Exact Mass: 290.1729
Exact Mass Matches: 290.1729
Found 500 metabolites which its exact mass value is equals to given mass value 290.1729,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Epitulipinolide
Epi-tulipinolide is a germacranolide with formula C17H22O4, originally isolated from Liriodendron tulipifera. It exhibits anti-cancer and anti-oxidant properties. It has a role as an antineoplastic agent, an antioxidant and a plant metabolite. It is a germacranolide and an acetate ester. Epitulipinolide is a natural product found in Cassinia aculeata, Ageratina ligustrina, and Liriodendron tulipifera with data available. A germacranolide with formula C17H22O4, originally isolated from Liriodendron tulipifera. It exhibits anti-cancer and anti-oxidant properties.
Azatadine
Antihistamines such as azatadine appear to compete with histamine for histamine H1- receptor sites on effector cells. The antihistamines antagonize those pharmacological effects of histamine which are mediated through activation of H1- receptor sites and thereby reduce the intensity of allergic reactions and tissue injury response involving histamine release. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Tulipinolide
A germacranolide based on a 2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl skeleton.
Laurenobiolide
Laurenobiolide is found in herbs and spices. Laurenobiolide is a constituent of Laurus nobilis (bay laurel). Constituent of Laurus nobilis (bay laurel). Laurenobiolide is found in sweet bay and herbs and spices.
1-Dehydro-[6]-gingerdione
1-dehydro-[6]-gingerdione belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. 1-dehydro-[6]-gingerdione is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1-dehydro-[6]-gingerdione can be found in ginger, which makes 1-dehydro-[6]-gingerdione a potential biomarker for the consumption of this food product.
3-Polyprenyl-4,5-dihydroxybenzoate
This compound belongs to the family of Hydroxybenzoic Acid Derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-methoxy-2-methylbenzene-1,4-diol
Octyl_methoxycinnamate
2-ethylhexyl p-methoxycinnamate is a colorless to pale yellow viscous liquid. (NTP, 1992) Octyl 4-methoxycinnamic acid is a cinnamate ester. Octinoxate is a cinnamate ester and common ingredient in sunscreen and other skin care products to minimize DNA photodamage. It was originally developed in 1950s as an organic UV-B filter that absorbs UV-B rays from sun. It is often combined with nanoparticles or other water-resistant liposomes in formulations to increase the localization at the epidermis and decrease the risk of percutaneous absorption. Its use in pharmaceutical and cosmetic formulations is approved by FDA. See also: Octinoxate; Octisalate; Octocrylene; Zinc Oxide (component of); Octinoxate; Octisalate; Oxybenzone; Zinc Oxide (component of); Arbutin; octinoxate (component of) ... View More ... D - Dermatologicals > D02 - Emollients and protectives > D02B - Protectives against uv-radiation > D02BA - Protectives against uv-radiation for topical use D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents C1892 - Chemopreventive Agent > C851 - Sunscreen D003879 - Dermatologic Agents D003358 - Cosmetics Octinoxate is an organic compound that is a component of sunscreen and lipstick. It is mainly used in cosmetics such as sunscreen to absorb UV-B rays from the sun and protect the skin from damage. It can also be used to reduce the appearance of scars.
Procaterol
Procaterol is only found in individuals that have used or taken this drug. It is a long-acting beta-2-adrenergic receptor agonist. It is a potent bronchodilator that may be administered orally or by aerosol inhalation. [PubChem]Beta(2)-receptor stimulation in the lung causes relaxation of bronchial smooth muscle, bronchodilation, and increased bronchial airflow. R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
Octyl 4-methoxycinnamic acid
Octyl 4-methoxycinnamic acid belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
(9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid
(9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid is found in fruits. (9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid is obtained from Chrysobalanus icaco seed oi obtained from Chrysobalanus icaco seed oil. (9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid is found in fruits and italian sweet red pepper.
Oudemansin A
Oudemansin A is found in mushrooms. Oudemansin A is a metabolite of Oudemansiella mucida (porcelain fungus). Metabolite of Oudemansiella mucida (porcelain fungus). Oudemansin A is found in mushrooms.
1-Octen-3-yl glucoside
1-Octen-3-yl glucoside is found in herbs and spices. 1-Octen-3-yl glucoside is a constituent of spearmint (Mentha spicata var. crispa). Constituent of spearmint (Mentha spicata variety crispa). 1-Octen-3-yl glucoside is found in herbs and spices.
