Exact Mass: 190.1209
Exact Mass Matches: 190.1209
Found 500 metabolites which its exact mass value is equals to given mass value 190.1209,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(S)-3-Butyl-1(3H)-isobenzofuranone
Butylphthalide is a member of benzofurans. Butylphthalide has been used in trials studying the prevention of Restenosis. Butylphthalide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. See also: Celery Seed (part of); Angelica sinensis root oil (part of). Potential nutriceutical. 3-Butyl-1(3H)-isobenzofuranone is found in many foods, some of which are dill, parsley, lovage, and wild celery. C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents 3-Butyl-1(3H)-isobenzofuranone is found in dill. Potential nutriceutical. D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D020011 - Protective Agents Butylphthalide (3-n-Butylphthalide) is an active molecule against cerebral ischemia. It was originally isolated from celery species and has been shown to be effective in stroke animal models. Butylphthalide (3-n-Butylphthalide) is an active molecule against cerebral ischemia. It was originally isolated from celery species and has been shown to be effective in stroke animal models.
Ligusticide
Ligusticide, also known as ligustilide, (E)-isomer or (Z)-ligustilide, is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Ligusticide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ligusticide can be found in lovage, which makes ligusticide a potential biomarker for the consumption of this food product. (Z)-ligustilide is a butenolide. It has a role as a metabolite. Ligustilide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available.
5-Methoxytryptamine
5-Methoxytryptamine, also known as mexamine or 5-MT, belongs to the class of organic compounds known as tryptamines and derivatives. Tryptamines and derivatives are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine. It is biosynthesized via the deacetylation of melatonin in the pineal gland. 5-MT acts as a full agonist at the 5-HT1, 5-HT2, 5-HT4, 5-HT6, and 5-HT7 receptors. 5-Methoxytryptamine exists in all living organisms, ranging from bacteria to humans. Its affinity for the 5-HT5A receptor is unknown. It has no affinity for the 5-HT3 receptor and is affinity for the 5-HT1E receptor is very weak in comparison to the other 5-HT1 receptors. 5-MT has been shown to occur naturally in the body in low levels. Serotonin derivative proposed as potentiator for hypnotics and sedatives. [HMDB] KEIO_ID M040
Cytisine
N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BA - Drugs used in nicotine dependence C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 Cytisinicline (Cytisine) is an alkaloid. Cytisinicline (Cytisine) is a partial agonist of α4β2 nAChRs[1], and partial to full agonist at β4 containing receptors and α7 receptors[2]. Has been used medically to help with smoking cessation[3]. Cytisinicline (Cytisine) is an alkaloid. Cytisinicline (Cytisine) is a partial agonist of α4β2 nAChRs[1], and partial to full agonist at β4 containing receptors and α7 receptors[2]. Has been used medically to help with smoking cessation[3]. Cytisinicline (Cytisine) is an alkaloid. Cytisinicline (Cytisine) is a partial agonist of α4β2 nAChRs[1], and partial to full agonist at β4 containing receptors and α7 receptors[2]. Has been used medically to help with smoking cessation[3].
N(omega)-Hydroxyarginine
N-omega-hydroxy-l-arginine, also known as 6-noha, belongs to arginine and derivatives class of compounds. Those are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-omega-hydroxy-l-arginine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). N-omega-hydroxy-l-arginine can be found in a number of food items such as chinese cinnamon, chervil, sugar apple, and safflower, which makes N-omega-hydroxy-l-arginine a potential biomarker for the consumption of these food products. N(omega)-Hydroxyarginine is a product of the arginine-nitric oxide pathway, and is the first intermediate in the process catalyzed by nitric oxide synthase (NOS) (EC 1.14.13.99). NOS is a heme protein that catalyzes the oxygenation of L-arginine in the presence of NADPH to form nitric oxide and citrulline. N(omega)-Hydroxyarginine appears to interfere with cell proliferation/cell growth by inhibiting arginase, a binuclear Mn(2+) metalloenzyme that catalyzes the hydrolysis of L-arginine to L-ornithine and urea (EC 3.5.3.1). Arginase has 6R-tetrahydrobiopterin (H4B) as an enzyme-bound cofactor (PMID: 11259671, 11258880, 14504282, 9735327).
