Exact Mass: 412.2474
Exact Mass Matches: 412.2474
Found 500 metabolites which its exact mass value is equals to given mass value 412.2474
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Rhodotoxine
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate
Boviquinone 4
Metabolite of Boletus (Suillus) bovinus. Boviquinone 4 is found in mushrooms. Boviquinone 4 is found in mushrooms. Metabolite of Boletus (Suillus) bovinu
Austalide K
Austalide K is a mycotoxin of the food storage mould (Aspergillus ustus Mycotoxin of the food storage mould (Aspergillus ustus)
Abscisic alcohol 11-glucoside
Abscisic alcohol 11-glucoside is found in fruits. Abscisic alcohol 11-glucoside is a constituent of quince (Cydonia oblonga) fruit. Constituent of quince (Cydonia oblonga) fruit. Abscisic alcohol 11-glucoside is found in fruits.
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one is found in alcoholic beverages. 5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one is a constituent of hops
Trandolapril-d5 Diketopiperazine
Trandolapril-d5 Diketopiperazine is a metabolite of trandolapril. Trandolapril is an ACE inhibitor used to treat high blood pressure, it may also be used to treat other conditions. It is marketed by Abbott Laboratories with the brand name Mavik. (Wikipedia)
(2R,3R)-2-Benzhydryl-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Asebotoxin
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
(E)-8-(3,4-Dimethoxystyryl)-7-methyl-1,3-dipropylxanthine
Lanabecestat
(2S)-5-(Diaminomethylideneamino)-2-[[2-(2,2-diphenylethoxy)acetyl]amino]pentanoic acid
MG(20:3(8Z,11Z,14Z)-2OH(5,6)/0:0/0:0)
MG(20:3(8Z,11Z,14Z)-2OH(5,6)/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(8Z,11Z,14Z)-2OH(5,6)/0:0)
MG(0:0/20:3(8Z,11Z,14Z)-2OH(5,6)/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).
DG(2:0/18:1(12Z)-O(9S,10R)/0:0)
DG(2:0/18:1(12Z)-O(9S,10R)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(2:0/18:1(12Z)-O(9S,10R)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(18:1(12Z)-O(9S,10R)/2:0/0:0)
DG(18:1(12Z)-O(9S,10R)/2:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(18:1(12Z)-O(9S,10R)/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/18:1(12Z)-O(9S,10R))
DG(2:0/0:0/18:1(12Z)-O(9S,10R)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(18:1(12Z)-O(9S,10R)/0:0/2:0)
DG(18:1(12Z)-O(9S,10R)/0:0/2:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(2:0/18:1(9Z)-O(12,13)/0:0)
DG(2:0/18:1(9Z)-O(12,13)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(2:0/18:1(9Z)-O(12,13)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(18:1(9Z)-O(12,13)/2:0/0:0)
DG(18:1(9Z)-O(12,13)/2:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(18:1(9Z)-O(12,13)/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/18:1(9Z)-O(12,13))
DG(2:0/0:0/18:1(9Z)-O(12,13)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(18:1(9Z)-O(12,13)/0:0/2:0)
DG(18:1(9Z)-O(12,13)/0:0/2:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
Sonchuside C
Sonchuside c belongs to eudesmanolides, secoeudesmanolides, and derivatives class of compounds. Those are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Sonchuside c is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Sonchuside c can be found in chicory, which makes sonchuside c a potential biomarker for the consumption of this food product.
methyl galbanate
Origin: Plant, Coumarins, Coumarin terpenoids, Sesquiterpenoids, Ferula terpenoids
5,5-[(6Z)-6-Tetradecene-1,14-diyl]bis(1,3-benzenediol)
5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-10-enyl]benzene-1,3-diol
5-hydroxy-2,8-dimethyl-6-(3-methyl-2-butenyl)-8-(3,7-dimethyl-2,6-octadienyl)-2H-1-benzopyran-4,7(3H,8H)-dione
plakortolide P
An organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata.
