Exact Mass: 388.2726
Exact Mass Matches: 388.2726
Found 500 metabolites which its exact mass value is equals to given mass value 388.2726,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2alpha-Methyl-17beta-[(tetrahydro-2H-pyran-2-yl)oxy]-5alpha-androstan-3-one
5,6-Dihydroxyprostaglandin F1a
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 signaling pathways. [HMDB] 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.
Cavipetin C
Cavipetin C is found in mushrooms. Cavipetin C is a constituent of the edible mushroom Boletinus cavipes Constituent of the edible mushroom Boletinus cavipes. Cavipetin C is found in mushrooms.
Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate
Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate is found in fats and oils. Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate is isolated from Ginkgo biloba (ginkgo). Isolated from Ginkgo biloba (ginkgo). Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate is found in fats and oils.
7alpha-hydroxy-3-oxochol-4-en-24-oic Acid
7alpha-hydroxy-3-oxochol-4-en-24-oic Acid is also known as 3-oxo-7-Hydroxychol-4-enoic acid or 7-HOC acid. 7alpha-hydroxy-3-oxochol-4-en-24-oic Acid is considered to be practically insoluble (in water) and acidic. 7alpha-hydroxy-3-oxochol-4-en-24-oic Acid is a bile acid lipid molecule D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids 3-Oxo-7-hydroxychol-4-enoic acid is an endogenous metabolite. 3-Oxo-7-hydroxychol-4-enoic acid may be an important indicator of a poor prognosis in hepatobiliary disease[1].
17-N,N-Diethylcarbamoyl-4-methyl-4-azaandrostane-3-one
MG(18:1(12Z)-2OH(9,10)/0:0/0:0)
MG(18:1(12Z)-2OH(9,10)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/18:1(12Z)-2OH(9,10)/0:0)
MG(0:0/18:1(12Z)-2OH(9,10)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
(ent-13E,14E)-15,16-Diacetoxy-7,13(16),14-labdatriene
(2E,6S)- 6-[(1R,3aS,5Z,9R,10Z,12aR)-1,2,3,3a,4,7,8,9,12,12a-Decahydro-9-hydroxy-3a,6,10-trimethyl-1-cyclopentacycloundecenyl]-2-methyl-2-heptenoic acid
18-(3-Methylbutanoyl)----7,15-Pimaradiene-2,18-diol|2alpha-hydroxy-19-isovaleroyl-9-epi-ent-pimara-7,15-diene
8beta-hydroxy-11alpha-tiglinoyloxy-sandaracopimar-15-ene
rel-(1R,5R)-2-(1-farnesyl-5-hydroxy-2-oxocyclohex-3-en-1-yl)-acetic acid methyl ester
(1R*,3S*,4R*,6S*)-9-(Acetoxy)-4-hydroxy-1-[(2Z)-2-methylbut-2-enoyloxy]bisabol-10(11)-ene|18-Acetoxy-15??-hydroxymansumbinone|28-acetoxy-15alpha-hydroxymansumbinone
(5S)-5-hydroxy-((10Z,13Z)-2-oxononadeca-10,13-dienyl)cyclohex-2-enone|(5S)-5-hydroxy-<(10Z,13Z)-2-oxononadeca-10,13-dienyl>cyclohex-2-enone
rel-(3S,1R,2S)-3-(1-farnesyl-2-hydroxy-4-oxocyclopentan-1-yl)-3-methoxypropanoic acid lactone
15alpha-isobutyroyloxykaur-16-en-19-oic acid|15alpha-isobutyryloxy-ent-kaurenic acid
butyl (2Z)-2-[(1R,4E,10E,14R)-4,10,14-trimethyl-6-oxo-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-ylidene]propanoate|secosarcophinolide
1-O-acetyl-2-O-[(R)-3-hydroxyhexadecanoyl]-sn-glycerol
4,6,8,10,12,14,16-Heptamethyl-6,8,11-octadecatriene-3,5,13-trione
4-methoxy-6-ethoxy-2-[(8Z,11Z)-8,11,14-pentadecatriene]resorcinol
8beta-hydroxy-11alpha-senecioyloxy-sandaracopimar-15-ene
2alpha,19-diacetoxy-9-epi-ent-pimara-7,15-diene|Di-Ac-7,15-Pimaradiene-2,18-diol
Hexahydro-4-methoxy-4a-(3, 7, 11-trimethyl-2, 6, 10-dodecatrienyl)-cyclopenta[b]pyran-2, 6-dione, 9CI
(2-Acetyloxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)methyl acetate
Dimethyl-10-methoxy-9-hydroxy-octadecan-1,18-dioat
(1E,6E)-3-[(E)-acetoxymethylidene]-7-methyl-9-(2,6,6-trimethylcyclohex-2-enyl)nona-1,6-dienyl acetate
ent-14beta-tigloyloxy-19-norbeyer-15-en-19-hydroperoxide
6beta,18-diacetoxycassan-13,15-diene|6beta,18-dihydroxycassan-13,15-diene diacetate
3,6-Dioxo-5b-cholan-24-oic acid
BA-115-150. 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-115-120. 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-115-90. 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-115-60. 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-115-30. 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.