N-Methylserotonin
N-methylserotonin is a product of the serotonin-degradative pathway, found in urine specimens of patients with psychiatric disorders (PubMed ID 8747157 ).
Propyl cinnamate
Propyl cinnamate is a flavouring ingredient. Flavouring ingredient
L-erythro-4-Hydroxyarginine
L-erythro-4-Hydroxyarginine is found in pulses. L-erythro-4-Hydroxyarginine occurs in the sea-cucumber (Polycheira rufescens) and in lentil seeds (Lens culinaris Occurs in the sea-cucumber (Polycheira rufescens) and in lentil seeds (Lens culinaris). L-erythro-4-Hydroxyarginine is found in pulses.
2-Methyl-5-hydroxytryptamine
2-Methyl-5-HT (2-Methyl-5-hydroxytryptamine) is a potent and selective 5-HT3 receptor agonist. 2-Methyl-5-HT is shown to display anti-depressive-like effects[1].
beta-Damascenone
Beta-damascenone is a cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group. It has a role as a fragrance, a volatile oil component and a plant metabolite. It is an enone, an apo carotenoid monoterpenoid and a cyclic monoterpene ketone. Damascenone is a natural product found in Vitis rotundifolia, Vitis labrusca, and other organisms with data available. 1-[2,6,6-Trimethyl-1,3-cyclohexadien-1-yl]-2-buten-1-one is a metabolite found in or produced by Saccharomyces cerevisiae. trans-beta-damascenone is a metabolite found in or produced by Saccharomyces cerevisiae. Damascenones are a series of closely related chemical compounds that are components of a variety of essential oils. The damascenones belong to a family of chemicals known as rose ketones, which also includes damascones and ionones. beta-Damascenone is a major contributor to the aroma of roses, despite its very low concentration, and is an important fragrance chemical used in perfumery. [Wikipedia] From Rosa damascena and many other sources. 3,5,8-Megastigmatrien-7-one is found in many foods, some of which are herbs and spices, tea, common grape, and green vegetables. A cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group. Damascenone ((E/Z)-Damascenone) is an active compound of?Epipremnum pinnatum with anti-inflammatory activity[1]. Damascenone is a mixture complex of?E-isomer-Damascenone and Z-isomer Damascenone. Damascenone ((E/Z)-Damascenone) is an active compound of?Epipremnum pinnatum with anti-inflammatory activity[1]. Damascenone is a mixture complex of?E-isomer-Damascenone and Z-isomer Damascenone.
Ligustilide
Constituent of Angelica subspecies Ligustilide is found in wild celery, lovage, and herbs and spices. Ligustilide is found in herbs and spices. Ligustilide is a constituent of Angelica specie
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one is found in fruits. 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one is from quince (Cydonia oblonga). From quince (Cydonia oblonga). 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one is found in quince and fruits.
3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone
3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone is found in green vegetables. 3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone is a odorous constituent of celer Odorous constituent of celery. 3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone is found in wild celery and green vegetables.
(R)-3,7-Dimethyl-5-indanecarboxylic acid
(R)-3,7-Dimethyl-5-indanecarboxylic acid is a constituent of Curcuma zedoaria (zedoary). Constituent of Curcuma zedoaria (zedoary).
