Exact Mass: 388.2587
Exact Mass Matches: 388.2587
Found 500 metabolites which its exact mass value is equals to given mass value 388.2587,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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.
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].
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
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
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-methoxy-6-ethoxy-2-[(8Z,11Z)-8,11,14-pentadecatriene]resorcinol
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.
(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
Ala Ile Ser Val
Ala Ile Val Ser
Ala Leu Ser Val
Ala Leu Val Ser
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)-
Ala Ser Ile Val
Ala Ser Leu Val
Ala Ser Val Ile
Ala Ser Val Leu
Ala Thr Val Val
Ala Val Ile Ser
Ala Val Leu Ser
Ala Val Ser Ile
Ala Val Ser Leu
Ala Val Thr Val
Ala Val Val Thr
Gly Gly Lys Lys
Gly Ile Ile Ser
Gly Ile Leu Ser
Gly Ile Ser Ile
Gly Ile Ser Leu
Gly Ile Thr Val
Gly Ile Val Thr
Gly Lys Gly Lys
Gly Lys Lys Gly
Gly Leu Ile Ser
Gly Leu Leu Ser
Gly Leu Ser Ile
Gly Leu Ser Leu
Gly Leu Thr Val
Gly Leu Val Thr
Gly Ser Ile Ile
Gly Ser Ile Leu
Gly Ser Leu Ile
Gly Ser Leu Leu
Gly Thr Ile Val
Gly Thr Leu Val
Gly Thr Val Ile
Gly Thr Val Leu
Gly Val Ile Thr
Gly Val Leu Thr
Gly Val Thr Ile
Gly Val Thr Leu
Ile Ala Ser Val
Ile Ala Val Ser
Ile Gly Ile Ser
Ile Gly Leu Ser
Ile Gly Ser Ile
Ile Gly Ser Leu
Ile Gly Thr Val
Ile Gly Val Thr
Ile Ile Gly Ser
Ile Ile Ser Gly
Ile Leu Gly Ser
Ile Leu Ser Gly
Ile Ser Ala Val
Ile Ser Gly Ile
Ile Ser Gly Leu
Ile Ser Ile Gly
Ile Ser Leu Gly
Ile Ser Val Ala
Ile Thr Gly Val
Ile Thr Val Gly
Ile Val Ala Ser
Ile Val Gly Thr
Ile Val Ser Ala
Ile Val Thr Gly
Leu Ala Ser Val
Leu Ala Val Ser
Leu Gly Ile Ser
Leu Gly Leu Ser
Leu Gly Ser Ile
Leu Gly Ser Leu
Leu Gly Thr Val
Leu Gly Val Thr
Leu Ile Gly Ser
Leu Ile Ser Gly
Leu Leu Gly Ser
Leu Leu Ser Gly
Val Leu Ala Ser
Val Leu Gly Thr
Val Leu Ser Ala
Val Leu Thr Gly
Val Ser Ala Ile
Val Ser Ala Leu
Val Ser Ile Ala
Val Ser Leu Ala
Val Thr Ala Val
Val Thr Gly Ile
Val Thr Gly Leu
Val Thr Ile Gly
Val Thr Leu Gly
Val Thr Val Ala
Val Val Ala Thr
Val Val Thr Ala
1α-hydroxy-25,26,27-trinorvitamin D3 24-carboxylic acid
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
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-[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
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
(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-[(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
Ala-Leu-Val-Ser
A tetrapeptide composed of L-alanine, L-leucine, L-valine, and L-serine joined in sequence by peptide linkages.
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
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
(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
1-methyl 3-{5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-5-yl}methyl propanedioate
13-(1-carboxyethyl)-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid
4-ethoxy-6-methoxy-2-[(8z,11z)-pentadeca-8,11,14-trien-1-yl]benzene-1,3-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
[(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
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"}