3,7-Dioxo-5b-cholan-24-oic acid
BA-116-150. 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-116-120. 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-116-90. 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-116-60. 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-116-30. 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.
3,12-Dioxo-5b-cholan-24-oic acid
BA-117-150. 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-117-120. 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-117-90. 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-117-60. 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-117-30. 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.
7,12-Dioxo-5b-cholan-24-oic acid
BA-118-120. 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-118-90. 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-118-60. 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-118-30. 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.
3,6-Dioxo-5a-cholan-24-oic acid
BA-124-120. 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-124-90. 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-124-60. 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-124-30. 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.
3,7-Dioxo-5a-cholan-24-oic acid
BA-125-150. 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-125-120. 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-125-90. 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-125-60. 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.
3,12-Dioxo-5a-cholan-24-oic acid
BA-126-150. 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-126-120. 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-126-90. 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-126-60. 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-126-30. 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.
7,12-Dioxo-5a-cholan-24-oic acid
BA-127-120. 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-127-90. 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.
methyl (4R)-4-((5R,9S,10S,12S,13R,17R)-12-hydroxy-10,13-dimethyl-2,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
(R)-4-((7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid
(R)-4-((5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl-, 17-acetate
Pregn-4-en-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,6a)-
Gly Gly Lys Lys
Gly Lys Gly Lys
Gly Lys Lys Gly
1α-hydroxy-25,26,27-trinorvitamin D3 24-carboxylic acid
1α-hydroxy-21-nor-20-oxavitamin D3 / 1α-hydroxy-21-nor-20-oxacholecalciferol
1α,25-dihydroxy-23,24-dinorvitamin D3 / 1α,25-dihydroxy-23,24-dinorcholecalciferol
1α,25-dihydroxy-26,27-dinorvitamin D3 / 1α,25-dihydroxy-26,27-dinorcholecalciferol
3α,12α-Dihydroxy-5β-chola-7,9(11)-dien-24-oic Acid
3α,12β-Dihydroxy-5β-chola-7,9(11)-dien-24-oic Acid
Cavipetin C
ascr#26
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (14R)-14-hydroxypentadecanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
oscr#26
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 15-hydroxypentadecanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
1alpha-hydroxy-25,26,27-trinorvitamin D3 24-carboxylic acid
1alpha-hydroxy-21-nor-20-oxavitamin D3 / 1alpha-hydroxy-21-nor-20-oxacholecalciferol
1alpha,25-dihydroxy-23,24-dinorvitamin D3
1alpha,25-dihydroxy-26,27-dinorvitamin D3
ST 24:3;O4
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids 3-Oxo-7-hydroxychol-4-enoic acid is an endogenous metabolite. 3-Oxo-7-hydroxychol-4-enoic acid may be an important indicator of a poor prognosis in hepatobiliary disease[1].
3-hydroxy-4R-methyl-2-(n-eicos-11-yn-19-enyl)but-2-enolide
3-[4-(N-Boc)piperazin-1-yl]phenylboronic acid pinacol ester
1,2-bis(ethenyl)benzene,buta-1,3-diene,methyl 2-methylprop-2-enoate,styrene
azepan-2-one,hexanedioic acid,2-piperazin-1-ylethanamine
TRANS-1-(4-PENTYLCYCLOHEXYL)-4-(2-(4-PROPOXYPHENYL)ETHYNYL)BENZENE
TRANS,TRANS-4-(4-PROPYLCYCLOHEXYL)-4-(4-ETHYLCYCLOHEXYL)-BIPHENYL
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
2-[4-(N-Boc)piperazin-1-yl]phenylboronic acid pinacol ester
2,8-Diazaspiro[4.5]decane-2,8-dicarboxylic acid, 2-(1,1-dimethylethyl) 8-(phenylmethyl) ester
Dehydrodeoxycholic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
(14R)-14-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentadecanoic acid
15-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentadecanoic acid
1alpha-hydroxy-21-nor-20-oxavitamin D3/1alpha-hydroxy-21-nor-20-oxacholecalciferol
(4R)-4-[(7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
[3-Carboxy-2-(3-hydroxytetradecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(2-hydroxytetradecanoyloxy)propyl]-trimethylazanium
[3-carboxy-2-[(E)-11-carboxy-3-hydroxyundec-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(Z)-11-carboxy-10-hydroxyundec-9-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-11-carboxy-3-hydroxyundec-5-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-11-carboxy-3-hydroxyundec-4-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-11-carboxy-3-hydroxyundec-9-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-11-carboxy-3-hydroxyundec-8-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(Z)-11-carboxy-10-hydroxyundec-10-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-11-carboxy-3-hydroxyundec-10-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-11-carboxy-3-hydroxyundec-7-enoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-(12-carboxydodecanoyloxy)propyl]-trimethylazanium
(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid
N-arachidonoyl-gamma-aminobutyrate
A monocarboxylic acid anion that is the conjugate base of N-arachidonoyl-gamma-aminobutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N-oleoyltaurine(1-)
A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-oleoyltaurine; major species at pH 7.3.
