Exact Mass: 396.2202
Exact Mass Matches: 396.2202
Found 500 metabolites which its exact mass value is equals to given mass value 396.2202
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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
Zwittermicin A
The (+)-enantiomer of zwittermicin A. It is a water-soluble natural antibiotic from the fermentation of the soil-borne bacterium Bacillus cereus and shows significant activity against phytopathogenic fungi.
(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.
3beta-Hydroxypregn-5-en-20-one sulfate
3beta-Hydroxypregn-5-en-20-one sulfate is a metabolite of pregnenolone. Pregnenolone, also known as 3α,5β-tetrahydroprogesterone (3α,5β-THP), is an endogenous steroid hormone involved in the steroidogenesis of progestogens, mineralocorticoids, glucocorticoids, androgens, and estrogens, as well as the neuroactive steroids. As such it is a prohormone, though it also has biological effects of its own, behaving namely as a neuroactive steroid in its own right with potent anxiolytic effects. (Wikipedia) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3]. Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3].
Pregnenolone sulfate
Pregnenolone sulfate is a sulfated version of the steroid hormone known as pregnenolone. Pregnenolone sulfate belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. Pregnenolone sulfate is a neurosteroid found in the brain and central nervous system. Pregnenolone sulfate is a metabolite synthesized from pregnenolone via sulfation. It is known to have cognitive and memory-enhancing, antidepressant, anxiogenic, and proconvulsant effects (PMID: 21094889). As a neurosteroid, pregnenolone sulfate modulates a variety of ion channels, transporters, and enzymes. Interestingly, as a sulfated steroid, pregnenolone sulfate is not the final- or waste-product of pregnenolone being sulfated via a phase II metabolism reaction and renally excreted, as one would presume from pharmacology textbook knowledge. Pregnenolone sulfate is also the source and thereby the starting point for subsequent steroid synthesis pathways. Recently, pregnenolone sulfate has been shown to not only be a modulator of ion channels, but it is also an activating ion channel ligand (PMID: 24084011). Pregnenolone sulfate, a neurosteroid, is a metabolite of Pregnenolone. It is found in the brain and central nervous system. [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3]. Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3].
Isopetasoside
Isopetasoside is found in green vegetables. Isopetasoside is a constituent of Petasites japonicus (sweet coltsfoot)
1-Hexanol arabinosylglucoside
1-Hexanol arabinosylglucoside is found in pomes. 1-Hexanol arabinosylglucoside is a constituent of apples (Malus sylvestris) Constituent of apples (Malus sylvestris). 1-Hexanol arabinosylglucoside is found in malus (crab apple) and pomes.
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
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
Melengestrol acetate
Dextran-70
1-[(trans-4-Aminocyclohexyl)methyl]-N-Butyl-3-(4-Fluorophenyl)-1h-Pyrazolo[3,4-D]pyrimidin-6-Amine
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
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
N-((-)-jasmonoyl)-S-tryptophan|N-<(-)-jasmonoyl>-S-tryptophan|N-Jasmonoyltryptophan
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
coryn-16-ene-5,16-dicarboxylic acid dimethyl ester|Methyl anhydrodirubine
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
3??,6??,8??-Triacetoxy-4??,5??-epoxygermacr-1(10)E-ene
(19E)-10,2xi-dimethoxy-(16alpha)-16,7-dihydro-2H-[1,4]oxazepino[4,5,6:1,2,16]-17-nor-cur-19-en-3-one|10-methoxy-tsilanine|10-Methoxytsilanin
(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
(19R)-1-acetyl-17,19-epoxy-10-methoxy-4-methyl-3,4-seco-cur-20-en-3-one|10-Methoxy-strychnobrasilin|10-methoxy-strychnobrasiline
(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
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
11-methoxy-1-methyl-3-oxo-vobasan-17-oic acid methyl ester|Ochropin
ent-abierubesin E|methyl (16R*)-1alpha,6beta,7,17-tetrahydroxy-7alpha,20-epoxy-ent-abiet-8(14)-en-15-oate
10-methoxyapoyohimbine|methyl 16,17-didehydro-10,11-dimethoxyyohimban-16-carboxylate
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
6beta,7beta,11beta,14beta-tetrahydroxy-16beta-methoxymethyl-7alpha,20-epoxy-ent-kaur-15-one|parvifoline S
10-hydroxy-5,14-diacetoxy-11,12-dehydrofarnesol acetate
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
pregnenolone sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3]. Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3].