[6]-Dehydrogingerdione
[6]-Dehydrogingerdione is found in herbs and spices. [6]-Dehydrogingerdione is isolated from Zingiber officinale (ginger
Diisopentyl thiomalate
Diisopentyl thiomalate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
O-Adipoylcarnitine
O-Adipoylcarnitine is an acylcarnitine. More specifically, it is an adipic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. O-Adipoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine O-adipoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
16alpha-Fluoroestradiol
4-Fluoroestradiol
Methyl 4-[(propionyl)phenylamino]piperidine-4-carboxylate
Dehydrogingerdione
Dehydrogingerdione is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Dehydrogingerdione is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dehydrogingerdione can be found in ginger, which makes dehydrogingerdione a potential biomarker for the consumption of this food product.
Laurenoniolide
Laurenoniolide belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Laurenoniolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Laurenoniolide can be found in sweet bay, which makes laurenoniolide a potential biomarker for the consumption of this food product.
Tulipinolide
Tulipinolide belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Tulipinolide is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tulipinolide can be found in sweet bay, which makes tulipinolide a potential biomarker for the consumption of this food product.
Fluoroestradiol F18
Acetoxydiplophyllin
3-(Acetyloxy)-5-(1,5-dimethyl-4-hexenyl)-2-methyl-2,5-cyclohexadiene-1,4-dione
9beta-Acetoxytournefortiolide
[1aS-(1aalpha,4alpha,4aalpha,5alpha,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-ol acetate
15-Acetoxyisoalloalantolactone
[3aR-(3aR*,5Z,9E,11aS*)]-6-[(Acetyloxy)methyl]-3a,4,7,8,11,11a-hexahydro-10-methyl-3-methylenecyclodeca[b]furan-2(3H)-one
beta-Cyclotulipinolide
3beta-Acetoxy-1(5),11(13)-guaiadien-12,8alpha-olide
8-Hydroxy-1-methoxy-Z-9-heptadecene-4,6-diyn-3-one
2alpha-Acetoxysphaerantholide
1-(5,7-dihydroxy-2,2,6-trimethyl-2H-1-benzopyran-8-yl)-2-methyl-1-butanone|3-Methyl-1-(5,7-Dihydroxy-2,2,6-trimethyl-2H-1-benzopyran-8-yl)-2-methyl-1-propanone
3-(6xi-hydroperoxy-3,7-dimethylocta-2,7-dienyl)-4-hydroxybenzaldehyde
1.beta.-Acetoxyeudesma-4(15),7(11)-dien-8.alpha.,12-olide
(E)-3-(7-hydroperoxy-3,7-dimethylocta-2,5-dienyl)-4-hydroxybenzaldehyde
(3S,2E)-2-(11-dodecynylidene)-3-methoxy-4-methylenebutanolide
3,4-dihydroxy-5-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-2-(3-methylbut-2-en-1-yl)benzaldehyde|sabphenol B
delta5,6-isomer,Ac-(3bata,8alpha)-3-Hydroxy-1(5),11(13)-guaiadien-12,8-olide
3H-Oxireno[8,8a]naphtho[2,3-b]furan-5-ol, 1a,2,4,4a,5,9-hexahydro-4,4a,6-trimethyl-, acetate
11beta,13-dihydrozaluzanin C acetate|3beta-Acetoxy-11betaH-guaia-4(15),10(14)-diene-12,6alpha-olide
1beta,14-dihydroxy-13-methoxy-8,11,13-podocarpatriene
14-acetoxy-11alphaH,13-dihydroeremanthin|Ac-(1alpha,5alpha,6alpha,11alphaH)-14-Hydroxy-4(15),9-guaiadien-12,6-olide
ent-14,15-Dinor-13-oxolabda-8(17),11-dien-18-oic acid
9-acetoxy-thymol 3-O-tiglate|9-Acetoxythymo l3-O-tiglate|9-Acetoxythymol 3-O-tiglate
(3E,7Z)-1-(2,6-dihydroxy-4-methoxyphenyl)-deca-3,7-dien-1-one|syzygiol B
1beta,13,14-trihydroxy-8,11,13-podocarpatrien-7-one|1beta,13,14-trihydroxypodocarpa-8,11,13-trien-7-one|1??,13,14-Trihydroxy-8,11,13-podocarpatrien-7-one
3-hydroxy-2,2,6-trimethyl-3H-spiro[1-benzofuran-2,1-cyclohexane]-5-carboxylic acid
(3alpha,5beta,10alpha)-13-methoxypodocarpa-8,11,13-trien-3,12-diol
(E)-4-acetoxy-6-methylene-5-(prop-1-en-2-yl)cyclohex-2-enyl 2-methylbut-2-enoate
chermesinone A
An azaphilone that is 7,8-dihydro-6H-isochromene substituted by a hydroxy group at position 7, methyl groups at positions 3 and 7 and a 3-methyl-2-oxopentyl group at position 8. It has been isolated from the culture of the mangrove endophytic fungus Penicillium chermesinum.
