Exact Mass: 198.1255878
Exact Mass Matches: 198.1255878
Found 500 metabolites which its exact mass value is equals to given mass value 198.1255878,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Guaiazulene
Guaiazulene is a sesquiterpene. It derives from a hydride of a guaiane. Guaiazulene is a natural product found in Mikania cordifolia, Santolina corsica, and other organisms with data available. obtained from essential oils, e.g. chamomile oil. 7-Isopropyl-1,4-dimethylazulene is found in many foods, some of which are fats and oils, fig, german camomile, and tea. 7-Isopropyl-1,4-dimethylazulene is found in fats and oils. 7-Isopropyl-1,4-dimethylazulene is obtained from essential oils, e.g. chamomile oil. S - Sensory organs > S01 - Ophthalmologicals Guaiazulene is present in several essential oils of medicinal and aromatic plants, with antioxidant activity. Guaiazulene has in vitro cytotoxic activity against neuron and N2a neuroblastom (N2a-NB) cells[1][2]. Guaiazulene. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=489-84-9 (retrieved 2024-11-06) (CAS RN: 489-84-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Tacrine
Tacrine is only found in individuals that have used or taken this drug. It is a centerally active cholinesterase inhibitor that has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimers disease and other central nervous system disorders. [PubChem]The mechanism of tacrine is not fully known, but it is suggested that the drug is an anticholinesterase agent which reversibly binds with and inactivates cholinesterases. This inhibits the hydrolysis of acetylcholine released from functioning cholinergic neurons, thus leading to an accumulation of acetylcholine at cholinergic synapses. The result is a prolonged effect of acetylcholine. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors KEIO_ID A123
4,4'-Methylenedianiline
4,4’-Methylenedianiline (MDA) is an industrial chemical that is produced and used industrially as a precursor to polyamides, epoxy resins, and polyurethane foams (PMID: 20621954). It is a primary aromatic amine, belonging to the family of compounds known as Diphenylmethanes. Diphenylmethanes are compounds consisting of methane with two of the hydrogen atoms replaced by phenyl groups. MDA is used mainly as a precursor to 4,4 ́-methylene diphenyl diisocyanate (MDI), which is a precursor to many polyurethane foams. To generate MDI, which is a highly reactive isocyanate, MDA is treated with phosgene. Workers exposed to MDI may develop sensitization, leading to occupational asthma. MDI is metabolized in the body and secreted in the urine as MDA, Therefore MDA is a urinary biomarker of MDI exposure. On its own, MDA is a known animal carcinogen, and human hepatotoxin. MDA produces genotoxic effects by forming DNA adducts in the liver and inducing DNA damage to hepatocytes (PMID: 32038824). The Occupational Safety and Health Administration has set a permissible exposure limit at 0.01 ppm over an eight-hour time-weighted average, and a short-term exposure limit at 0.10 ppm. D009676 - Noxae > D002273 - Carcinogens
2-Amino-3-methylimidazo[4,5-f]quinoline
2-Amino-3-methylimidazo[4,5-f]quinoline is found in animal foods. 2-Amino-3-methylimidazo[4,5-f]quinoline is isolated from cooked foods, e.g. sardines, beef extrac Isolated from cooked foods, e.g. sardines, beef extract. 2-Amino-3-methylimidazo[4,5-f]quinoline is found in fishes and animal foods. CONFIDENCE standard compound; INTERNAL_ID 5
Slaframine
An indolizidine alkaloid that is octahydroindolizine substituted by an amino group at position 6 and an acetyloxy group at position 1.
2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole
2-Amino-6-methyldipyrido[1,2-a:3,2-d]imidazole is a powerful mutagen presumed present in cooked food D009676 - Noxae > D009153 - Mutagens
Metharbital
Metharbital is only found in individuals that have used or taken this drug. It was patented in 1905 by Emil Fischer working for Merck. It was marketed as Gemonil by Abbott Laboratories. It is a barbiturate anticonvulsant, used in the treatment of epilepsy. It has similar properties to phenobarbital. Metharbital binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Cadalene
Cadalene is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, cadalene is considered to be an isoprenoid lipid molecule. Cadalene can be found in a number of food items such as cloves, sugar apple, rosemary, and fig, which makes cadalene a potential biomarker for the consumption of these food products. Cadalene can be found primarily in saliva and urine. Cadalene exists in all eukaryotes, ranging from yeast to humans. Cadalene or cadalin (4-isopropyl-1,6-dimethylnaphthalene) is a polycyclic aromatic hydrocarbon with a chemical formula C15H18 and a cadinane skeleton. It is derived from generic sesquiterpenes, and ubiquitous in essential oils of many higher plants . Cadalene (4-isopropyl-1,6-dimethylnaphthalene) is a polycyclic aromatic hydrocarbon with a chemical formula C15H18 and a cadinane skeleton. It is derived from generic sesquiterpenes, and ubiquitous in essential oils of many higher plants. Cadalene, together with retene, simonellite and ip-iHMN, is a biomarker of higher plants, which makes it useful for paleobotanic analysis of rock sediments. The ratio of retene to cadalene in sediments can reveal the ratio of the genus Pinaceae in the biosphere. (Wikipedia)
Dibenzyl ether
Dibenzyl ether, also known as benzyl oxide or fema 2371, belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR (R = alkyl, aryl; R=benzene). Dibenzyl ether is a sweet, almond, and cherry tasting compound. Dibenzyl ether has been detected, but not quantified, in dills. This could make dibenzyl ether a potential biomarker for the consumption of these foods. Flavouring ingredient. Dibenzyl ether is found in dill.