(4S,7R)-7-[(1E,3E,5E,7E)-8-[(2S,3R,6S)-3,6-dihydro-3-hydroxy-3,6-dimethyl-2H-pyran-2-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione|wortmannilactone H
3alpha-hydroxy-beta-eudesmol-(alpha-xylopyranoside-2-O-acetate)|3alpha-hydroxy-beta-eudesmol-
(5a,7a,13a,17a)-7-hydroxy-4,4,8-trimethyl-3-oxocarda-1,14-dienolide|6-de(acetyloxy)-7-deacetylchisocheton compound E
7-(2-oxohexyl)-11-hydroxy-6, 12-dioxo-7,9(11),13-abietatriene|7-(2-oxohexyl)-taxodione
5,6-dehydro-alpha-eudesmol-(alpha-xylopyranoside-2-O-acetate)|5,6-dehydro-alpha-eudesmol-
9-hydroxy-3-O-(2-O-acetyl-beta-D-xylopyranosyl)-nerolidol
12,13-dimethoxy-20-methyl-ibogamine-18-carboxylic acid methyl ester|12,13-Dimethoxycoronaridin
15-hydroxy-gamma-eudesmol-(alpha-xylopyranoside-2-O-acetate)|15-hydroxy-gamma-eudesmol-
Angeloyl-(6alpha,12betaH)-14,16-Epoxy-6-hydroxy-17-oxo-7,13(16),14-labdatrien-17,12-olide
3alpha-Tiglinoyloxy-9,11-dehydrostachensaeure-methylester
LysoPC(10:0)
Acquisition and generation of the data is financially supported in part by CREST/JST.
(2Z)-2-[(E)-11-hydroxy-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid
[4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] octanoate
C22H36O7_Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate, (3beta,6beta,14R,16alpha)
5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol
grayanotoxin I
A tetracyclic diterpenoid that is grayanotoxane in which the pro-R hydrogen at position 14 is substituted by an acetoxy group and in which the 3beta-, 5-, 6beta-, 10-, and 16- positions are substituted by hydroxy groups. D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
(S,E)-(2-(4,8-dimethylnona-3,7-dien-1-yl)-8-formyl-5-hydroxy-2-methyl-2H-chromen-7-yl)methyl acetate
(2Z)-2-[(E)-11-hydroxy-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid [IIN-based: Match]
5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol_major
5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-10-enyl]benzene-1,3-diol_major
Ala Ile Ile Pro
Ala Ile Leu Pro
Ala Ile Pro Ile
Ala Ile Pro Leu
Ala Leu Ile Pro
Ala Leu Leu Pro
Ala Leu Pro Ile
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Ala Pro Ile Ile
Ala Pro Ile Leu
Ala Pro Leu Ile
Ala Pro Leu Leu
Ile Ala Ile Pro
Ile Ala Leu Pro
Ile Ala Pro Ile
Ile Ala Pro Leu
Ile Ile Ala Pro
Ile Ile Pro Ala
Ile Leu Ala Pro
Ile Leu Pro Ala
Ile Pro Ala Ile
Ile Pro Ala Leu
Ile Pro Ile Ala
Ile Pro Leu Ala
Ile Pro Pro Ser
Ile Pro Ser Pro
Ile Ser Pro Pro
Leu Ala Ile Pro
Leu Ala Leu Pro
Leu Ala Pro Ile
Leu Ala Pro Leu
Leu Ile Ala Pro
Leu Ile Pro Ala
Leu Leu Ala Pro
Leu Leu Pro Ala
Leu Pro Ala Ile
Leu Pro Ala Leu
Leu Pro Ile Ala
Leu Pro Leu Ala
Leu Pro Pro Ser
Leu Pro Ser Pro
Leu Ser Pro Pro
Pro Ala Ile Ile
Pro Ala Ile Leu
Pro Ala Leu Ile
Pro Ala Leu Leu
Pro Ile Ala Ile
Pro Ile Ala Leu
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Pro Ile Leu Ala
Pro Ile Pro Ser
Pro Ile Ser Pro
Pro Leu Ala Ile
Pro Leu Ala Leu
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(5Z,7E)-(1S,3R)-1-fluoro-9,10-seco-5,7,10(19),16-cholestatetraen-23-yne-3,25-diol
Austalide K
1alpha-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3
Ametantrone
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000970 - Antineoplastic Agents
GBR 12783 dihydrochloride
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D049990 - Membrane Transport Modulators
Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester
Treprostinil sodium
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78568 - Prostaglandin Analogue
butyl prop-2-enoate,ethenyl acetate,ethenyl 8-methylnonanoate
3,5-dimethylmorpholine-4-carboxamidine hemisulfate salt
(BENZO[3,4-D]1,3-DIOXOLAN-5-YLMETHYLENE)METHANE-1,1-DICARBONITRILE
2-DEOXY-ALPHA-D-RIBOSE 1-PHOSPHATE BIS(CYCLOHEXYLAMINE) SALT
(E)-8-(3,4-Dimethoxystyryl)-7-methyl-1,3-dipropylxanthine
2-(Diphenylmethyl)-N-((2-methoxyphenyl)methyl)-1-azabicyclo(2.2.2)octan-3-amine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Plakortolide O
An organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata.