Megastigmatrienone
Megastigmatrienone belongs to the family of Ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be H).
xi-3-(4-Isopropylphenyl)-2-methylpropanal
3-(4-Isopropylphenyl)-2-methylpropanal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]").
dehydro-beta-Ionone
dehydro-beta-Ionone belongs to the family of Enones. These are compounds containing the enone functional group, with the structure RC(=O)CR
Benzyl trans-2-methyl-2-butenoate
Benzyl trans-2-methyl-2-butenoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1-(4-Methoxyphenyl)-1-penten-3-one
1-(4-Methoxyphenyl)-1-penten-3-one is a flavouring ingredien Flavouring ingredient
(+/-)-Isobutyl 3-methylthiobutyrate
(+/-)-Isobutyl 3-methylthiobutyrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
3-Mercaptoheptyl acetate
3-Mercaptoheptyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
(S)-3-Methylthiohexyl acetate
(S)-3-Methylthiohexyl acetate is found in fruits. Identified in volatile oil of Passiflora edulis. (S)-3-Methylthiohexyl acetate is a flavouring ingredient. Identified in volatile oil of Passiflora edulis. Flavouring ingredient. (S)-3-Methylthiohexyl acetate is found in fruits.
Prenyl benzoate
Prenyl benzoate belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Prenyl benzoate is a balsam, chocolate, and fruity tasting compound. Prenyl benzoate is used as a food additive (EAFUS: Everything Added to Food in the United States).
2-(3-Phenylpropyl)tetrahydrofuran
2-(3-Phenylpropyl)tetrahydrofuran is a flavouring ingredien Flavouring ingredient
Benzyl tiglate
Benzyl tiglate is found in cloves. Benzyl tiglate is a flavouring agent. Flavouring agent. Benzyl tiglate is found in cloves.
Isopropyl cinnamate
Isopropyl cinnamate is a flavouring ingredient. Flavouring ingredient
Cinnamyl propionate
Cinnamyl propionate is used in fruit food flavouring. It is used in fruit food flavouring
1H-Indol-5-ol, 3-(2-amino-1-methylethyl)-
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists
Indantadol
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
(2S)-5-(Diaminomethylideneamino)-2-(hydroxyamino)pentanoic Acid
Cytisinicline
Cytisine is an organic heterotricyclic compound that is the toxic principle in Laburnum seeds and is found in many members of the Fabaceae (legume, pea or bean) family. An acetylcholine agonist, it is widely used throughout Eastern Europe as an aid to giving up smoking. It has a role as a nicotinic acetylcholine receptor agonist, a phytotoxin and a plant metabolite. It is an alkaloid, an organic heterotricyclic compound, a secondary amino compound, a lactam and a bridged compound. Cytisine is an alkaloid naturally derived from the Fabaceae family of plants including the genera Laburnum and Cytisus. Recent studies have shown it to be a more effective and significantly more affordable smoking cessation treatment than nicotine replacement therapy. Also known as baptitoxine or sophorine, cytisine has been used as a smoking cessation treatment since 1964, and is relatively unknown in regions outside of central and Eastern Europe. Cytisine is a partial nicotinic acetylcholine agonist with a half-life of 4.8 hours. Recent Phase III clinical trials using Tabex (a brand of Cytisine marketed by Sopharma AD) have shown similar efficacy to varenicline, but at a fraction of the cost. Cytisine is a natural product found in Viscum cruciatum, Thermopsis chinensis, and other organisms with data available. See also: Cytisus scoparius flowering top (part of); Thermopsis lanceolata whole (part of). An organic heterotricyclic compound that is the toxic principle in Laburnum seeds and is found in many members of the Fabaceae (legume, pea or bean) family. An acetylcholine agonist, it is widely used throughout Eastern Europe as an aid to giving up smoking. N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BA - Drugs used in nicotine dependence C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist Cytisinicline (Cytisine) is an alkaloid. Cytisinicline (Cytisine) is a partial agonist of α4β2 nAChRs[1], and partial to full agonist at β4 containing receptors and α7 receptors[2]. Has been used medically to help with smoking cessation[3]. Cytisinicline (Cytisine) is an alkaloid. Cytisinicline (Cytisine) is a partial agonist of α4β2 nAChRs[1], and partial to full agonist at β4 containing receptors and α7 receptors[2]. Has been used medically to help with smoking cessation[3]. Cytisinicline (Cytisine) is an alkaloid. Cytisinicline (Cytisine) is a partial agonist of α4β2 nAChRs[1], and partial to full agonist at β4 containing receptors and α7 receptors[2]. Has been used medically to help with smoking cessation[3].