1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol
1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is classified as a member of the tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is considered to be a practically insoluble (in water) and a very weak acidic compound. 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol can be found in feces.
2,2'-Azobis(2-amidinopropane)
D009676 - Noxae > D009153 - Mutagens D009676 - Noxae > D016877 - Oxidants
1-Phenyl-2-(pyridin-2-yl)ethanamine
(Rac)-Lanicemine ((Rac)-AZD6765) is the racemate of Lanicemine. Lanicemine (AZD6765) is a low-trapping NMDA channel blocker (Ki of 0.56-2.1?μM for NMDA receptor; IC50s of 4-7?μM and 6.4 μM in CHO and Xenopus oocyte cells, respectively). Antidepressant effects[1].
Chamaviolin
Chamaviolin is a member of the class of compounds known as guaianes. Guaianes are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively. Chamaviolin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Chamaviolin can be found in german camomile, which makes chamaviolin a potential biomarker for the consumption of this food product.
hydroxydihydrobovolide
2(5H)-Furanone, 5-hydroxy-3,4-dimethyl-5-pentyl- is a natural product found in Phleum pratense, Gaeumannomyces, and Epichloe typhina with data available.
(2E,8Z,10E)-2,8,10-Pentadecatriene-4,6-diyne|2-trans-8-cis-10-trans-2,8,10-pentadecatriene-4,6-diyne|pentadeca-trans-2,cis-8,trans-10-triene-4,6-diyne
(E)-form-6-Tetradecene-8,10,12-triyn-3-one|6-Tetradecene-8,10,12-triyn-3-one|Artemisiaketon|Tetradec-6t-en-8,10,12-triin-3-on|tetradec-6t-ene-8,10,12-triyn-3-one|trans-Tetradecen-(8)-triin-(2.4.6)-on-(12)
9-(1,1-dimethylprop-2-enyloxy)non-trans-7-ene-1,3,5-triyne
(4S,5S)-5-(4-methyl-3-pentenyl)-4-hydroxy-5-methyldihydrofuran-2-one
4,6-Tetradecadiene-8,10,12-triyn-1-ol|all-trans-1-Hydroxy-tetradecadien-(4.6)-triin-(8.10.12)|tetradeca-4,6-dien-8,10,12-triyne-1-ol|tetradeca-4,6-diene-8,10,12-triyn-1-ol|tetradeca-4t,6t-diene-8,10,12-triyn-1-ol
PROBARBITAL
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives
(+)-(2E,6S)-2,6-dimethyl-6-hydroxyocta-2,7-dienoic acid methyl ester|(2E,6S)-2,6-dimethyl-6-hydroxy-2,7-octadienoic acid methyl ester|(6S)-2-trans-2,6-dimethyl-6-hydroxy-2,7-octadienoic acid methyl ester|methyl (6S)-2-trans-6-hydroxy-2,6-dimethyl-2,7-octadienoate
C9H14N2O3_(3S,8aS)-3-[(1R)-1-Hydroxyethyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Tacrine
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6299; ORIGINAL_PRECURSOR_SCAN_NO 6297 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6327; ORIGINAL_PRECURSOR_SCAN_NO 6325 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6332; ORIGINAL_PRECURSOR_SCAN_NO 6331 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6338; ORIGINAL_PRECURSOR_SCAN_NO 6337 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6352; ORIGINAL_PRECURSOR_SCAN_NO 6351 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6355; ORIGINAL_PRECURSOR_SCAN_NO 6351
2-Amino-3-methylimidazo(4,5-F)quinoline
CONFIDENCE standard compound; INTERNAL_ID 2437
Terbuthylazine-TP CSCD648241 (LM6)
CONFIDENCE standard compound; UCHEM_ID 4175
metharbital
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
4-METHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID ALLYL ESTER
5-Amino-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile
1-Methyl-1,2,3,4-tetrahydroquinolin-7-amine hydrochloride
4-(Ethenyloxy)-2,2,6,6-tetramethyl-1-piperidinyloxy