(E)-1-(4-hydroxy-3-methoxyphenyl)undec-4-en-3-one|1-(4-Hydroxy-3-methoxy-phenyl)-undec-4-en-3-on|1-(4-hydroxy-3-methoxy-phenyl)-undec-4-en-3-one
(1alpha,3alpha,4alpha,5alpha,8alpha)-15-(acetyloxy)linden-7(11)-eno-12,8-lactone|chlojaponilactone E|rel-(4aR,5-S,5aR,6aS,6bR,7aR)-5-[(acetyloxy)methyl]-4a,5,5a,6,6a,7,7a-octahydro-3,6b-dimethylcloprop[2,3]indeno[5,6-b]furan-2(4H)-one
15alpha-ethoxy-1alphaH,5alphaH,6betaH,7alphaH-3-oxo-10(14),11(13)-guaiadien-6,12-olide|ainsliaolide B
15-acetoxy-isogermafurenolide|2-[3,6-dimethyl-2-oxo-6-vinyl-2,4,5,6,7,7alpha-hexahydro-1-benzofuran-5-yl]prop-2-en-1-yl acetate
Laurenobiolide
A germacranolide isolated from Laurus nobilis L. and which has been shown to exhibit allergenic activity.
3beta,13,14-trihydroxy-8,11,13-podocarpatrien-7-one|3beta,13,14-trihydroxypodocarpa-8,11,13-trien-7-one
14,18-dihydroxy-13-methoxy-8,11,13-podocarpatriene
(9R,10R)-9-hydroxy-10-methoxy-3-oxo-heptadeca-4,6-diyne
6-Isobutyryl-5,7-dimethoxy-2,2-dimethyl-benzopyran
4.Xi.,5.xi.,7.xi.-Guaia-1(10),11(13)-dien-12-oic acid, 4,8-dihydroxy-, .gamma.-lactone, acetate
1-methoxy-(9R,10S)-epoxyheptadecan-4,6-diyn-3-one|1-methoxy-(9R,10S)-epoxyheptadecan-4,6-diyne-3-one
3-(3-Methyl-2-butenyl)-4-(3-methylbutyryl)oxybenzoic acid
3alpha-propionyloxy-7beta-eremophila-9,11-dien-8-one
(S?)-8-Hydroxy-octadec-17-en-9,11-diinsaeure|(S?)-8-hydroxy-octadec-17-ene-9,11-diynoic acid|8-Hydroxy-octadeccen-(17)-diin-(9,11)-saeure|Isanolic acid|Isanolsaeure
6-Dehydrogingerdione
[6]-Dehydrogingerdione is a hydroxycinnamic acid. [6]-Dehydrogingerdione is a natural product found in Curcuma longa and Zingiber officinale with data available.
C17H22O4_3-(5,9-Dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1~7,10~.0~1,6~]tridec-2-en-5-yl)propanoic acid
C17H22O4_3,8a-Dimethyl-5-methylene-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-8-yl acetate
C16H22N2O3_4,6,8-Decatrienamide, 3-hydroxy-2,2,4-trimethyl-10-(5-oxazolyl)-, (3R,4Z,6Z,8E)
C17H22O4_(6E,10E)-6,10-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl acetate
Octinoxate
D - Dermatologicals > D02 - Emollients and protectives > D02B - Protectives against uv-radiation > D02BA - Protectives against uv-radiation for topical use D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents C1892 - Chemopreventive Agent > C851 - Sunscreen D003879 - Dermatologic Agents D003358 - Cosmetics CONFIDENCE standard compound; INTERNAL_ID 2502 Octinoxate is an organic compound that is a component of sunscreen and lipstick. It is mainly used in cosmetics such as sunscreen to absorb UV-B rays from the sun and protect the skin from damage. It can also be used to reduce the appearance of scars.
