Exact Mass: 292.1939
Exact Mass Matches: 292.1939
Found 500 metabolites which its exact mass value is equals to given mass value 292.1939,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Carteolol
Carteolol is only found in individuals that have used or taken this drug. It is a beta-adrenergic antagonist used as an anti-arrhythmia agent, an anti-angina agent, an antihypertensive agent, and an antiglaucoma agent. [PubChem]The primary mechanism of the ocular hypotensive action of carteolol in reducing intraocular pressure is most likely a decrease in aqueous humor production. This process is initiated by the non-selective beta1 and beta2 adrenergic receptor blockade. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
12-oxo-PDA
12-oxo-pda, also known as (15z)-12-oxophyto-10,15-dienoate or 12-oxo-10,15(Z)-phytodienoic acid, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Thus, 12-oxo-pda is considered to be an octadecanoid lipid molecule. 12-oxo-pda is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 12-oxo-pda can be found in corn, which makes 12-oxo-pda a potential biomarker for the consumption of this food product. D006133 - Growth Substances > D010937 - Plant Growth Regulators
trichodermin
A tetracyclic spiroepoxide which acts as an antifungal and protein synthesis inhibitor. D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
[6]-Gingerdione
[6]-Gingerdione is found in ginger. [6]-Gingerdione is a constituent of Zingiber officinale (ginger). Constituent of Zingiber officinale (ginger). [6]-Gingerdione is found in herbs and spices and ginger.
FA 18:4;O
A long-chain, divinyl ether fatty acid composed of 8-nonenoic acid in which the E-hydrogen at position 9 is substituted by a (1E,3Z,6Z)-nona-1,3,6-trien-1-yloxy group.
(2'E,4'Z,7'Z,8E)-Colnelenic acid
Product of enzymic oxidation of potato lipids. (2E,4Z,7Z,8E)-Colnelenic acid is found in alcoholic beverages and potato. (2E,4Z,7Z,8E)-Colnelenic acid is found in alcoholic beverages. Product of enzymic oxidation of potato lipid
Thioperamide
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Thioperamide (MR-12842) is a potent, orally available, brain penetrant and selective H3 receptor antagonist with a Ki of 4.3 nM for inhibition of [3H]histamine release. Thioperamide inhibits [3H]histamine synthesis with a Ki of 31 nM[1].
Acetylvalerenolic acid
Acetylvalerenolic acid is found in fats and oils. Acetylvalerenolic acid is a constituent of Valeriana officinalis (valerian) Constituent of Valeriana officinalis (valerian). Acetylvalerenolic acid is found in tea, fats and oils, and herbs and spices. Acetylvalerenolic acid is a sesquiterpenoid.
Acetylbalchanolide
Acetylbalchanolide is found in herbs and spices. Acetylbalchanolide is a constituent of yarrow (Achillea millefolium). Constituent of yarrow (Achillea millefolium). Acetylbalchanolide is found in herbs and spices.
Isotrichodermin
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes Isotrichodermin is from Fusarium culmorum and Fusarium roseu D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins From Fusarium culmorum and Fusarium roseum
(3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate
(3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate is found in giant butterbur. (3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate is a constituent of Petasites japonicus (sweet coltsfoot) Constituent of Petasites japonicus (sweet coltsfoot). 6-Acetylfuranofukinol is found in giant butterbur and green vegetables.
(4E)-1-(3,4-dihydroxy-5-methoxyphenyl)dec-4-en-3-one
Panaquinquecol 1
Panaquinquecol 1 is found in tea. Panaquinquecol 1 is found in American ginseng (Panax quinquefolium). Found in American ginseng (Panax quinquefolium)
(S)-3-Octanol glucoside
(S)-3-Octanol glucoside is found in herbs and spices. (S)-3-Octanol glucoside is a constituent of spearmint (Mentha spicata var. crispa). Constituent of spearmint (Mentha spicata variety crispa). (S)-3-Octanol glucoside is found in herbs and spices.