2-Methyl-3-phenyl-5-propyl-7-[4-(2-pyridinyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine
1alpha-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3/1alpha-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol
2,4-Diamino-6-ethyl-5,3-(2-cyclohexylphenoxy)prop-1-yloxypyrimidine
[(2S)-1-acetyloxy-3-hydroxypropan-2-yl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
[(2S)-2-acetyloxy-3-hydroxypropyl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
[(2R)-3-acetyloxy-2-hydroxypropyl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
[(2S)-3-acetyloxy-2-hydroxypropyl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
N-(phenylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-5-pyrazolo[3,4-b]pyridinyl]propanamide
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-pyridin-2-ylacetyl)amino]oxan-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2R)-4-[4-[(8R,9R,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2S)-4-[4-[(8S,9R,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2R)-4-[4-[(8S,9R,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
N,N-dimethyl-3-[4-[(1R,5S)-6-(3-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide
1-[(1S)-1-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-2-(dimethylamino)ethanone
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
(2R)-4-[4-[(8R,9S,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2R)-4-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2S)-4-[4-[(8R,9R,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2S)-4-[4-[(8R,9S,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
N,N-dimethyl-4-[4-[(1R,5S)-6-(2-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide
1-[(1R)-1-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-2-(dimethylamino)ethanone
[(1S,3R,4R,6S,8S,9R,10R,13R,14R,16S)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-6-oxo-7-[(Z)-prop-1-enyl]-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-6-oxo-7-[(Z)-prop-1-enyl]-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
2-[hydroxy-[(2R)-3-hydroxy-2-(9-oxononanoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
2-[(3-Decanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
(2S,3S)-4-Benzyloxy-1-(tert-butyldimethylsilyloxy)-2-methoxyethoxymethoxy-3-methylbutane
[4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] octanoate
(2Z)-2-[(E)-11-hydroxy-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid
2-[(3-Acetyloxy-2-heptanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(2-Acetyloxy-3-octoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
[1-carboxy-3-[3-[(3E,6E,9E)-dodeca-3,6,9-trienoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium
2-[(2-Hexanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(3-Butanoyloxy-2-pentanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(2-hydroxy-3-undecoxypropoxy)phosphoryl]oxyethyl-trimethylazanium
(2r,3r,4s,5r)-4-(acetyloxy)-2-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-5-hydroxyoxan-3-yl (2r)-2-methylbutanoate
4,6,9,14,16-pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-3-yl acetate
3-({5-[2-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-methylpentyl}oxy)-3-oxopropanoic acid
2,5-dihydroxy-3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)cyclohexa-2,5-diene-1,4-dione
4,5-dihydroxy-2-{[2-(7-hydroxy-4a-methyl-8-methylidene-octahydronaphthalen-2-yl)propan-2-yl]oxy}oxan-3-yl acetate
(2e)-3-{2-methyl-3-[(1e)-1-[3,6,8-trimethyl-7-oxo-2-(2-oxopropyl)-5,6,8,8a-tetrahydro-1h-naphthalen-1-yl]prop-1-en-2-yl]oxiran-2-yl}prop-2-enoic acid
(2r,3s,4r,5s)-4,5-dihydroxy-2-{[(3s,6e,9r)-9-hydroxy-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-3-yl acetate
n-[(1s)-2-hydroxy-1-{[(2s)-1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl]-c-hydroxycarbonimidoyl}ethyl]-7-methyloctanimidic acid