(R,S)-Procaterol
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
(9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid
ascr#14
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (7R)-7-hydroxyoctanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
oscr#14
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 8-hydroxyoctanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
1-Ethyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
6-(Morpholin-4-yl)pyridine-3-boronic acid pinacol ester
8,8-Diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
TERT-BUTYL 2,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATE HYDROCHLORIDE
1(2H)-Quinolinecarboxylic acid, 3-(acetylamino)-3,4-dihydro-, 1,1-dimethylethyl ester
(E)-2-(3,5-Dimethoxystyryl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)morpholine
TERT-BUTYL 1H-SPIRO[FURO[3,4-C]PYRIDINE-3,4-PIPERIDINE]-1-CARBOXYLATE
N-isopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinamide
5-Amino-3-(1-naphthyl)-4-cyano-1-tert-butylpyrazole
methyl 2-methylprop-2-enoate,2-methylprop-2-enoic acid,styrene
5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carbohydrazide
Ethyl piperidinoacetylaminobenzoate
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
6-Cbz-2,2-dimethylhexahydropyrrolo[3,4-d]-1,3-oxazine
4-BENZYL-3-OXOPIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate
1-(Triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridin-5-ol
Dihydro-1-((4-butoxyphenyl)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
(S)-1-PYRROLIDIN-2-BENZYL-2-(N-CBZ-N-METHYL)AMINO-ETHANE
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanoic acid
2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]-5-nitro-1H-indole
methyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
tert-Butyl 4-(3,3-difluoropyrrolidin-1-yl)piperidine-1-carboxylate
(4-ethoxyphenyl) 4-propylcyclohexane-1-carboxylate
tetrahydrofuran-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
(3aR,5R,6S,6aR)-5-(2-hydroxy-3-(trimethylsilyl)propyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol
tert-Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate hydrochloride
1,1-Dimethyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
Ethyl 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
TERT-BUTYL 3,9-DIAZASPIRO[5.5]UNDECANE-3-CARBOXYLATE HYDROCHLORIDE
Fluoroestradiol F-18
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones V - Various > V09 - Diagnostic radiopharmaceuticals > V09I - Tumour detection C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate
7-Methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2,3-g]azecine
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists
(7R)-7-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]octanoic acid
8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]octanoic acid
5-Amino-3-(1-naphthalenylmethyl)-1-propan-2-yl-4-pyrazolecarbonitrile
1beta-Acetoxyeudesma-4(15),7(11)-dien-8alpha,12-olide
(S)-atropinium
An organic cation that is the conjugate acid of (S)-atropine arising from protonation of the tertiary amino group; major species at pH 7.3.
Platensic Acid
A polycyclic cage attached to a 2-carboxyethyl side chain. It is isolated from Streptomyces platensis.
Atropinium
An ammonium ion that is the conjugate acid of atropine arising from protonation of the tertiary amino group; major species at pH 7.3.
[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2R)-2-hydroxy-3-phenylpropanoate
[(2R)-3-carboxy-2-(5-carboxypentanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(5-carboxypentanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(4-ethoxy-4-oxobutanoyl)oxypropyl]-trimethylazanium
[(2R)-3-carboxy-2-[(3R)-4-carboxy-3-methylbutanoyl]oxypropyl]-trimethylazanium
(4R,6R)-6-[2-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
9-acetoxythymol 3-O-tiglate
A natural product found in Eupatorium cannabinum subspecies asiaticum.
15,16-bisnor-13-oxo-8(17),11Elabdadien-19-oic acid
A natural product found in Metasequoia glyptostroboides.