6-Hydroxyshogaol
6-Hydroxyshogaol is found in herbs and spices. 6-Hydroxyshogaol is a constituent of ginger (Zingiber officinale). Constituent of ginger (Zingiber officinale). 6-Hydroxyshogaol is found in herbs and spices.
9-Acetoxyfukinanolide
9-Acetoxyfukinanolide is found in giant butterbur. 9-Acetoxyfukinanolide is a constituent of Petasites japonicus (sweet coltsfoot) Constituent of Petasites japonicus (sweet coltsfoot). 9-Acetoxyfukinanolide is found in giant butterbur and green vegetables.
[7]-Paradol
Constituent of Amomum melegueta (grains of paradise). [7]-Paradol is found in alcoholic beverages, herbs and spices, and ginger. [7]-Paradol is found in alcoholic beverages. [7]-Paradol is a constituent of Amomum melegueta (grains of paradise).
Dimethindene
Dimethindene is only found in individuals that have used or taken this drug. It is an antihistamine/anticholinergic used orally and locally as an antipruritic.Dimethindene is a selective histamine H1 antagonist and binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine. D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
Lerisetron
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent Lerisetron is a potent 5-HT3 antagonists and possess high-affinity binding for the 5-HT3 receptors with pKi value of 9.2. Lerisetron has a potent ability to inhibit the 5-HT-evoked reflex bradycardia in urethane-anesthetized rats[1].
Trichoderonin
Methyl [6]-paradol
Methyl [6]-paradol is a member of the class of compounds known as dimethoxybenzenes. Dimethoxybenzenes are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. Methyl [6]-paradol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Methyl [6]-paradol can be found in ginger, which makes methyl [6]-paradol a potential biomarker for the consumption of this food product.
cis-12-Oxophytodienoic acid
Cis-12-oxophytodienoic acid, also known as 12-oxo-cis-10, cis-15-phytodienoic acid or 12-oxo-pda, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Cis-12-oxophytodienoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Cis-12-oxophytodienoic acid can be found in flaxseed, which makes cis-12-oxophytodienoic acid a potential biomarker for the consumption of this food product.
2-Hydroxy-4-methoxy-7-methyl-7,8,9,10,11,12,13,14-octahydro-6-oxabenzocyclododecen-5-one
2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Salinipyrone B
A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3, 4, 5 and 6 are replaced by methyl, hydroxy, methyl and (1Z,3Z,5S,6R)-6-hydroxy-3,5-dimethylocta-1,3-dien-1-yl groups, respectively. It is a polyketide isolated from the marine actinomycete Salinispora pacifica.
1alpha-Acetoxy-11beta(H),13-dihydrodouglanin
N-[3-(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-propyl]-guanidine
7alpha-Hydroxypodocarp-8(14)-en-13-one-16-oic acid
9beta-Acetoxy-4,5-dehydro-4(15)-dihydrocostic acid
4-methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-1-pentanone
6-isopropyl-3-(4-isopropylphenyl)-3,4-dihydroquinazoline
8-[3-oxo-2-[(E)-pent-2-enyl]cyclopenten-1-yl]octanoic acid
1COOH-2But-A7EO3
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
