Exact Mass: 396.2664
Exact Mass Matches: 396.2664
Found 485 metabolites which its exact mass value is equals to given mass value 396.2664,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
delta-Tocotrienol
delta-Tocotrienol, also known as 8-methyltocotrienol, belongs to the class of organic compounds known as tocotrienols. These are vitamin E derivatives containing an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain attached to the carbon C6 atom of a benzopyran ring system. They differ from tocopherols that contain a saturated trimethyltridecyl chain. Thus, delta-tocotrienol is considered to be a quinone lipid molecule. delta-Tocotrienol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. delta-Tocotrienol is found in American cranberry and palm oil. It is a nutriceutical with anticancer properties and a positive influence on the blood lipid profile. Constituent of palm oil. Nutriceutical with anticancer props. and a positive influence on the blood lipid profile. d-Tocotrienol is found in many foods, some of which are fennel, caraway, coconut, and lichee. Acquisition and generation of the data is financially supported in part by CREST/JST.
Estradiol Cypionate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents Same as: D04063 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Melengestrol acetate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone Same as: D04900 CONFIDENCE standard compound; INTERNAL_ID 343; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9713; ORIGINAL_PRECURSOR_SCAN_NO 9708 DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; CONFIDENCE standard compound; INTERNAL_ID 343; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; ORIGINAL_ACQUISITION_NO 9713; ORIGINAL_PRECURSOR_SCAN_NO 9708 CONFIDENCE standard compound; INTERNAL_ID 343; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9743; ORIGINAL_PRECURSOR_SCAN_NO 9739 CONFIDENCE standard compound; INTERNAL_ID 343; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9761; ORIGINAL_PRECURSOR_SCAN_NO 9757 CONFIDENCE standard compound; INTERNAL_ID 343; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9788; ORIGINAL_PRECURSOR_SCAN_NO 9784 CONFIDENCE standard compound; INTERNAL_ID 343; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9754; ORIGINAL_PRECURSOR_SCAN_NO 9750 CONFIDENCE standard compound; INTERNAL_ID 343; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9789; ORIGINAL_PRECURSOR_SCAN_NO 9786
(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoate
(9s,10s)-10-hydroxy-9-(phosphonooxy)octadecanoate is part of the Arachidonic acid metabolism, and Peroxisome pathways. It is a substrate for: Bifunctional epoxide hydrolase 2.
delta3,5-Deoxytigogenin
delta3,5-Deoxytigogenin is found in fenugreek. delta3,5-Deoxytigogenin is isolated from Balanites aegyptiaca (soapberry tree fruits). Isolated from Balanites aegyptiaca (soapberry tree fruits). delta3,5-Deoxytigogenin is found in fruits and fenugreek.
1-hexadecyl-glycero-3-phosphate
1-hexadecyl-glycero-3-phosphate is also known as PA(O-16:0/0:0). 1-hexadecyl-glycero-3-phosphate is considered to be practically insoluble (in water) and acidic. 1-hexadecyl-glycero-3-phosphate is a glycerophosphate lipid molecule
alpha-Micropteroxanthin B
alpha-Micropteroxanthin A is found in fishes. alpha-Micropteroxanthin A is isolated from integuments of black bass, Micropterus salmoides. Isolated from integuments of black bass, Micropterus salmoides. alpha-Micropteroxanthin B is found in fishes.
beta-Micropteroxanthin
beta-Micropteroxanthin is found in fishes. beta-Micropteroxanthin is isolated from integuments of black bass Micropterus salmoides. Isolated from integuments of black bass Micropterus salmoides. beta-Micropteroxanthin is found in fishes.
9,12-Hexadecadienoylcarnitine
9,12-Hexadecadienoylcarnitine is an acylcarnitine. More specifically, it is an 9,12-hexadecadienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 9,12-Hexadecadienoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine 9,12-hexadecadienoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
delta3,5-Deoxyneotigogenin
delta3,5-Deoxyneotigogenin is found in fenugreek. delta3,5-Deoxyneotigogenin is isolated from Trigonella foenum-graecum (fenugreek Isolated from Trigonella foenum-graecum (fenugreek). delta3,5-Deoxyneotigogenin is found in herbs and spices and fenugreek.