N-butyl-4-(phenylmethyl)-1-piperidinecarbothioamide
N-(2-methylpropyl)-4-(phenylmethyl)-1-piperidinecarbothioamide
[(4S,5E,9E)-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,7,8,11,11a-octahydrocyclodeca[b]furan-4-yl] acetate
4-[[1-Azepanyl(oxo)methyl]amino]benzoic acid ethyl ester
2-hydroxy-2-phenylacetic acid [(5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester
Ethyl 1-(4-acetyl-2-aminophenyl)piperidine-4-carboxylate
3-carboxy-2-[(4-carboxy-3-methylbutanoyl)oxy]-N,N,N-trimethylpropan-1-aminium
[(2R)-3-carboxy-2-(4-carboxy-3-methylbutanoyl)oxypropyl]-trimethylazanium
6-Benzyloxy-3-methylene-5-(trimethylsilyloxy)-1-hexene
6-Benzyloxymethyl-4-(trimethylsilylmethyl)-5,6-dihydro-2H-pyran
AZATADINE
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,5-dihydroxybenzoic acid
(13Z)-8-hydroxyoctadecene-9,11-diynoic acid
An octadecenediynoic acid that is stearic acid with a cis double bond at position 13, two triple bonds at positions 9 and 11, and a hydroxy group at C-8.
(9Z,11Z,13E,15E)-4-oxooctadecatetraenoic acid
A polyunsaturated fatty acid that is (9Z,11Z,13E,15E)-octadecatetraenoic acid carrying an oxo substituent at position 4.
(5e)-1-(oct-2-en-1-yl)-4-oxo-5-(2-oxoethylidene)cyclopent-2-en-1-yl acetate
3-{3-methoxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}prop-2-en-1-yl acetate
17-ethyl-13,18-dioxatricyclo[12.4.0.0²,¹⁶]octadeca-3,6-dien-12-one
(1r,4r,7r,8s,12s)-1-hydroxy-4-methyl-7-(prop-1-en-2-yl)-3,13-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one
(3as,9r,11as)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate
3-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-4-hydroxybenzoic acid
8a-methyl-3,5-dimethylidene-2-oxo-octahydronaphtho[2,3-b]furan-7-yl acetate
(3as,5ar,6r,9as,9bs)-5a-methyl-3,9-dimethylidene-2-oxo-octahydronaphtho[1,2-b]furan-6-yl acetate
(2e,4e)-5-[(1s,2s,4ar,6r,8r,8as)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid
14-hydroxy-14-(hydroxymethyl)-9-methyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-7-en-6-one
(4s,4as,7s)-4,4a,6-trimethyl-2,8-dioxo-4,7,9,10-tetrahydro-3h-benzo[8]annulen-7-yl acetate
3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)deca-1,3-dien-5-one
5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-6-yl acetate
(2e,4e)-5-[(1r,2r,4as,6s,8s,8ar)-6-hydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]penta-2,4-dienoic acid
(1s)-1-[3-hydroxy-2-(5-methylhex-4-enoyl)phenyl]ethyl acetate
(3as,4r,8as,9ar)-5,8a-dimethyl-3-methylidene-2-oxo-3ah,4h,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-4-yl acetate
(2r)-1-(5,7-dihydroxy-2,2,6-trimethylchromen-8-yl)-2-methylbutan-1-one
(3r,5e)-12-hydroxy-14-methoxy-3-methyl-3,4,7,8,9,10-hexahydro-2-benzoxacyclododecin-1-one
(1r,3r,6r,8r,9r)-4-methyl-9-(4-methyl-2-oxopent-3-en-1-yl)-7-oxatricyclo[4.3.0.0³,⁹]non-4-en-8-yl acetate
2,5-dihydroxy-6-methoxy-3-(7-methyl-3-methylideneoct-6-en-1-yn-1-yl)cyclohex-3-en-1-one
(3ar,4s,6s,7s,7ar)-6-ethenyl-6-methyl-3-methylidene-2-oxo-7-(prop-1-en-2-yl)-tetrahydro-3ah-1-benzofuran-4-yl acetate
(1s,4s,7r,8r,12r)-12-hydroxy-4-methyl-7-(prop-1-en-2-yl)-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one
methyl (2e,6e)-8-(2,5-dihydroxyphenyl)-2,6-dimethylocta-2,6-dienoate
3-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-4-hydroxybenzoic acid
(1as,2s,3r,3ar,7br)-3,3a-dimethyl-6-oxo-5-(propan-2-ylidene)-1ah,2h,3h,4h,7bh-naphtho[1,2-b]oxiren-2-yl acetate