(5aR,7S,9aS,9bR)-7-acetoxy-5,5a,6,7,8,9,9a,9b-octahydro-6,6,9a-trimethyl-naphtho-<1,2-c>-furan-1(3H)-one|3-beta-acetoxydrimenin|3beta-acetoxydrimenin
(3S,2E)-2-(11-dodecenylidene)-3-methoxy-4-methylenebutanolide
15-nor-1beta,4alpha,14-trihydroxy-13-methoxy-8,11,13-podocarpatriene
(-)-ecklonialactone B|Ecklonialactone B|ecklonialactone-B
15-Acetoxy-11betaH-germacra-1(10)E,4E-diene-12,6alpha-olide
14,15-dinor-13-oxo-8(17)-labden-19-oic acid|15,16-Bisnor-13-oxo-8(17)-labden-19-oic acid
(-)-(1R,2S,6R,10S)-2alpha-acetoxy-11-methoxyamorpha-4,7-diene
1alpha-acetoxyeudesm-4(15)-en-5alpha,6beta,11betaH-12,6-olide
3beta-acetoxygermacra-1(10)E,4E,11(13)-trien-12-oic acid
4-({[(2R)-2-methyloctyl]oxy}carbonyl)benzoic acid|cotonoate A
7,8-dihydroxy-15,16-dinorlabda-8(20),11-dien-13-one|amentotaxin B
2alpha-acetoxy-germacra-1(10)E,4E,11(13)-trien-12-oic acid
7,8-seco-2,5-dihydroxy-12-acetoxycalam-8-ene|myrracalamene A
9alpha-hydroxy-13-acetyltricho-2(12),10(11)-diene-3-one
3beta-acetoxy-eremophila-1(10),11(13)-dien-12-oic acid
15-acetoxy-eremophila-1(10),11(13)-dien-12-oic acid
3-oxo-8alpha,12-dimethoxy-8,12-dihydro-10alphaH-furanoeremophil-1-ene
12-acetoxy-14-hydroxy-5Z-caryophyllen-7-one|13-acetoxy-14-hydroxy-(Z)-5,6-caryophyllen-7-one
(4R,4aR,5S,8aR,9aS)-4-(acetylxy)-4a,5,6,7,8,8a,9,9a-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|(6alpha,8alpha)-6-(acetyloxy)eremophil-7(11)-en-12,8-olide
1-Acetoxy-2-isopropenyl-3-methylen-4-(alpha-methyl-butyryloxy)-cyclohexen-(5)|1-Acetoxy-2-isopropenyl-3-methylen-4--cyclohexen-(5)
1beta-acetoxy-eremophila-9,11(13)-dien-12-oic acid
3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-3-en-5-one
6beta-Acetoxy-10beta-hydroxyfuraneremophilan|6beta-acetoxyfuranoeremophilan-10beta-ol|furanoeremophilane-6beta,10beta-diol 6-O-acetate
3,3,7,12a-tetramethyl-1,2,3,4,4a,11,12,12a-octahydrochrysene
3beta-acetoxy-eudesma-4(15),11(13)-dien-12-oic acid
(10E,14Z)-9-Hydroxy-10,14-octadien-12-ynoic acid|(10E,14Z)-9-hydroxyoctadeca-10,14-dien-12-ynoic acid
15-acetoxy-4-carboxy-11,11-dimethyl-bicyclogermacren-4E(5),10Z(1)-diene|volvalerenic acid D
(4Z)-1-(2,3,5-trihydroxy-4-methylphenyl)dec-4-en-1-one
6beta-hydroxy-9beta-acetoxy-eudesma-4,11-dien-3-one
(2Z,6R,8R,9E)-[3-ethyl-5-(2-ethylhex-3-enyl)-6-methyl-5H-furan-2-ylidene]acetic acid methyl ester
(+)-11,12-didehydroaristoteline|dehydro-9,10 aristoteline
(5SR,8SR,9SR,10RS,13SR)-3,13-dihydroxy-15,16-dinorlabr-3-en-2-one|tagalsin P
(9Z,12Z)-(+)-form-7-Hydroxy-9,12-octadecadien-5-ynoic acid
(9S,10E,16R)-octadec-10-ene-12,14-diyne-1,9-16-triol
(3S*,7R*,8R*,11R*)-3-Acetoxygermacra-1(10)E,4Z-dien-8,12-olide|Ac -(1(10)E,3beta,4Z,8beta,11betaH)-3-Hydroxy-1(10),4-germacradien-12,8-olide
1,4-dimethoxycarbonyl-7-(1-methylethyl)-3,3a,6,7,8,8a-hexahydroazulene|viscoazucine
13-Ethoxy-lupanin|9-ethoxy-dodecahydro-7,14-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-4-one
3beta-acetoxy-7-drimen-12,11-olide|3beta-acetoxycinnamolide|3beta-hydroxycinnamolide acetate|cinnamolide-3beta-acetate
1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-2-methyl-1-butanone
3-(5-isopropyl-7-methylene-5,6,7,7a-tetrahydro-3H-pyrrolizin-3-ylmethyl)-indole|Pedunculanin