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 Ala His Val
Ala Ala Val His
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Ala His Gly Ile
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Ala His Val Ala
Ala Ile Gly His
Ala Ile His Gly
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Ala Leu Gly His
Ala Leu His Gly
Ala Leu Pro Pro
Ala Pro Ile Pro
Ala Pro Leu Pro
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Ala Pro Pro Leu
Ala Val Ala His
Ala Val His Ala
Gly Ala His Ile
Gly Ala His Leu
Gly Ala Ile His
Gly Ala Leu His
Gly His Ala Ile
Gly His Ala Leu
Gly His Ile Ala
Gly His Leu Ala
Gly Ile Ala His
Gly Ile His Ala
Gly Leu Ala His
Gly Leu His Ala
His Ala Ala Val
His Ala Gly Ile
His Ala Gly Leu
His Ala Ile Gly
His Ala Leu Gly
His Ala Val Ala
His Gly Ala Ile
His Gly Ala Leu
His Gly Ile Ala
His Gly Leu Ala
His Ile Ala Gly
His Ile Gly Ala
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His Leu Gly Ala
His Val Ala Ala
Ile Ala Gly His
Ile Ala His Gly
Ile Ala Pro Pro
Ile Gly Ala His
Ile Gly His Ala
Ile His Ala Gly
Ile His Gly Ala
Ile Pro Ala Pro
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Leu Ala Gly His
Leu Ala His Gly
Leu Ala Pro Pro
Leu Gly Ala His
Leu Gly His Ala
Leu His Ala Gly
Leu His Gly Ala
Leu Pro Ala Pro
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Val Ala Ala His
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Isopetasoside
1-Hexanol arabinosylglucoside
1-PHENYL-2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)-1H-BENZO[D]IMIDAZOLE
3,3-DI-TERT-BUTYL-4H,4H-[1,1-BINAPHTHALENYLIDENE]-4,4-DIONE
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
Etonitazene
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
1,4-bis[(4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
(Z)-3-ETHOXY-6-(3,4,5-TRIMETHOXYSTYRYL)BENZENE-1,2-DIOL
2-N,4-N,6-N-tris(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
N-Ethyl-N-heptyl-4-(4-(methylsulfonamido)phenyl)-4-oxobutanamide
2-(3-(9,9-dimethyl-9H-fluoren-2-yl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-(N,N-DIETHYL)-2-METHYL-P-PHENYLENEDIAMINEMONOHYDROCHLORIDE
Etarotene
C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
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
N-(Tert-butyl)-3,5-dimethyl-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-YL)carbonyl]benzohydrazide
6-Carbamimidoyl-2-[2-hydroxy-5-(3-methoxy-phenyl)-indan-1-YL]-hexanoic acid
2-Hexoxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
methyl (5E,6S,7S)-7-(acetoxymethyl)-5-ethylidene-1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate
methyl (1S,2S)-2-(acetyloxymethyl)-16-ethyl-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9,15-pentaene-2-carboxylate
2-[[3,5-Dihydroxy-4-methoxy-6-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-ethyloxane-3,4,5-triol
[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
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.
(4-Ethoxyphenyl)-[4-[(4-ethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methanone
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
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,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-(4-phenylphenyl)-2-azetidinyl]methyl]-2-methoxy-N-methylacetamide
(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
2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
(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,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)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,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)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,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
N-[[(2S,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-(4-phenylphenyl)-2-azetidinyl]methyl]-2-methoxy-N-methylacetamide
N-[[(2R,3S,4R)-1-acetyl-4-(hydroxymethyl)-3-(4-phenylphenyl)-2-azetidinyl]methyl]-2-methoxy-N-methylacetamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
(1R,5S)-6-[(2-methoxyphenyl)methyl]-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
1-[(2R,3R)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]propan-1-one
Aspidospermidine-3-carboxylic acid, 20-(acetyloxy)-2,3-didehydro-, methyl ester, (5alpha,12beta,19alpha,20R)-
(9S,10R)-10-hydroxy-9-(phosphonooxy)octadecanoic acid
dimethyl (1R,16R,18R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate
methyl (1S,12S,19S)-12-(1-acetyloxyethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
dimethyl (1R,16R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate
[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
methyl (E)-2-[(3R,12bS)-3-ethenyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
O-acetyl-15alpha-stemmadenine
An acetate ester resulting from the formal condensation of the hydroxy group of 15alpha-stemmadenine with the carboxy group of acetic acid.
4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide
(-)-Echitovenine
An Aspidosperma alkaloid that is (5alpha,12beta,19alpha)-2,3-didehydroaspidospermidine which is substituted by a methoxycarbonyl group at position 3 and by an acetoxy group at position 20.
(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
methyl 3-ethyl-2-(3-methoxy-3-oxoprop-1-en-2-yl)-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizine-6-carboxylate
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
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
methyl (2e)-2-[(2s,3r,12br)-3-ethenyl-8-methoxy-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
(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
methyl (9s,12s,13z,16s,17r,18s)-13-ethylidene-18-hydroxy-5-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-17-carboxylate
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
methyl (2s,3s,6s,12bs)-3-ethyl-2-(3-methoxy-3-oxoprop-1-en-2-yl)-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizine-6-carboxylate
(15e)-15-ethylidene-4,10-dimethoxy-11-oxa-8,17-diazahexacyclo[12.5.2.1¹,⁸.0²,⁷.0¹⁷,²⁰.0¹³,²²]docosa-2,4,6-trien-9-one
methyl (1r,12r,19r)-12-[(1r)-1-(acetyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9-tetraene-10-carboxylate
(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
(2r,3s,4s,5r,6r)-2-({[(2r,3r,4s)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(hexyloxy)oxane-3,4,5-triol
(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
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
(2r,3r,4s,5r,6r)-2-(hexyloxy)-6-({[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2s,3r,4r)-4,8-diamino-2,3,5,7,9-pentahydroxy-n-[1-(c-hydroxycarbonimidoyl)-2-(c-hydroxycarbonimidoylamino)ethyl]nonanimidic acid
(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"}