C11H20NO2 (198.14939600000002)
1H-Pyrazole-4-carbonitrile,5-amino-3-methyl-1-phenyl-
1-Cyclopentene-1-carboxylicacid,2-ethyl-4-hydroxy-3-methyl-,ethylester(9CI)
1H-Benzimidazole,2-(2-cyclopenten-1-ylmethyl)-(9CI)
2-[5-(cyanomethyl)-1,3,5-trimethylcyclohex-3-en-1-yl]acetonitrile
Pyrrolo[1,2-a]pyrazine, 2-acetyloctahydro-6-methyl- (7CI)
tert-butyl 2,6-diazabicyclo[2.2.1]heptane-2-carboxylate
(S)-(-)-1-METHYL-2-(1-PIPERIDINOMETHYL)PYRROLIDINE
Silane, dicyclopentylmethoxy- (9CI)
C11H22OSi (198.14398419999998)
4,4,5,5-Tetramethyl-2-(tetrahydro-3-furanyl)-1,3,2-dioxaborolane
4-(TERT-BUTYL)-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-AMINE
(Z)-2-(2-ETHOXYVINYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
TERT-BUTYL 4-(HYDROXYMETHYL)-1H-IMIDAZOLE-1-CARBOXYLATE
tert-Butyl (1R,5S,6r)-3-azabicyclo[3.1.0]hexan-6-ylcarbamate
tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
4-AMINOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID ALLYL ESTER
tert-Butyl 1,6-diazaspiro[3.3]heptane-1-carboxylate
tert-butyl-dimethyl-thiophen-2-ylsilane
C10H18SSi (198.08984279999999)
2-({6-[(2-HYDROXYETHYL)AMINO]PYRIDAZIN-3-YL}AMINO)ETHAN-1-OL
2,3-Dihydro-5-methyl-1H-cyclopenta[b]quinolin-9-amine
1-Cyclopentene-1-carboxylicacid,2-(2-acetylhydrazino)-,methylester(9CI)
(R)-(+)-2-(2-CARBOMETHOXYETHYL)-2-METHYLCYCLOHEXANONE
tert-butyl 1-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate
2,3-Dihydro-7-methyl-1H-cyclopenta[b]quinolin-9-amine
ethyl 2-[3-(1-aminoethyl)-1H-1,2,4-triazol-5-yl]acetate
tert-Butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-carboxylate
(S,S)-(+)-N,N-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINO-COBALT(II)
1,4,4-trimethyl-2,3-diazabicyclo[3.2.2]non-2-ene 2,3-dioxide
1-(4-Pyridinyl)cyclopentanamine hydrochloride (1:1)
methyl octahydro-1H-pyrido[1,2-a]pyrazine-7-carboxylate
6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione
Pyrimido[1,2-a]benzimidazol-2-amine, 4-methyl- (9CI)
N-(4-CHLORO-PHENYL)-N,N-DIMETHYL-ETHANE-1,2-DIAMINE
tert-butyl(1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride
4-Pyridinecarbonitrile,1,2,3,6-tetrahydro-1-(phenylmethyl)-
methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate
5-AMINO-1-(3-METHYLPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
2-(dimethylamino)ethyl 4-amino-1H-imidazole-5-carboxylate
3-Azabicyclo[3.1.0]hexane-1-carbonitrile, 3-(phenylmethyl)-
1-(1,1-difluoroethyl)-3-(1,1-dimethylethyl)- Benzene
1-(1,1-difluoroethyl)-4-(1,1-dimethylethyl)- Benzene
(S)-(3-aMinopyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)Methanone
Spiro[3.3]heptane-2,6-dicarboxylic acid monomethyl ester
2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
3,6-Diazaspiro[3.3]heptane-6-carboxylic acid tert-butyl ester hemioxylate
5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
(1R,5S,6s)-tert-butyl 6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate
3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-amino-,1,1-dimethylethyl ester
3-Indolizinecarboxylicacid,6-aminooctahydro-5-oxo-(9CI)
2-Phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
1H-Benzimidazole,2-(1H-imidazol-1-yl)-1-methyl-(9CI)
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-
tert-butyl N-{3-azabicyclo[3.1.0]hexan-6-yl}carbamate
Mebicar
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C78272 - Agent Affecting Nervous System Tetramethylglycerol (Tetramethylglycoluril) is a small molecule that acts on GABA Receptor, with anti-anxiety activity[1].