3,4a-dimethyl-3-(12-phenyldodeca-9,11-dien-1-yl)-dihydro-4h-furo[3,2-c][1,2]dioxin-6-one
(4as)-7-hydroxy-2,2-dimethyl-4a,8-bis(3-methylbut-2-en-1-yl)-6-(3-methylbutanoyl)chromen-5-one
(1s,2r,5s,6r,7s,9r)-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-en-1-yl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl acetate
5-[14-(3,5-dihydroxyphenyl)tetradec-6-en-1-yl]benzene-1,3-diol
methyl 5-{10-[6-(methoxycarbonyl)pyridin-3-yl]decyl}pyridine-2-carboxylate
(5-hydroxy-7-isopropyl-1,4a-dimethyl-6,10-dioxo-2,3,4,10a-tetrahydrophenanthren-1-yl)methyl 3-methylbut-2-enoate
5,5,10,13,15-pentamethyl-6,19-dioxahexacyclo[13.6.1.0¹,¹¹.0⁴,¹⁰.0¹³,²¹.0¹⁷,²¹]docos-8-ene-7,14,18-trione
2-methoxy-3,5-dimethyl-6-{1,3,5-trimethyl-2-[(2e)-4-methyl-5-oxohept-2-en-2-yl]-4-oxocyclohexa-2,5-dien-1-yl}pyran-4-one
(4r,5r,6r,8r,9s)-9-(acetyloxy)-4,6,8-trimethyl-3,7-dioxoundecan-5-yl (2s)-2-methyl-3-oxopentanoate
(1s,4ar,5r,8ar)-5-{2-[(2r,3r,4s,5r)-3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl]ethyl}-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
16,20-dihydroxy-4,8,8,12-tetramethyl-13-oxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(14),15,17(22)-triene-7,18-dione
(2e,4e)-5-[(1s,2r,4r,5as,7ar,11ar,11bs)-4-[(2r)-butan-2-yl]-1-hydroxy-6,9-dimethyl-5-methylidene-1h,2h,4h,5ah,7ah,8h,11h,11ah,11bh-naphtho[1,2-d]oxepin-2-yl]penta-2,4-dienoic acid
(3s,4s,9r,12s,20r)-16,20-dihydroxy-4,8,8,12-tetramethyl-13-oxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(14),15,17(22)-triene-7,18-dione
5-[(4z)-14-(3,5-dihydroxyphenyl)tetradec-4-en-1-yl]benzene-1,3-diol
3-{[(3s)-5-[(1s,2s,4as,5s,8ar)-2-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-methylpentyl]oxy}-3-oxopropanoic acid
3',3a,3b,6,6,9a-hexamethyl-2,3,4,5,5a,8,9,9b-octahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7,10-trione
(1r,2r,5s,6r,10r,11s,12r,15r,19s)-6-(furan-3-yl)-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-ene-11,18-diol
(1r,4ar,8r,8ar)-8-(benzoyloxy)-1,4a-dimethyl-6-methylidene-5-(3-oxobutyl)-hexahydro-2h-naphthalene-1-carboxylic acid
3β-formyloxyresibufogenin
{"Ingredient_id": "HBIN008214","Ingredient_name": "3\u03b2-formyloxyresibufogenin","Alias": "NA","Ingredient_formula": "C25H32O5","Ingredient_Smile": "CC12CCC(CC1CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)OC=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7911","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy-2,6-dimethyl-6-(3,7-dimethyl-2,6-octadienyl)-8-(3-methyl-2-butenyl)-2h-1-ben-zopyran-5,7(3h,6h)-dione
{"Ingredient_id": "HBIN010447","Ingredient_name": "4-hydroxy-2,6-dimethyl-6-(3,7-dimethyl-2,6-octadienyl)-8-(3-methyl-2-butenyl)-2h-1-ben-zopyran-5,7(3h,6h)-dione","Alias": "4-hydroxy-2,6-dimethyl-6-(3,7-dimethyl-2,6-octadienyl)-8-(3-methyl-2-butenyl)-2h-1-benzopyran-5,7(3h,6h)-dione","Ingredient_formula": "C26H36O4","Ingredient_Smile": "CC1CC(=O)C2=C(O1)C(=C(C(C2=O)(C)CC=C(C)CCC=C(C)C)O)CC=C(C)C","Ingredient_weight": "412.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT19249","TCMID_id": "10048;31184","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5318203","DrugBank_id": "NA"}
5-hydroxy-2,8-dimethyl-6-(3-methyl-2-butenyl)-8-(3,7-dimethyl-2,6-octadienyl)-2h-1-benzo-pyran-4,7(3h,8h)-dione
{"Ingredient_id": "HBIN011589","Ingredient_name": "5-hydroxy-2,8-dimethyl-6-(3-methyl-2-butenyl)-8-(3,7-dimethyl-2,6-octadienyl)-2h-1-benzo-pyran-4,7(3h,8h)-dione","Alias": "NA","Ingredient_formula": "C26H36O4","Ingredient_Smile": "CC1CC(=O)C2=C(O1)C(C(=O)C(=C2O)CC=C(C)C)(C)CC=C(C)CCC=C(C)C","Ingredient_weight": "412.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10050","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5318204","DrugBank_id": "NA"}