarboxy-, di-tert-butyl 1-ethyl ester
1,1,3,3-TETRAMETHYL-1,3-BIS[2-(5-NORBORNEN-2-YL)ETHYL]DISILOXANE
Decanamide, N-[(1R,2R)-2-hydroxy-2-phenyl-1-(1-pyrrolidinylmethyl)ethyl]-
C23H38N2O2 (374.29331279999997)
Benzyl 2-((Tert-Butoxycarbonyl)Amino)-7-Azaspiro[3.5]Nonane-7-Carboxylate
2-[9-(diethylamino)-1,2,3,4,4a,6,6a,12b-octahydrobenzo[a]phenoxazin-5-ylidene]propanedinitrile
4-ethyl-2-methylideneoctanoic acid,2-methylprop-2-enoic acid,styrene
8-Benzyl 1-(2-methyl-2-propanyl) 1,8-diazaspiro[4.5]decane-1,8-di carboxylate
Rostafuroxin
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
Thiourea, N-cyclopentyl-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-(2-methoxyethyl)- (9CI)
Diethyl 5,5-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate)
3-Oxo-4-aza-5a-androstane-17-beta-(N-tert-butylcarboxamide)
C23H38N2O2 (374.29331279999997)
butyl 2-methylprop-2-enoate,butyl prop-2-enoate,styrene
Tinabinol
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
Icosabutate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
2-(Pyrrolidin-1-yl)cyclohexyl (3-(pentyloxy)phenyl)carbamate
N-[3-(1-imidazolyl)propyl]-2-methyl-3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinamine
(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid
4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
2-(Hydroxymethyl)-6-[4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-2-yloxy]oxane-3,4,5-triol
Digitoxigenin
(13R)-13-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tetradecanoic acid
14-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tetradecanoic acid
[(E)-3,7,11,15-tetramethylhexadec-2-enyl] phosphate
[(1S)-3-carboxy-1-(11-carboxyundecanoyloxy)propyl]-trimethylazanium
C19H36NO6+ (374.25424960000004)
[3-Carboxy-2-(11-carboxyundecanoyloxy)propyl]-trimethylazanium
C19H36NO6+ (374.25424960000004)
[3-Carboxy-2-(3-hydroxytridecanoyloxy)propyl]-trimethylazanium
C20H40NO5+ (374.29063300000007)
tuberostemonine A
A natural product found particularly in Stemona tuberosa and Stemona sessilifolia.
N-arachidonoyl-L-alaninate
An N-acyl-L-alpha-amino acid anion that is the conjugate base of N-arachidonoyl-L-alanine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2-(4-ethylphenyl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamide
1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one
acetic acid [(1S)-1-hydroxy-1,10a,12a-trimethyl-8-oxo-2,3,4,4a,4b,5,6,9,10,10b,11,12-dodecahydrochrysen-2-yl] ester
13-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxotridecanoic acid
(12R)-12-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxotridecanoic acid
cyclohexyl-[(1R,5S)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[[(2R,3R,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methoxyethyl)acetamide
(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C20H30N4O3 (374.23177899999996)
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
N-[[(2S,3S,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methoxyethyl)acetamide
N-[[(2R,3S,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methoxyethyl)acetamide
N-[[(2S,3R,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methoxyethyl)acetamide
(1R,5S)-6-(oxan-4-ylmethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one
[(2R)-3-carboxy-2-(11-carboxyundecanoyloxy)propyl]-trimethylazanium
C19H36NO6+ (374.25424960000004)
[3-Carboxy-1-(11-carboxyundecanoyloxy)propyl]-trimethylazanium
C19H36NO6+ (374.25424960000004)
3,5,5-Trimethyl-4-[3-[(beta-D-glucopyranosyl)oxy]butyl]-3-cyclohexen-1-ol
(1R,2S,4aS,5R,6R)-5-(2-hydroxyethyl)-1,5-bis(hydroxymethyl)-1,4a,6-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2-oxolane]-2-ol;hydrate
N-(2-hydroxypropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
15-hydroxy-tetracosa-6,9,12,16,18-pentaenoic acid
An oxylipin that is the 15-hydoxy derivative of (6Z,9Z,12Z,16E,18Z)-tetracosa-6,9,12,16,18-pentaenoic acid. Isolated from soft cora Sinularia numerosa, it exhibits anti-angiogenic activity.