1-pentadecanoyl-glycero-3-phosphate
1-pentadecanoyl-glycero-3-phosphate is classified as a member of the 1-acylglycerol-3-phosphates. 1-acylglycerol-3-phosphates are lysophosphatidic acids where the glycerol is esterified with a fatty acid at O-1 position. 1-pentadecanoyl-glycero-3-phosphate is a glycerophosphate lipid molecule
N-Oleoyl Asparagine
N-oleoyl asparagine belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is an Oleic acid amide of Asparagine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Oleoyl Asparagine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Oleoyl Asparagine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
(2R)-2,8-Dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol
(2E,4E,6E,8E)-3,7-Dimethyl-9-(2-nonoxyphenyl)nona-2,4,6,8-tetraenoic acid
4-Benzofuranacetamide, N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D020011 - Protective Agents
estradiol cypionate
Melengestrol acetate
[(8R,9S,13S,14S,17S)-17-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
1-[(trans-4-Aminocyclohexyl)methyl]-N-Butyl-3-(4-Fluorophenyl)-1h-Pyrazolo[3,4-D]pyrimidin-6-Amine
MG(20:3(6,8,11)-OH(5)/0:0/0:0)
MG(20:3(6,8,11)-OH(5)/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(0:0/20:3(6,8,11)-OH(5)/0:0)
MG(0:0/20:3(6,8,11)-OH(5)/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).
Spirosta-3,5-diene
Spirosta-3,5-diene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Spirosta-3,5-diene can be found in fenugreek, which makes spirosta-3,5-diene a potential biomarker for the consumption of this food product.
ent-13R,15-Dihydroxy-14S-acetoxy-1(10)-halimen-18-oic acid
3-[8-[(Acetyloxy)methyl]-13-hydroxy-4-(hydroxymethyl)-12-methyl-11-tridecenyl]-2(5H)-furanone
12,20-Dihydroxy-19-acetoxy-14-methylenegeranylnerol
(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid
2,8-Dihydroxy-5-methyl-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-4H-1-benzopyran-4-one|5-methyl-2,8-dihydroxy-3-farnesylchromone
alpha-eudesmol-(alpha-xylopyranoside-2-O-acetate)|alpha-eudesmol-
4-[(2E)-7-Hydroxy-3,7-dimethyloct-2-enyl]-2,3,4,5-tetrahydroxy-trans-stilbene
2,3-Dihydro-7-methoxy-2R*,3R*-dimethyl-2-[4,8-dimethyl-3(E),7-nonadienyl]-furo[3,2-c]coumarin
(4aS*,6R*,6aS*,7aR*,8R*,10S*,11R*,11aR*,12aR*,12bS*)-4,4,6a,12b-tetramethyl-9-methylene-hexadecahydro-1H-benzo[a]xanthene-6,8,10,11,11a-pentaol|coniothyrenol
beta-eudesmol-(alpha-xylopyranoside-2-O-acetate)|beta-eudesmol-
22E-form-25,26,27-Trinor-3-oxocycloart-22-en-24-al
2,3-dihydro-7-methoxy-2S*,3R*-dimethyl-3-[4,8-dimethyl-3(E),7-nonadienyl]-furo[3,2-c]coumarin
24,25,26,27-tetranortirucall-1,7-diene-23(21)-lactone
4,5-trans-4-acetoxy-5-hydroxy-5-(1-acetoxytridecyl)-2-cyclopenten-1-one|4,6-di-O-acetyl hygrophorone A12|4,6-di-O-acetylhygrophoron A12
nerolidol-(2-O-acetyl-beta-D-xylopyranoside)|nerolidol-<2-O-acetyl-beta-D-xylopyranoside>
12-acetoxy-14-(3-hydroxyisovaleryloxy)-nerolidol|12-acetoxy-14-<3-hydroxyisovaleryloxy>-nerolidol
5-[6-[(E)-2-(1H-indol-5-yl)ethenyl]-6-(methoxymethyl)-3-methylcyclohex-2-en-1-yl]-1H-indole|caulindole G
gamma-eudesmol-(alpha-xylopyranoside-2-O-acetate)|gamma-eudesmol-
plakortone P
An organic heterobicyclic compound consisting of a gamma-lactone ring fused onto a substituted tetrahydrofuran ring. It is isolated from the Australian marine sponge Plakinastrella clathrata.
19-acetoxy-15-hydroperoxy-12-oxo-13,14E-dehydro-10,11,14,15-tetrahydrogeranylnerol
(20S,22E)-cholesta-1,22-dien-18,20-oxido-3-one|ximaosteroid A
δ-Tocotrienol
A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2 and 8 and a farnesyl chain at position 2.