6alpha-Acetoxy-11,13-dihydro-5,7alphaH,8,11betaH-eudesm-4(15)-en-8,12-olide
2-(2-Aethyl-4,5-dimethoxy-phenaethyl)-3-methyl-valeraldehyd|2-(2-ethyl-4,5-dimethoxy-phenethyl)-3-methyl-valeraldehyde
N-Butyl,diethylaminoethyl ester-4-Aminobenzoic acid
1-(3,4-dihydroxyphenyl)dodecan-5-one|1-(3,4-Dihydroxyphenyl)-5-dodecanone
2,2,6-Trimethyl-4-(4-quinolinyl)-3-azabicyclo[3.3.1]non-6-ene
(11S,16S,9Z)-9-octadecene-12,14-diyne-1,11,16-triol|oplopantriol B
(R)-(E)-8-Hydroxy-11,17-octadecadien-9-ynoic acid|8-Hydroxy-octadecadien-(trans-11,17)-in-(9)-saeure|8-hydroxy-trans-11,17-octadecadien-9-ynoic acid
(4S)-13-Acetoxydehydrocurdione|Ac-13-Hydroxydehydrocurdione
Chrysene, 1,2,3,4,4a,11,12,12a-octahydro-3,4,7,12a-tetramethyl-
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
C18H28O3_8-{(1S,5R)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoic acid
C17H24O4_2-Propenoic acid, 3-[(1R,4S,7R,7aR)-1-(acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)
C17H24O4_Bicyclo[7.2.0]undec-4-en-3-one, 11-[(acetyloxy)methyl]-4-(hydroxymethyl)-11-methyl-8-methylene-, (1R,4Z,9S)
C18H28O3_2H-Pyran-2-one, tetrahydro-4-hydroxy-6-[2-(1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl)ethyl]
4-hydroxy-6-[2-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)ethyl]oxan-2-one
CARTEOLOL
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Thioperamide
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Thioperamide (MR-12842) is a potent, orally available, brain penetrant and selective H3 receptor antagonist with a Ki of 4.3 nM for inhibition of [3H]histamine release. Thioperamide inhibits [3H]histamine synthesis with a Ki of 31 nM[1].
dimethindene
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
9-Acetoxyfukinanolide
Isotrichodermin
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
6-Acetylfuranofukinol
Acetoxyvalerenic acid
4-Hydroxy-6-[2-(2-methyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)ethyl]tetrahydro-2H-pyran-2-one
Ectocarpin A
tert-Butyl (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-ylcarbamate
tert-butyl 4-[3-(hydroxymethyl)phenyl]piperazine-1-carboxylate
2-(4-Cyclohexylaminomethyl-2-methoxy-phenoxy)-acetamide
2,6-bis[(3-methoxypropyl)amino]-4-methylnicotinonitrile
(1S,4R,5R,6R)-N,N,N,N-tetraethylbicyclo[2.2.1]hept-2-ene-5,6-dicarboxamide
N,N-dimethyl-3-(11-methylidene-6H-benzo[c][1]benzazepin-5-yl)propan-1-amine
Octyl alpha-D-glucopyranoside
D013501 - Surface-Active Agents > D003902 - Detergents
(S)-BENZYL (1-(ISOPROPYLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)CARBAMATE
Leucinocaine
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
2-Fluoro-6-(pyrrolidin-1-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanohydrazide
3-(2-METHOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(3-HYDROXYPHENYL)-1,4-DIAZEPANE, N1-BOC PROTECTED 95TERT-BUTYL 4-(3-HYDROXYPHENYL)PERHYDRO-1,4-DIAZEPINE-1-CARBOXYLATE
3-(4-METHOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(3-METHOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-Fluoro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
4-O-(2-ethylhexyl) 1-O-methyl benzene-1,4-dicarboxylate
1-[[4-(diethoxymethyl)phenyl]methyl]-4-methylpiperazine