3,4-Dihydro-5-hydroxy-4,7-dimethyl-1(2H)-naphthalenone
N-Methylserotonin
A member of the class of tryptamines that is serotonin in which one of the hydrogens attached to the primary amino group is replaced by a methyl group. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053
5-Methoxytryptamine
A member of the class of tryptamines that is the methyl ether derivative of serotonin.
1-hydroxy-2-hydroxymethyl-3-pent-1,3-dienylbenzene
2-hydroxy-5-methyl-5,8-epoxy-6,7,8,9-tetrahydro-5H-benzo[a]cycloheptene|bruguierol A
4-hydroxy-4,6-dimethyl-1-tetralone|4-hydroxy-4,7-dimethyl-1-tetralone
2-Decene-4,6-diyn-1-ol-Ac|Lachnophyllol acetate|Lachnophyllolacetat
3,4-Dihydro-4-hydroxy-3,6-dimethyl-1(2H)-naphthalenone
3,4-Dihydro-4-hydroxy-4,7-dimethyl-1(2H)-naphthalenone
3,4-Dihydro-4-hydroxy-2,7-dimethyl-1(2H)-naphthalenone
3-buta-1,3-dienyl-2,4,4-trimethylcyclohex-2-en-1-one
(2,4-diethoxytetrahydrofuran-3-yl)methanol|brachystemol A
(4,5-diethoxytetrahydrofuran-3-yl)methanol|brachystemol B
deca-4,6-diyn-2(Z)-enoic acid ethyl ester|lachnophyllum ethyl ester
10-acetoxy-deca-2t,4t,8t-trien-6-yne|2,6,8-Decatrien-4-yn-1-ol-Ac|Decatrien-(2,6,8)-in-(4)-ol-(1)-acetat
(5-Isopropyl-2-methyl-phenyl)-aceton|(5-isopropyl-2-methyl-phenyl)-acetone|Methyl-2-methyl-5-isopropylbenzylketon
Cytisin
N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BA - Drugs used in nicotine dependence C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2241 Cytisinicline (Cytisine) is an alkaloid. Cytisinicline (Cytisine) is a partial agonist of α4β2 nAChRs[1], and partial to full agonist at β4 containing receptors and α7 receptors[2]. Has been used medically to help with smoking cessation[3]. Cytisinicline (Cytisine) is an alkaloid. Cytisinicline (Cytisine) is a partial agonist of α4β2 nAChRs[1], and partial to full agonist at β4 containing receptors and α7 receptors[2]. Has been used medically to help with smoking cessation[3]. Cytisinicline (Cytisine) is an alkaloid. Cytisinicline (Cytisine) is a partial agonist of α4β2 nAChRs[1], and partial to full agonist at β4 containing receptors and α7 receptors[2]. Has been used medically to help with smoking cessation[3].
4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-3-en-2-one
Damascenone
Damascenone ((E/Z)-Damascenone) is an active compound of?Epipremnum pinnatum with anti-inflammatory activity[1]. Damascenone is a mixture complex of?E-isomer-Damascenone and Z-isomer Damascenone. Damascenone ((E/Z)-Damascenone) is an active compound of?Epipremnum pinnatum with anti-inflammatory activity[1]. Damascenone is a mixture complex of?E-isomer-Damascenone and Z-isomer Damascenone.