(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid
(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid [IIN-based on: CCMSLIB00000847318]
(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid [IIN-based: Match]
Ala Ile Pro Pro
Ala Leu Pro Pro
Ala Pro Ile Pro
Ala Pro Leu Pro
Ala Pro Pro Ile
Ala Pro Pro Leu
Ile Ala Pro Pro
Ile Pro Ala Pro
Ile Pro Pro Ala
Leu Ala Pro Pro
Leu Pro Ala Pro
Leu Pro Pro Ala
Pro Ala Ile Pro
Pro Ala Leu Pro
Pro Ala Pro Ile
Pro Ala Pro Leu
Pro Ile Ala Pro
Pro Ile Pro Ala
Pro Leu Ala Pro
Pro Leu Pro Ala
Pro Pro Ala Ile
Pro Pro Ala Leu
Pro Pro Ile Ala
Pro Pro Leu Ala
25-hydroxy-16,17,23,24-tetradehydrovitamin D3 / 25-hydroxy-16,17,23,24-tetradehydrocholecalciferol
(5Z,7E,23Z)-(3S)-9,10-seco-5,7,10(19),16,23-cholestapentaene-3,25-diol
(5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-23-yne-3,25-diol
16,16-dimethyl-6-keto Prostaglandin E1
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol
DIOSGENIN,DEHYDRO
D3,5-Deoxyneotigogenin
a-Micropteroxanthin b
b-Micropteroxanthin
13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4
25-hydroxy-16,17,23,24-tetradehydrovitamin D3
25-hydroxy-23,23,24,24-tetradehydrovitamin D3
benzyl[2-(dodecylamino)-2-oxoethyl]dimethylammonium chloride
Dinaciclib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethanol
1,2-difluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
butan-2-one O-[[[[1,3,3-trimethyl-5-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxime
Benzenamine,N,N-(1,4-phenylenedimethylidyne)bis[4-butyl-
2-(3-(9,9-dimethyl-9H-fluoren-2-yl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1H-Pyrazole-4-carboxamide,N-[2-(cyclohexylamino)-2-oxoethyl]-1-(1-methylethyl)-N-[(4-methylphenyl)methyl]-(9CI)
Nandrolone furylpropionate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3-[(E)-[(3aR,4S,5S,6aR)-4-[(E,3R)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]methyl]benzoic acid
N~1~,N~1~,N~4~,N~4~-Tetrakis(trimethylsilyl)benzene-1,4-diamine
(23Z)-25-hydroxy-16,17,23,24-tetradehydrovitamin D3/(23Z)-25-hydroxy-16,17,23,24-tetradehydrocholecalciferol
(2S,3S,4R)-2-ammonio-3,4-dihydroxyoctadecyl phosphate
2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol
[(2R)-3-carboxy-2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
(2E,4E,6E,8E)-3,7-Dimethyl-9-(2-nonoxyphenyl)nona-2,4,6,8-tetraenoic acid
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
[(2S)-2,3-dihydroxypropyl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate
1,3-dihydroxypropan-2-yl (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate
(4S,6R,7S,8R,9S,13R)-5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-diene-6,2-oxane]
[3-carboxy-2-[(7Z,10Z)-hexadeca-7,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,8E,11E)-13-carboxytrideca-5,8,11-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(8E,10E,12E)-13-carboxytrideca-8,10,12-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,7E,9E)-13-carboxytrideca-5,7,9-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E,10E)-13-carboxytrideca-2,4,10-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(7E,9E,11E)-13-carboxytrideca-7,9,11-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,8E,10E)-13-carboxytrideca-6,8,10-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,7E,10E)-13-carboxytrideca-4,7,10-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,9E,12E)-13-carboxytrideca-6,9,12-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,9E)-hexadeca-3,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,9E)-hexadeca-6,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E)-hexadeca-2,4-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(10E,12E)-hexadeca-10,12-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(8E,10E)-hexadeca-8,10-dienoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-[5-(3-methyl-5-pentylfuran-2-yl)pentanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[7-(3-methyl-5-propylfuran-2-yl)heptanoyloxy]propyl]-trimethylazanium
4-amino-2-[[(E)-octadec-9-enoyl]amino]-4-oxobutanoic acid
Enadoline
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D020011 - Protective Agents
13,14-dihydro-15-keto prostaglandin f2alpha isopropyl ester
