Exact Mass: 374.261
Exact Mass Matches: 374.261
Found 500 metabolites which its exact mass value is equals to given mass value 374.261,
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
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
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].
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
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
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
(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)
TRANS,TRANS-4-FLUOROPHENYL 4-PENTYLBICYCLOHEXYL-4-CARBOXYLATE
(2R,5S)-5-AMINO-8-GUANIDINO-4-OXO-2-PHENYLMETHYLOCTANOICACIDSULFATE
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]-
Benzyl 2-((Tert-Butoxycarbonyl)Amino)-7-Azaspiro[3.5]Nonane-7-Carboxylate
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
Diethyl 5,5-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate)
3-Oxo-4-aza-5a-androstane-17-beta-(N-tert-butylcarboxamide)
butyl 2-methylprop-2-enoate,butyl prop-2-enoate,styrene
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
[3-Carboxy-2-(11-carboxyundecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3-hydroxytridecanoyloxy)propyl]-trimethylazanium
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.
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
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
(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
[3-Carboxy-1-(11-carboxyundecanoyloxy)propyl]-trimethylazanium
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.
(20S,22E)-3beta-Hydroxy-5alpha-chol-22-en-24-oic Acid
4-[(3as,5ar,7s,9as,11ar)-3a,7-dihydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
3-(3,7-dimethylocta-2,6-dien-1-yl)-2-hydroxy-4-methoxy-6-pentylbenzoic acid
methyl 6-(acetyloxy)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2h-phenanthrene-1-carboxylate
2-(heptadec-10-en-1-yl)-6-methoxycyclohexa-2,5-diene-1,4-dione
(1r,4s,7e,9s,10s,13s)-5,5,9,13-tetramethyl-7-(phenylmethylidene)tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-6-one
methyl 2-[(2s,6s)-6-(10-phenyldecyl)oxan-2-yl]acetate
3-oxo-3-{[(1r,4s,5r,9s,10r,13s)-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-5-yl]methoxy}propanoic acid
3-(heptadeca-8,11-dien-1-yl)-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
4,6-dimethoxy-2-[(8z,11z)-pentadeca-8,11,14-trien-1-yl]benzene-1,3-diol
(2r,3r,4r,5s,6r)-2-{[(1r)-4-[(3r)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (1r,4ar,4bs,6r,7s)-6-(acetyloxy)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthrene-1-carboxylate
4-{3a,4-dihydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl}-5h-furan-2-one
methyl 2-[1-(acetyloxy)-6-methylhepta-2,5-dien-2-yl]-5-methyl-9-methylidenecyclonon-5-ene-1-carboxylate
1-[(1s,3ar,5r,5ar,7s,9as,11ar)-5,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone
3-[(8z,11z)-heptadeca-8,11-dien-1-yl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
methyl (4ar)-7-isopropyl-5,6-dimethoxy-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate
(15r,16e)-15-hydroxytetracosa-6,9,12,16,18-pentaenoic acid
(3r,9s)-megastigman-5-en-3,9-diol-3-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN009577","Ingredient_name": "(3r,9s)-megastigman-5-en-3,9-diol-3-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H34O7","Ingredient_Smile": "CC1=C(C(CC(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)C)CCC(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13636","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-(10'z-heptadecenyl)salicylicacid
{"Ingredient_id": "HBIN011996","Ingredient_name": "6-(10'z-heptadecenyl)salicylicacid","Alias": "NA","Ingredient_formula": "C24H38O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9388","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alatoside e
{"Ingredient_id": "HBIN015048","Ingredient_name": "alatoside e","Alias": "NA","Ingredient_formula": "C19H34O7","Ingredient_Smile": "CC1CC(CC(C1CCC(=O)C)(C)C)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "374.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "842","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11025164","DrugBank_id": "NA"}
