Exact Mass: 396.2543
Exact Mass Matches: 396.2543
Found 500 metabolites which its exact mass value is equals to given mass value 396.2543
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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.
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
Isopetasoside
Isopetasoside is found in green vegetables. Isopetasoside is a constituent of Petasites japonicus (sweet coltsfoot)
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
(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).
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-
1-[4-(beta-D-glucopyranosyloxy)-2,6-dmethylbicyclo[3.1.1]hept-2-en-6-yl]-4-methylpent-3-en-2-one|9-oxo-alpha-bergamoten-1-yl beta-D-glucopyranoside|curvifloruside D
4-[(2E)-7-Hydroxy-3,7-dimethyloct-2-enyl]-2,3,4,5-tetrahydroxy-trans-stilbene
3-carboxy-2-(2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-ylmethoxy)-pentanedioic acid|isocryptoporic acid H
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-
2,3-dihydro-7-methoxy-2S*,3R*-dimethyl-3-[4,8-dimethyl-3(E),7-nonadienyl]-furo[3,2-c]coumarin
11-hydroxy-5,14-diacetoxy-9,10-dehydrofarnesol acetate
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
3??,6??,8??-Triacetoxy-4??,5??-epoxygermacr-1(10)E-ene
nerolidol-(2-O-acetyl-beta-D-xylopyranoside)|nerolidol-<2-O-acetyl-beta-D-xylopyranoside>
(1beta,3beta,4alpha,5alpha,6alpha,8alpha)-guai-10(14)-ene-3,4,6,8-tetrol 3,6,8-triacetate|(1RS,2RS,3aRS,6RS,7SR,8RS,8aRS)-decahydro-1-methyl-4-methylene-7-(1-methylethyl)azulene-1,2,6,8-tetrol 2,6,8-triacetate
(4R,1E,3E)-4-(5-hydroxy-3-methyl-1,3-pentadienyl)-3,5,5-trimethyl-2-cyclohexen-1-one beta-D-glucopyranoside
3,3a,7,7a-tetrahydro-3a,6,7a-trihydroxy-2-(1-hydroxy-1-methylethyl)-7-methyl-7-(3-methylbut-2-enyl)-5-(2-methylpropanoyl)benzofuran-4(2H)-one|furonewguinone B
12-acetoxy-14-(3-hydroxyisovaleryloxy)-nerolidol|12-acetoxy-14-<3-hydroxyisovaleryloxy>-nerolidol
6-Angeloyl,Me ester-(1beta,4alpha,6alpha,8alpha)-1,4,6,8-Tetrahydroxy-11(13)-eudesmen-12-oic acid
(20S)-6beta,7beta,11beta,14beta,15beta-pentahydroxy-20-methoxy-7alpha,20-epoxy-ent-kaur-16-ene|isoadenolin E
4S,5R-12-O-beta-D-glucopyranosyleremophil-7(11)(Z),9-dien-8-one
ent-abierubesin E|methyl (16R*)-1alpha,6beta,7,17-tetrahydroxy-7alpha,20-epoxy-ent-abiet-8(14)-en-15-oate
5-[6-[(E)-2-(1H-indol-5-yl)ethenyl]-6-(methoxymethyl)-3-methylcyclohex-2-en-1-yl]-1H-indole|caulindole G
16(R)-1alpha,6beta,7beta,14beta-tetrahydroxy-17-methoxy-7alpha,20-epoxy-ent-kaur-15-one|dayecrystal B
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.