N-[3-[butyl(ethyl)amino]propyl]-1,5-dimethyl-4-oxo-2-pyrrolo[3,2-c]quinolinecarboxamide
3-cyclopentylpropanoic acid [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
1-[3-[2-(Diethylamino)ethyl]-2-imino-1-benzimidazolyl]-3-(3-methylphenoxy)-2-propanol
2-(dimethylamino)-N-[(2R,3R,6S)-6-[2-[[(4-fluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]acetamide
2-fluoro-N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylbenzamide
N-[[(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-(cyclopropylmethyl)-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-ethylacetamide
1-[(2S,3R,4S)-2-[(cyclobutylmethylamino)methyl]-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-azetidinyl]-1-propanone
cyclobutyl-[(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-2-(hydroxymethyl)-4-(propylaminomethyl)-1-azetidinyl]methanone
1-[(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-2-(hydroxymethyl)-4-[(propan-2-ylamino)methyl]-1-azetidinyl]-2-cyclopropylethanone
(10S,11R)-10-[(dimethylamino)methyl]-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
(10R,11S)-10-[(dimethylamino)methyl]-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
(10S,11R)-10-[(dimethylamino)methyl]-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide
(10R,11S)-10-[(dimethylamino)methyl]-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
2-(dimethylamino)-N-[(2R,3S,6R)-6-[2-[[(4-fluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]acetamide
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide
(1R,5S)-6-[(3-methoxyphenyl)methyl]-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
2-(dimethylamino)-N-[(2S,3R,6S)-6-[2-[[(4-fluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]acetamide
2-(dimethylamino)-N-[(2S,3S,6R)-6-[2-[[(4-fluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]acetamide
2-fluoro-N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylbenzamide
N-[[(2R,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-(cyclopropylmethyl)-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-ethylacetamide
N-[[(2R,3R,4S)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-2-cyclopropyl-N-methylacetamide
N-[[(2R,3S,4S)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-2-cyclopropyl-N-methylacetamide
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide
N-[[(2S,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-1-(cyclopropylmethyl)-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-propan-2-ylacetamide
(1R,5S)-6-[(2-methoxyphenyl)methyl]-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
(9S,10R)-10-hydroxy-9-(phosphonooxy)octadecanoic acid
[(1S)-3-carboxy-1-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
2-[[(2R)-3-dec-9-enoxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
(1-acetyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate
(E,2R,4R)-2-[(2S,3S,4S,5R,6R)-2,4-dihydroxy-3,5-dimethyl-6-[(2R)-3-oxopentan-2-yl]oxan-2-yl]-4,6-dimethylnon-6-en-3-one
[3-Hydroxy-2-(propanoylamino)nonyl] 2-(trimethylazaniumyl)ethyl phosphate
(2-Acetamido-3-hydroxydecyl) 2-(trimethylazaniumyl)ethyl phosphate
[3-carboxy-2-[(4E,7Z)-hexadeca-4,7-dienoyl]oxypropyl]-trimethylazanium
[2-(Butanoylamino)-3-hydroxyoctyl] 2-(trimethylazaniumyl)ethyl phosphate
(1-hydroxy-3-propanoyloxypropan-2-yl) (9Z,12Z)-heptadeca-9,12-dienoate
(1-butanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-hexadeca-9,12-dienoate
phytosphingosine 1-phosphate(1-)
An anionic phospholipid obtained by deprotonation of the phosphate OH groups and protonation of the amino group of phytosphingosine 1-phosphate; major species at pH 7.3.
1-hexadecyl-sn-glycerol 3-phosphate
A 1-alkyl-sn-glycerol 3-phosphate in which the 1-alkyl group is specified as hexadecyl.
(4r)-4-(acetyloxy)-5-hydroxy-5-tridecanoylcyclopent-2-en-1-yl acetate
10,14-dihydroxy-3-isopropyl-6,10,14-trimethyl-8-oxo-15-oxatricyclo[9.3.1.0²,⁷]pentadecan-6-yl acetate
4-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}oxolan-2-one
[(1s,2s,5r,6r,7r,8r,10r,12r,13r)-5,8,13-trihydroxy-6-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0¹,¹⁰.0²,⁷]hexadecan-13-yl]methyl acetate
(2e,4z,6e)-7-[(1r,6r,8s,8as)-3,6,8-trimethyl-7-oxo-2-(2-oxopropyl)-5,6,8,8a-tetrahydro-1h-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid
(1s,2s,3s,4r,4as,8as)-4-[(2r)-2-hydroperoxy-3-methylidenepent-4-en-1-yl]-1,3-dihydroxy-3,4a,8,8-tetramethyl-hexahydro-1h-naphthalen-2-yl acetate
(2e,4e,6e)-7-[(1s,2s,4ar,8ar)-2-[(2r,3r)-3-[(2r)-butan-2-yl]-2-methyloxiran-2-yl]-3,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalen-1-yl]hepta-2,4,6-trienoic acid
(1r,2r,5r,7r,10s,14s,16s)-5,14-diethyl-2,11-dimethyl-4,13,19,20-tetraoxatricyclo[14.2.1.1⁷,¹⁰]icosane-3,12-dione
5-[(1e,6e,8e,10e)-13-(furan-3-yl)-2,6,10-trimethyltrideca-1,6,8,10-tetraen-1-yl]-4-hydroxy-3-methyl-5h-furan-2-one
(1r,3as,3bs,9ar,9bs,11ar)-9a,11a-dimethyl-1-[(2r)-6-methylhept-5-en-2-yl]-1h,2h,3h,3ah,3bh,4h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-dione
[(1s,2s,5r,6r,7r,10s,12r,13r,16s)-5,13,16-trihydroxy-6-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0¹,¹⁰.0²,⁷]hexadecan-13-yl]methyl acetate
9-[2-(but-2-en-2-yl)-5-hydroxy-1,3,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]nona-2,4,6,8-tetraenoic acid
(1s,4r,13r,14s)-13-hydroxy-4-[(1e,4e)-6-methylhepta-1,4,6-trien-1-yl]-2,9,10,12-tetramethylidene-5,15-dioxabicyclo[12.1.0]pentadecan-6-one
(1s,2r,6r,7r,8r,9r,12s,13r,14s)-12,13,14-trihydroxy-6-isopropyl-9,13-dimethyl-3-methylidene-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-9-yl acetate
(2z,6s)-2-[(3e)-5-(acetyloxy)-4-methylpent-3-en-1-yl]-6-hydroxy-6-methylocta-2,7-dien-1-yl 3-hydroxy-3-methylbutanoate
10-hydroxy-1,4a,6a,12b-tetramethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthene-1-carbaldehyde
(1r,2s,4as,5s,5's,6r,8as)-6-hydroxy-5'-(2-hydroxyethyl)-2,5,5',8a-tetramethyl-3-oxo-hexahydrospiro[naphthalene-1,2'-oxolan]-5-ylmethyl acetate
(2s,3r,4s,5r)-2-({2-[(2r,4ar,8as)-4a-methyl-8-methylidene-octahydronaphthalen-2-yl]propan-2-yl}oxy)-4,5-dihydroxyoxan-3-yl acetate
5,6a-dimethyl-5-(12-phenyldodeca-9,11-dien-1-yl)-dihydro-3h-furo[3,2-b]furan-2-one
1-{4,15-dimethoxy-2,12-diazahexacyclo[14.3.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²²]docosa-3(8),4,6-trien-2-yl}ethanone
4-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)methoxy]-5-methylchromen-2-one
(4s)-2-{[(1s,5s)-2-[(2r,5s)-5,6-dihydroxy-6-methylheptan-2-yl]-5-hydroxy-5-methylcyclopent-2-en-1-yl]methyl}-3-hydroxy-4-methoxycyclohex-2-en-1-one
2,3-dihydro-7-methoxy-2r*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[3,2-c]coumarin
{"Ingredient_id": "HBIN004012","Ingredient_name": "2,3-dihydro-7-methoxy-2r*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[3,2-c]coumarin","Alias": "NA","Ingredient_formula": "C25H32O4","Ingredient_Smile": "CC1C2=C(C3=C(C=C(C=C3)OC)OC2=O)OC1(C)CCC=C(C)CCC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5666","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-dihydro-7-methoxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[3,2-c]coumarin
{"Ingredient_id": "HBIN004014","Ingredient_name": "2,3-dihydro-7-methoxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[3,2-c]coumarin","Alias": "NA","Ingredient_formula": "C25H32O4","Ingredient_Smile": "CC1C2=C(C3=C(C=C(C=C3)OC)OC2=O)OC1(C)CCC=C(C)CCC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5667","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
25α-spirosta-3,5-diene
{"Ingredient_id": "HBIN004598","Ingredient_name": "25\u03b1-spirosta-3,5-diene","Alias": "NA","Ingredient_formula": "C27H40O2","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC=C6)C)C)C)OC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "20191","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
25β-spirosta-3,5-diene
{"Ingredient_id": "HBIN004603","Ingredient_name": "25\u03b2-spirosta-3,5-diene","Alias": "NA","Ingredient_formula": "C27H40O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "20192","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
artemisolide
{"Ingredient_id": "HBIN016966","Ingredient_name": "artemisolide","Alias": "NA","Ingredient_formula": "C25H32O4","Ingredient_Smile": "CC(C)C12CC1C3(CC45C=CC3(C4C6C(CCC5(C)O)C(=C)C(=O)O6)C)C(=O)C2","Ingredient_weight": "396.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1802","TCMSP_id": "NA","TCM_ID_id": "10123;10124;16362;16363","PubChem_id": "102246304","DrugBank_id": "NA"}