5-Fluoro-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine
(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid,(1R)-1-phenylethanamine
tert-butyl 4-(3,4-diaminophenyl)piperazine-1-carboxylate
(3S,4S)-TERT-BUTYL 3-(BENZYLAMINO)-4-HYDROXYPYRROLIDINE-1-CARBOXYLATE
tert-butyl 4-[4-(aminomethyl)pyridin-2-yl]piperazine-1-carboxylate
Guanidine,N,N-1,10-decanediylbis-, hydrochloride (1:2)
TERT-BUTYL 4-(HYDROXYMETHYL)-4-(PYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE
TERT-BUTYL 4-(HYDROXYMETHYL)-4-(PYRIDIN-4-YL)PIPERIDINE-1-CARBOXYLATE
6-(2-(Dimethylamino)ethoxy)pyridine-3-boronic acid pinacol ester
trimethyl-(1-trimethylsilyl-3-trimethylsilyloxypropan-2-yl)oxysilane
[2-Fluoro-4-(trans-4-pentylcyclohexyl)phenyl]boronic acid
(S)-TERT-BUTYL (1-(3-AMINOPYRIDIN-4-YL)PIPERIDIN-3-YL)CARBAMATE
(2E)-3-(4-METHOXYPHENYL)-1-(4-METHYLPHENYL)PROP-2-EN-1-ONE
tert-Butyl 4-(4-aminophenoxy)piperidine-1-carboxylate
tert-butyl 4-(2-aminophenoxy)piperidine-1-carboxylate
[1-(2-hydroxymethyl-phenyl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester
3-(4-AMINOPHENOXY)PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
TERT-BUTYL 4-((2-AMINOPYRIDIN-3-YL)AMINO)PIPERIDINE-1-CARBOXYLATE
6-Ethyl-5-methyl-3-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-2-py razinecarbonitrile
Octyl β-D-glucopyranoside
An beta-D-glucoside in which the anomeric hydrogen of beta-D-glucopyranose is substituted by an octyl group. D013501 - Surface-Active Agents > D003902 - Detergents
Monoisononyl phthalate
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isononanol.
2-[(4,4-Dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
salinipyrone A
A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3, 4, 5 and 6 are replaced by methyl, hydroxy, methyl and (1E,3E,5S,6R)-6-hydroxy-3,5-dimethylocta-1,3-dienyl groups, respectively. It is a polyketide isolated from the marine actinomycete Salinispora pacifica.
4-Fluoro-19-nortestosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
1-(2-(2-Methyl-5-pyridyl)ethyl)-3-propyl-2-methylindole
8-[(1R,5R)-4-oxo-5-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
8-(3-Oxo-2-(pent-2-enyl) cyclopentenyl)octanoic acid
(9Z,11Z,14E,16Z)-13-Oxa-9,11,14,16-nonadecatetraenoic acid
[(1S,2R,11R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-11-yl] acetate
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(+-)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+)
8-[2-oxo-5-[(Z)-pent-2-enyl]cyclopent-3-en-1-yl]octanoic acid
12-Oxophytodienoic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators
8-(2-(cis-2-Pentenyl)-3-oxo-cis-4-cyclopentenyl)octanoic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators
(E,11Z)-11-[3-[(E)-pent-2-enyl]oxiran-2-ylidene]undec-9-enoic acid
[3-Carboxy-2-(3,5-dihydroxy-3-methylpentanoyl)oxypropyl]-trimethylazanium
9s,13r-12-Oxophytodienoic Acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators
(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid
A long-chain trienoic fatty acid consisting of octadecanoic acid having the three double bonds at positions 9, 11 and 15 as well as an epoxy ring linking positions 12 and 13.