(13R)-13-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxotetradecanoic acid
14-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxotetradecanoic acid
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
(1R,9S,10S,11S)-12-(cyclopropylmethyl)-N-[3-(dimethylamino)propyl]-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
N-[[(2R,3S,4R)-1-acetyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid
2-{6-Oxo-6-[4-(L-phenylalanyl)-1-piperazinyl]hexyl}guanidine
methyl (4R)-4-((5R,9S,10S,12S,13R,17R)-12-hydroxy-10,13-dimethyl-2,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
N-[[(2S,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
N-[[(2S,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
(1S,9R,10R,11R)-12-(cyclopropylmethyl)-N-[3-(dimethylamino)propyl]-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1R,4S,5R,9S,10S,13R,15S)-5,9-dimethyl-14-methylidene-15-(2-methylpropanoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
[(2R)-3-carboxy-2-(12-carboxydodecanoyloxy)propyl]-trimethylazanium
(1S,2S,3E,7E,11E)-2,17-diacetoxycembra-3,7,11,15-tetraene
(1S,2R,3E,7E,11E)-2,17-diacetoxycembra-3,7,11,15-tetraene
(E,E)-(1R,2S,5R)-8-Phenylmenthyl 5-phenyl-2,4-pentadienoate
17alpha-Hydroxyprogesterone 3,20-bis(O-methyloxime)
2-(Trimethylsilyloxy)tetradecanoic acid trimethylsilyl ester
2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxyacetic acid
[1-carboxy-3-[3-[(E)-dec-4-enoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium
7alpha-Hydroxy-3-oxochol-4-en-24-oic Acid
A 3-oxo Delta(4)-steroid that is 3-oxochol-4-en-24-oic acid carrying an additional 7alpha-hydroxy substituent. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids 3-Oxo-7-hydroxychol-4-enoic acid is an endogenous metabolite. 3-Oxo-7-hydroxychol-4-enoic acid may be an important indicator of a poor prognosis in hepatobiliary disease[1].
3alpha-Hydroxy-12-oxo-5beta-chol-9(11)-en-24-oic Acid
3beta-Hydroxy-12-oxo-5beta-chol-9(11)-en-24-oic Acid
12alpha-Hydroxy-3-oxo-5beta-chol-9(11)-en-24-oic Acid
3alpha-Hydroxy-12-oxo-5beta-chol-8(14)-en-24-oic Acid
3alpha,12alpha-Dihydroxy-5beta-chola-7,14-dien-24-oic Acid
3alpha,12alpha-Dihydroxy-5beta-chola-8,14-dien-24-oic Acid
3alpha,12beta-Dihydroxy-5beta-chola-7,9(11)-dien-24-oic Acid
3alpha,12alpha-Dihydroxy-5beta-chola-7,9(11)-dien-24-oic Acid
[2-(acetyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methyl acetate
(1r,2s,3r,10e,14s)-2-acetyl-4-isopropyl-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-3-yl acetate
14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-6-yl 2-methylbut-2-enoate
methyl 2-methoxy-6-[(8z,13s)-13-methylpentadec-8-en-1-yl]benzoate
(1r,4r,5r,9s,10s,13r,16s)-5-hydroperoxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-16-yl (2e)-2-methylbut-2-enoate
1-[(1r,4ar,7r,10as)-7-ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2h-phenanthren-1-yl]methyl 3-methyl propanedioate
2-hydroxy-6-[(8z,11z,14r)-14-hydroxyheptadeca-8,11-dien-1-yl]benzoic acid
(1s,2s,3s,5r,6s,9s,13s,14r,17r,19r)-9-isopropyl-2,6,13,17-tetramethyl-18-oxapentacyclo[15.1.1.0²,¹⁴.0⁵,¹³.0⁶,¹⁰]nonadec-10-ene-3,19-diol
methyl 2-methoxy-6-(13-methylpentadec-8-en-1-yl)benzoate
[(1s,4ar,5s,8ar)-5-[(3r)-3-hydroxy-3-methylpent-4-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalen-1-yl]methyl (2e)-2-methylbut-2-enoate
1-methyl 3-{5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-5-yl}methyl propanedioate