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Cyclamen aldehyde
It is used as a food additive. Cyclamen aldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=103-95-7 (retrieved 2024-07-09) (CAS RN: 103-95-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
1H-Benzimidazole-2-methanol,1-(1-methylethyl)-(9CI)
1H-Benzimidazole-2-methanol,alpha-ethyl-alpha-methyl-,(alphaR)-(9CI)
Pyrrolo[1,2-a]quinoxalin-2-ol,1,2,3,3a,4,5-hexahydro-,(2R,3aR)- (9CI)
Pyrrolo[1,2-a]quinoxalin-2-ol,1,2,3,3a,4,5-hexahydro-,(2S,3aR)- (9CI)
Pyrrolo[1,2-a]pyrazine, 2-acetyl-1-ethylidene-1,2,3,4-tetrahydro- (9CI)
1-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-, Methyl ester
2-[1,3-bis(dimethylamino)-2-propenylidene]malononitrile
3-Isopropylbenzeneboronic acid ethylene glycol cyclic ester
7-amino-4,4-dimethyl-3,4-dihydroquinolin-2(1H)-one
1-(7-amino-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
1,2,3,4-TETRAHYDRO-NAPHTHALENE-1-CARBOTHIOIC ACID HYDRAZIDE
6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBALDEHYDE
5-HYDROXYMETHYL-2-METHYL-4-TRIFLUOROMETHYL-1,3-THIAZOLE
1-(3-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
1-(4-hydroxy-7-methyl-2,3-dihydro-1H-inden-5-yl)ethanone
1H-SPIRO[FURO[3,4-C]PYRIDINE-3,4-PIPERIDINE] DIHYDROCHLORIDE
4-METHOXY-5,6,7,8-TETRAHYDRO-1-NAPHTHALENE-CARBALDEHYDE
Quinoxaline, 1-acetyl-1,2,3,4-tetrahydro-4-methyl- (9CI)
3-(4,4-DIMETHYL-4,5-DIHYDRO-1,3-OXAZOL-2-YL)-4-METHYLPYRIDINE
6-METHOXY-2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE
Cyclopropanecarboxylicacid, 2-phenyl-, ethyl ester, (1R,2R)-rel-
6-(TERT-BUTYL) 3-METHYL 2-AMINO-4,7-DIHYDRO-THIENO[2,3-C]PYRIDINE-3,6(5H)-DICARBOXYLATE
1H-Benzimidazole-2-methanol,1-ethyl-alpha-methyl-(9CI)
2-(4,5-DIHYDRO-4,4-DIMETHYLOXAZOL-2-YL)BENZENAMINE
1H-Benzimidazole,5-methoxy-2-(1-methylethyl)-(9CI)
1H-Benzimidazole-2-methanol,alpha-(1-methylethyl)-(9CI)
4,6-DIMETHYL-2-OXO-1-PROPYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
Pyrrolo[1,2-a]pyrazine-8-carboxaldehyde, 1-ethyl-3,4-dihydro-6-methyl- (9CI)
2-[(4S)-4,5-dihydro-4-(1-Methylethyl)-2-oxazolyl]- yridine
1-(1(R)-ALPHA-METHYLBENZYL)-AZIRIDINE-2(S)-CARBOXAMIDE
Pyrazino[2,1-c][1,4]benzoxazine,1,2,3,4,4a,5-hexahydro-(9Cl)
Cyclopropyl-Methyl-(S)-piperidin-3-yl-aMine hydrochloride
ethyl (1R,3S,4S)-3-fluoro-4-hydroxycyclohexane-1-carboxylate
(1R,2R)-rel-(-)-2-(2,3-Dihydro-4-benzofuranyl)cyclopropanemethanol
1H-Inden-1-one,2,3-dihydro-5-(1-methylethoxy)-(9CI)
5-Amino-3-cyclopentyl-1-methyl-1H-pyrazole-4-carbonitrile
(5S)-5-amino-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
1H-Imidazole,4,5-dihydro-4-[(4-methylphenoxy)methyl]-(9CI)
1H-Benzimidazole-2-methanol,alpha,alpha,1-trimethyl-(9CI)
1-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
1-(4-FLUORO-PHENYL)-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE
1H-Benzimidazole-2-methanol,alpha,1,5-trimethyl-(9CI)
1-amino-3-Methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one
3-(2-aminopropyl)-1H-indol-5-ol
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists
2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2Z)-
6,7-diepicastanospermine
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors
(3R)-3,9-dihydroxynonanoic acid
A dihydroxy monocarboxylic acid that is 9-hydroxynonanoic acid in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group.