[(1S,5Z,9R,10R)-6-(hydroxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undec-5-enyl]methyl acetate
N-(3-phenyl-2-propen-1-ylidene)-4-(2-pyridinyl)-1-piperazinamine
CID 14733837
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
N-cyclohexyl-4-(4H-imidazol-4-yl)-1-piperidinecarbothioamide
N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
(Z)-10-[(1R,2S,3S,5S)-3-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hexan-2-yl]dec-9-enoic acid
(E)-3-[(1R,4S,7R,7aR)-1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
2-Methyl-3-phenylbutane-1,1-dicarboxylic acid diethyl ester
3,4-Dihydro-7-hydroxy-6-hexyl-2-methyl-2H-1-benzopyran-2-ethanol
8-[2-oxo-5-[(E)-pent-2-enyl]cyclopent-3-en-1-yl]octanoic acid
[1-Carboxy-3-(2-hydroxy-3-propanoyloxypropoxy)propyl]-trimethylazanium
12-oxo-phytodienoic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators
(4beta,12R)-12,13-epoxytrichothec-9-en-4-yl acetate
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
alpha-Licanic acid
A trienoic fatty acid comprising alpha-eleostearic acid having a 4-oxo substituent.
(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid
(9R,13R)-12-oxophytodienoic acid
The (9R,13R)-diastereomer of 12-oxophytodienoic acid.
(3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate
11,17-Octadecadien-9-ynoic acid, 8-hydroxy-, (E)-(-)-
Deschloroclozapine
Deschloroclozapine, a metabolite of Clozapine, is a highly potent muscarinic DREADDs agonist. Deschloroclozapine binds to DREADD receptor subtypes hM3Dq and hM4Di with Ki of 6.3 and 4.2 nM, respectively. [11C]-Deschloroclozapine is developed as a promising PET tracer for DREADD imaging[1][2][3].
(3r,6r,7s)-13-hydroxy-11-methoxy-3-methyl-6-(prop-1-en-2-yl)-2-oxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-10-one
1-[2-(but-3-en-2-yl)-3,6-dihydroxy-5-methylphenyl]-2-methylpropan-2-yl acetate
(3s,6r,7r,11s,13s)-11-hydroxy-13-methoxy-3-methyl-6-(prop-1-en-2-yl)-2-oxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-10-one
3-[1-(acetyloxy)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1h-inden-4-yl]-2-methylprop-2-enoic acid
3-(1-methoxydodec-11-en-1-yl)-5-methylidenefuran-2-one
[(1s,2r,5s)-4,4-dimethyl-13-oxo-12-oxatricyclo[6.3.2.0²,⁵]tridec-8-en-1-yl]methyl acetate
4-[3-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]but-3-en-2-one
(1r,5as,9as,9br)-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-1-yl acetate
2-hydroxy-4,4a,6-trimethyl-8-oxo-2,3,4,7,9,10-hexahydrobenzo[8]annulen-7-yl acetate
[(1s,5z,9r,10s)-6-(hydroxymethyl)-10-methyl-2-methylidene-7-oxobicyclo[7.2.0]undec-5-en-10-yl]methyl acetate
11-(acetyloxy)-2,5,9-trimethyltricyclo[6.3.0.0¹,⁵]undec-3-ene-3-carboxylic acid
(2s,4s,4as,5z,7s)-2-hydroxy-4,4a,6-trimethyl-8-oxo-2,3,4,7,9,10-hexahydrobenzo[8]annulen-7-yl acetate
(6z,8e,10s,12z,15z)-10-hydroxyoctadeca-6,8,12,15-tetraenoic acid
2-[6-(acetyloxy)-4a-methyl-8-methylidene-octahydronaphthalen-2-yl]prop-2-enoic acid
[(5r)-5-[(1s,4s)-4-hydroxy-1,4-dimethylcyclohex-2-en-1-yl]-5-methyl-3-oxocyclopent-1-en-1-yl]methyl acetate
2-[(2r,4as,6s,8as)-6-(acetyloxy)-4a-methyl-8-methylidene-octahydronaphthalen-2-yl]prop-2-enoic acid