(1r,2s,4s)-1-isopropyl-6-methoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl acetate
(3s,6r)-6-benzyl-5-hydroxy-3-[(2r,3r)-3-hydroxybutan-2-yl]-1-methyl-3,6-dihydropyrazin-2-one
12-hydroxy-14-methoxy-3-methyl-3,4,5,6,7,8-hexahydro-2-benzoxacyclododecin-1-one
(2e)-3,7-dimethylocta-2,6-dien-1-yl 3,4-dihydroxybenzoate
3-(1-hydroxybut-2-en-1-yl)-7,9b-dimethyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
(3r)-3-hydroxy-4-[(1r)-4-hydroxy-7-(3-methylbut-2-en-1-yl)-1,3-dihydro-2-benzofuran-1-yl]butan-2-one
3-methyl-6,9-dimethylidene-2-oxo-octahydro-3h-azuleno[4,5-b]furan-8-yl acetate
[(4z,9s,11s)-11-ethyl-11-methyl-8-methylidene-3-oxobicyclo[7.2.0]undec-4-en-4-yl]methyl acetate
{6-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl}methyl acetate
(3r,3ar,6ar,9ar,9br)-3-hydroxy-6,9-dimethylidene-3-(2-oxopropyl)-octahydroazuleno[4,5-b]furan-2-one
(3ar,4s,5ar,9bs)-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,8h,9bh-naphtho[1,2-b]furan-4-yl acetate
[(4r,4as,7r,7as)-4a,7,7a-trimethyl-5-oxo-4h,6h,7h,8h-indeno[5,6-b]furan-4-yl]methyl acetate
(9z,11s,16r)-octadeca-9,17-dien-12,14-diyne-1,11,16-triol
4-hydroxy-4'-methyl-6,9-dimethylidene-octahydrospiro[azuleno[4,5-b]furan-3,2'-oxetan]-2-one
4,6-dihydroxy-5-methoxy-2-(7-methyl-3-methylideneoct-6-en-1-yn-1-yl)cyclohex-2-en-1-one
(3r,4z,6z,8e)-3-hydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienimidic acid
(3ar,6s,8ar,9ar)-5,8a-dimethyl-3-methylidene-2-oxo-3ah,4h,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-6-yl acetate
{3-methyl-8-methylidene-2-oxo-3h,3ah,4h,4ah,7h,7ah,9h,9ah-azuleno[6,5-b]furan-5-yl}methyl acetate
12-hydroxy-14-methoxy-3-methyl-3,4,7,8,9,10-hexahydro-2-benzoxacyclododecin-1-one
4-hydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-5-(3-methylbut-2-en-1-yl)benzoic acid
12,13-dihydro-12,13-dihydroxybakuchiol
{"Ingredient_id": "HBIN000532","Ingredient_name": "12,13-dihydro-12,13-dihydroxybakuchiol","Alias": "NA","Ingredient_formula": "C18H26O3","Ingredient_Smile": "CC(C)(C(CCC(C)(C=C)C=CC1=CC=C(C=C1)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42392","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
14,18-dihydroxy-13-methoxy-8,11,13-podo-carpatriene
{"Ingredient_id": "HBIN001326","Ingredient_name": "14,18-dihydroxy-13-methoxy-8,11,13-podo-carpatriene","Alias": "NA","Ingredient_formula": "C18H26O3","Ingredient_Smile": "CC1(CCCC2(C1CCC3=C2C=CC(=C3O)OC)C)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5997","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1β,13,14-trihydroxy-8,11,13-podocarpatrien-7-one
{"Ingredient_id": "HBIN002337","Ingredient_name": "1\u03b2,13,14-trihydroxy-8,11,13-podocarpatrien-7-one","Alias": "NA","Ingredient_formula": "C17H22O4","Ingredient_Smile": "CC1(CCC(C2(C1CC(=O)C3=C2C=CC(=C3O)O)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21823","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8β-ethoxy atractylenolide iii
{"Ingredient_id": "HBIN013662","Ingredient_name": "8\u03b2-ethoxy atractylenolide iii","Alias": "NA","Ingredient_formula": "C18H26O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15321","TCMID_id": "7395","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acetylcannabispiranol
{"Ingredient_id": "HBIN014462","Ingredient_name": "acetylcannabispiranol","Alias": "NA","Ingredient_formula": "C17H22O4","Ingredient_Smile": "NA","Ingredient_weight": "290.358","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7221","PubChem_id": "NA","DrugBank_id": "NA"}