5b,8,8,11a,13a-pentamethyl-1h,3h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h,13bh-chryseno[1,2-c]furan-1,13-diol
13-(1-carboxyethyl)-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid
(2z)-3-(4-hydroxyphenyl)prop-2-en-1-yl hexadecanoate
4-ethoxy-6-methoxy-2-[(8z,11z)-pentadeca-8,11,14-trien-1-yl]benzene-1,3-diol
(1s,2s)-3-[(3s,3as,6s,7ar,10r,10ar,10bs)-3,6,7a,10-tetramethyl-1h,2h,3h,4h,5h,6h,8h,9h,10ah,10bh-cyclopenta[d]s-indacen-10-yl]-1-[(2s)-2-methyloxiran-2-yl]propane-1,2-diol
1-acetyl-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-10-one
6-{9-hydroxy-3a,6,10-trimethyl-1h,2h,3h,4h,7h,8h,9h,12h,12ah-cyclopenta[11]annulen-1-yl}-2-methylhept-2-enoic acid
(1r,2r,4s,7s,8s,11s,12r,14s,17r,18s)-1-hydroxy-17-isopropyl-2,7,11,14-tetramethyl-3-oxapentacyclo[10.7.0.0²,⁴.0⁴,⁸.0¹⁴,¹⁸]nonadecan-16-one
(1r,5as,5br,7as,11as,11br,13r,13as,13bs)-5b,8,8,11a,13a-pentamethyl-1h,3h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h,13bh-chryseno[1,2-c]furan-1,13-diol
[(4as,5r,8as)-1-[(acetyloxy)methyl]-4a-methyl-6-methylidene-5-[(2e)-3-methylpenta-2,4-dien-1-yl]-hexahydro-2h-naphthalen-1-yl]methyl acetate
4-oxo-4-{[(1r,4s,5s,9s,10r,13s)-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-5-yl]methoxy}butanoic acid
(6e,8e,11e)-4,6,8,10,12,14,16-heptamethyloctadeca-6,8,11-triene-3,5,13-trione
18-acetoxy-15α-hydroxymansumbinone
{"Ingredient_id": "HBIN002084","Ingredient_name": "18-acetoxy-15\u03b1-hydroxymansumbinone","Alias": "NA","Ingredient_formula": "C24H36O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "229","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r*,3s*,4r*,6s*)-9-(acetoxy)-4-acetoxy-1-[(2z)-2-methylbut-2-enoyloxy]bisabol-10(11)-ene
{"Ingredient_id": "HBIN003106","Ingredient_name": "(1r*,3s*,4r*,6s*)-9-(acetoxy)-4-acetoxy-1-[(2z)-2-methylbut-2-enoyloxy]bisabol-10(11)-ene","Alias": "NA","Ingredient_formula": "C24H36O4","Ingredient_Smile": "CC(=O)OCC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(C(C=C4)O)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "119","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r*,3s*,4r*,6s*)-9-(acetoxy)-4-hydroxy-1-[(2z)-2-methylbut-2-enoyloxy]bisabol-10(11)-ene
{"Ingredient_id": "HBIN003108","Ingredient_name": "(1r*,3s*,4r*,6s*)-9-(acetoxy)-4-hydroxy-1-[(2z)-2-methylbut-2-enoyloxy]bisabol-10(11)-ene","Alias": "NA","Ingredient_formula": "C24H36O4","Ingredient_Smile": "CC(=O)OCC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(C(C=C4)O)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "230","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-n-tridecyl-5,7-dihydroxy-6,8-dimethyl chromone
{"Ingredient_id": "HBIN006157","Ingredient_name": "2-n-tridecyl-5,7-dihydroxy-6,8-dimethyl chromone","Alias": "2-n-tridecyl-5,7-dihydroxy-6,8-dimethyl chro-mone","Ingredient_formula": "C24H36O4","Ingredient_Smile": "Not Available","Ingredient_weight": "388.6","OB_score": "3.272540274","CAS_id": "NA","SymMap_id": "SMIT00865","TCMID_id": "21607","TCMSP_id": "MOL006581","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bis(2-methylheptyl)phthalate
{"Ingredient_id": "HBIN018555","Ingredient_name": "bis(2-methylheptyl)phthalate","Alias": "NA","Ingredient_formula": "C24H36O4-2","Ingredient_Smile": "CCCCCC(C)CC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC(C)CCCCC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32954","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