2-(3,7-dihydroxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl acetate
3,6,10-trimethyl-2-oxo-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate
(2r)-2-[4-methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]oxirane
1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-methylbutan-1-one
(2e)-3-[(1s,4s,7r,7ar)-1-(acetyloxy)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1h-inden-4-yl]-2-methylprop-2-enoic acid
[(1r,4e,9r,11r)-11-(hydroxymethyl)-11-methyl-8-methylidene-3-oxobicyclo[7.2.0]undec-4-en-4-yl]methyl acetate
3,6,10-trimethyl-2-oxo-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl acetate
8-(4-methylpent-3-en-1-yl)-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-8-en-3-yl acetate
(5r,5as,9as)-6,6,9a-trimethyl-1-oxo-3h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl acetate
(5r,5ar,9as,9bs)-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-5-yl acetate
3-heptyl-6,8-dihydroxy-5-methyl-3,4-dihydro-2-benzopyran-1-one
(8r,9s,10s)-10-methoxyheptadec-16-en-4,6-diyne-8,9-diol
[(1r,5z,9r,10s)-6-(hydroxymethyl)-10-methyl-2-methylidene-7-oxobicyclo[7.2.0]undec-5-en-10-yl]methyl acetate
3-({6-isopropyl-8-methylidene-6-azabicyclo[3.2.1]oct-3-en-7-yl}methyl)-1h-indole
(8r)-8-hydroxy-2-nonyl-5,6,7,8-tetrahydrochromen-4-one
10-{2-[3-(pent-2-en-1-yl)oxiran-2-yl]ethenyl}oxecan-2-one
2-[(2r,4as,7s,8ar)-7-(acetyloxy)-4a-methyl-8-methylidene-octahydronaphthalen-2-yl]prop-2-enoic acid
[(1s,5z,10s)-6-(hydroxymethyl)-10-methyl-2-methylidene-7-oxobicyclo[7.2.0]undec-5-en-10-yl]methyl acetate
6-{4-[(acetyloxy)methyl]cyclohex-3-en-1-yl}-2-methylhepta-2,6-dienoic acid
(3e,4s)-3-(dodec-11-en-1-ylidene)-4-methoxy-5-methylideneoxolan-2-one
10-methoxyheptadeca-1-ene-4,6-diyne-3,9-diol
{"Ingredient_id": "HBIN000167","Ingredient_name": "10-methoxyheptadeca-1-ene-4,6-diyne-3,9-diol","Alias": "NA","Ingredient_formula": "C18H28O3","Ingredient_Smile": "CCCCCCCCC(C(C#CC#CC(C=C)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31544","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15,16-bisnor-13-oxo-8(17)-labden-19-oicacid
{"Ingredient_id": "HBIN001563","Ingredient_name": "15,16-bisnor-13-oxo-8(17)-labden-19-oicacid","Alias": "NA","Ingredient_formula": "C18H28O3","Ingredient_Smile": "CC(=O)CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14492","TCMID_id": "2489","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-dehydroxy-5-o-methylembelin
{"Ingredient_id": "HBIN005522","Ingredient_name": "2-dehydroxy-5-o-methylembelin","Alias": "NA","Ingredient_formula": "C18H28O3","Ingredient_Smile": "CCCCCCCCCCCC1=CC(=O)C=C(C1=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4986","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,8-dihydroxy-2-(1-beta,beta-dimethylacryloyloxy-4-methylpentyl)-1,4-naphthoquinone
{"Ingredient_id": "HBIN011335","Ingredient_name": "5,8-dihydroxy-2-(1-beta,beta-dimethylacryloyloxy-4-methylpentyl)-1,4-naphthoquinone","Alias": "NA","Ingredient_formula": "C21H24O","Ingredient_Smile": "NA","Ingredient_weight": "372.417","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7703","PubChem_id": "NA","DrugBank_id": "NA"}