6beta,7beta,11beta,14beta-tetrahydroxy-16beta-methoxymethyl-7alpha,20-epoxy-ent-kaur-15-one|parvifoline S
19-acetoxy-15-hydroperoxy-12-oxo-13,14E-dehydro-10,11,14,15-tetrahydrogeranylnerol
10-hydroxy-5,14-diacetoxy-11,12-dehydrofarnesol acetate
(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid
C21H32O7_2,4-Dihydroxy-5-methoxy-2a,5a,7-trimethyldodecahydrodispiro[furan-3,2-furan-5,6-naphtho[1,8-bc]furan]-2(2aH)-one
2,4-dihydroxy-5-methoxy-1,6,8-trimethyldispiro[bis(oxolane)-3,2:5,7-[3]oxatricyclo[6.3.1.0⁴,¹²]dodecane]-2-one
(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]
2,4-dihydroxy-5-methoxy-1,6,8-trimethyldispiro[bis(oxolane)-3,2:5,7-[3]oxatricyclo[6.3.1.0⁴,¹²]dodecane]-2-one_major
2,4-dihydroxy-5-methoxy-1,6,8-trimethyldispiro[bis(oxolane)-3,2:5,7-[3]oxatricyclo[6.3.1.0?,¹²]dodecane]-2-one
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
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
Isopetasoside
13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4
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
Etonitazene
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
butan-2-one O-[[[[1,3,3-trimethyl-5-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxime
(Z)-3-ETHOXY-6-(3,4,5-TRIMETHOXYSTYRYL)BENZENE-1,2-DIOL
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
(2S,3S,4R)-2-ammonio-3,4-dihydroxyoctadecyl phosphate
(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
[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-[5-(3-methyl-5-pentylfuran-2-yl)pentanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[7-(3-methyl-5-propylfuran-2-yl)heptanoyloxy]propyl]-trimethylazanium
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
(3S,4aR,5S)-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
A natural product found in Pittocaulon velatum.
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
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
[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
(1r,2r,6s,7s,8s)-1,5-dimethyl-8-(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)tricyclo[4.4.0.0²,⁷]dec-4-en-3-one
1-[(1s,4s,5s,6s)-2,6-dimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[3.1.1]hept-2-en-6-yl]-4-methylpent-3-en-2-one
(1s,2s,3s,5s,6s,8s,9s,10s,11r,15s)-3,9,10,15-tetrahydroxy-6-(methoxymethyl)-12,12-dimethyl-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-7-one
(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
[(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
3a,6,7a-trihydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-7-(3-methylbut-2-en-1-yl)-5-(2-methylpropanoyl)-2,3-dihydro-1-benzofuran-4-one
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,2s,3as,6s,7r,8s,8as)-6,8-bis(acetyloxy)-1-hydroxy-7-isopropyl-1-methyl-4-methylidene-octahydroazulen-2-yl acetate
(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
4-hydroxy-6-[(2s,4r,5r,6s,7e,9s,10r,11e)-2,4,6,10-tetrahydroxy-5,9,11-trimethyltrideca-7,11-dien-1-yl]pyran-2-one
(1r,2s,5s,7r,8r,9s,10s,11r,15s,16r,18r)-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,15,18-pentol
(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
(2r,5s,9r,10s)-6,10-dimethyl-2-(prop-1-en-2-yl)-9-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}spiro[4.5]dec-6-en-8-one
(4s,6s,7r,8r,10s,13r,17r)-17-ethyl-8,16-dihydroxy-10-(hydroxymethyl)-4,6-dimethyl-14,18-dioxatricyclo[11.2.2.1⁴,⁷]octadec-1(16)-ene-11,15-dione
(1r,2s)-1-{[(1s,4as,8ar)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}propane-1,2,3-tricarboxylic acid
[(1r,3s,4r,7s,10s)-4,10-dihydroxy-5-[(6s)-6-hydroxyhept-1-en-1-yl]-9,9-dimethyl-2,8-dioxatricyclo[5.4.0.0¹,³]undec-5-en-6-yl]methyl 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
(2s,3as,7s,7as)-3a,6,7a-trihydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-7-(3-methylbut-2-en-1-yl)-5-(2-methylpropanoyl)-2,3-dihydro-1-benzofuran-4-one
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
(1r,2s)-1-{[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propane-1,2,3-tricarboxylic acid
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"}
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"}