(3R,8R)-3,8-dihydroxynonanoic acid
An (omega-1)-hydroxy fatty acid that is (8R)-8-hydroxynonanoic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group.
[(2R)-3-carboxy-2-formyloxypropyl]-dimethyl-(trideuteriomethyl)azanium
[(2R)-3-carboxy-2-formyloxypropyl]-trimethylazanium
(4S,5S)-4,5-Bis(methoxymethyl)-2,2-dimethyl-1,3-dioxolane
2-Hydroxymethyl-2-methylpropane-1,3diol dimethyl ether monoacetate
2,3,3a,6,7,8a-Hexahydro-3a,8a-methano-1H-dicyclopenta[b,e]pyran-8(5H)-one
(8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol
Ligusticide
(Z)-ligustilide is a butenolide. It has a role as a metabolite. Ligustilide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. A natural product found in Ligusticum porteri.
Precocene I
A member of the class of chromenes that is 2H-chromene substituted by a methoxy group at position 7 and two methyl groups at position 2.
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one
gamma-Hydroxyarginine
A hydroxyarginine in which the hydroxy group is located at position 4.
3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone
(3S)-3-hydroxy-L-arginine
A hydroxy-L-arginine in which the hydroxy group is located at position 3 (the 3S-diastereomer).
N(5)-[amino(hydroxyimino)methyl]-L-ornithine zwitterion
Zwitterionic form of N(5)-[amino(hydroxyimino)methyl]-L-ornithine having an anionic carboxy group and a protonated alpha-amino group.
N(5)-[(Z)-amino(hydroxyimino)methyl]-L-ornithine
An N(5)-[amino(hydroxyimino)methyl]-L-ornithine in which the double bond has Z-configuration.
(3s,4s)-4-hydroxy-3,6-dimethyl-3,4-dihydro-2h-naphthalen-1-one
(4r)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2h-naphthalen-1-one
(9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one
3'-ethyl-6,7-dihydrospiro[2-benzofuran-1,1'-cyclopropan]-3-one
1-(2-hydroxy-5-methylphenyl)-2-penten-1-one
{"Ingredient_id": "HBIN000869","Ingredient_name": "1-(2-hydroxy-5-methylphenyl)-2-penten-1-one","Alias": "NA","Ingredient_formula": "C12H14O2","Ingredient_Smile": "CCC=CC(=O)C1=C(C=CC(=C1)C)O","Ingredient_weight": "190.24 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9701","PubChem_id": "5373750","DrugBank_id": "NA"}
(3s)-butylphthalide
{"Ingredient_id": "HBIN009718","Ingredient_name": "(3s)-butylphthalide","Alias": "(3s)-butylphthalide","Ingredient_formula": "C12H14O2","Ingredient_Smile": "CCCCC1C2=CC=CC=C2C(=O)O1","Ingredient_weight": "190.24 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9941;15811","PubChem_id": "11116832","DrugBank_id": "NA"}
β-damascenone
{"Ingredient_id": "HBIN018046","Ingredient_name": "\u03b2-damascenone","Alias": "NA","Ingredient_formula": "C13H18O","Ingredient_Smile": "CC=CC(=O)C1=C(C=CCC1(C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37226","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Bicyclo[6.3.0]undeca-1,7-dien-3-one, 5,5-dimethyl-
{"Ingredient_id": "HBIN018462","Ingredient_name": "Bicyclo[6.3.0]undeca-1,7-dien-3-one, 5,5-dimethyl-","Alias": "(3aZ,9Z)-7,7-dimethyl-2,3,6,8-tetrahydro-1H-cyclopenta[8]annulen-5-one","Ingredient_formula": "C13H18O","Ingredient_Smile": "CC1(CC=C2CCCC2=CC(=O)C1)C","Ingredient_weight": "190.28 g/mol","OB_score": "46.50396681","CAS_id": "NA","SymMap_id": "SMIT13928","TCMID_id": "NA","TCMSP_id": "MOL013249","TCM_ID_id": "NA","PubChem_id": "5372011","DrugBank_id": "NA"}