2-[1-(Diaminomethylidenehydrazinylidene)butan-2-ylideneamino]guanidine
N-[1-Carboxy-2-(1H-imidazole-5-yl)ethyl]trimethylaminium
C9H16N3O2+ (198.12424560000002)
4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one
Azulol
S - Sensory organs > S01 - Ophthalmologicals Guaiazulene is present in several essential oils of medicinal and aromatic plants, with antioxidant activity. Guaiazulene has in vitro cytotoxic activity against neuron and N2a neuroblastom (N2a-NB) cells[1][2]. Guaiazulene is present in several essential oils of medicinal and aromatic plants, with antioxidant activity. Guaiazulene has in vitro cytotoxic activity against neuron and N2a neuroblastom (N2a-NB) cells[1][2].
1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol
1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is classified as a member of the tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is considered to be a practically insoluble (in water) and a very weak acidic compound. 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol can be found in feces.
Ecgononium methyl ester(1+)
An organic cation that is the conjugate acid of ecgonone methyl ester arising from protonation of the tertiary amino group; major species at pH 7.3.
1-Methyl-2-trimethylsilyloxycyclohexene
C11H22OSi (198.14398419999998)
3-(Trimethylsilyl)methyl-1-hepten-4-one
C11H22OSi (198.14398419999998)
3,3-Dimethyl-2-trimethylsiloxyhexa-1,5-diene
C11H22OSi (198.14398419999998)
2-Methyl-3-(trimethylsilyloxy)hepta-2,4-diene
C11H22OSi (198.14398419999998)
2-Methyl-4-(trimethylsilylmethyl)-5-hexen-3-one
C11H22OSi (198.14398419999998)
6a-Methoxyoctahydro-2H-pentaleno[1,6-bc]furan-4-methanol
2-Amino-6-methyldipyrido[1,2-a:3,2-d]imidazole
D009676 - Noxae > D009153 - Mutagens
7-Deoxyloganetic acid
An iridoid monoterpenoid that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1 and 7 by hydroxy and methyl groups respectively; the aglycone of 7-deoxyloganic acid.
cis-5,6-Dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid
Dibenzyl ether
A benzyl ether in which the oxygen atom is connected to two benzyl groups.
2,2-Azobis(2-amidinopropane)
D009676 - Noxae > D009153 - Mutagens D009676 - Noxae > D016877 - Oxidants
5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid
N(alpha),N(alpha),N(alpha)-trimethyl-L-histidinium(1+)
C9H16N3O2 (198.12424560000002)
A quaternary ammonium ion obtained by the protonation of the carboxy function of N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine.
7,8-dihydroxy-10-methyl-7,8,9,10-tetrahydrooxecin-2-one
(5r)-5-[(2r,5s)-5-[(1s)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one
4-hydroxy-10-methyl-4,8,9,10-tetrahydro-3h-oxecine-2,7-dione
(5r)-5-[(2r,5s)-5-[(1r)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one
(4s,5r)-4-hydroxy-5-methyl-5-(4-methylpent-3-en-1-yl)oxolan-2-one
4-hydroxy-6-[(2s,3r)-3-hydroxybutan-2-yl]-3-methylpyran-2-one
(2z,3r,4s,5z)-2-[(2e)-but-2-en-1-ylidene]hept-5-ene-1,3,4-triol
(2e,5r)-5-hydroxy-3,6-dimethylhepta-2,6-dien-1-yl acetate
5-hydroxy-6-(1-methoxyethyl)-1-methyl-3-methylidene-6h-pyrazin-2-one
(1r,3s,7s,8z,10s)-7-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one
5-[5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]oxolan-2-one
methyl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate
1-(4-hydroxy-3-methoxyphenyl)propan-1,2-diol
{"Ingredient_id": "HBIN001489","Ingredient_name": "1-(4-hydroxy-3-methoxyphenyl)propan-1,2-diol","Alias": "NA","Ingredient_formula": "C10H14O4","Ingredient_Smile": "CC(C(C1=CC(=C(C=C1)O)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15883","TCMID_id": "10451","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,6-Dimethyl-4-(1-methylethyl)-1,2,3,4-tetrahydro naphthalene
{"Ingredient_id": "HBIN001877","Ingredient_name": "1,6-Dimethyl-4-(1-methylethyl)-1,2,3,4-tetrahydro naphthalene","Alias": "NA","Ingredient_formula": "C15H18","Ingredient_Smile": "CC1=CC2=C(C=CC(=C2C=C1)C)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41903","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-carboxymethyl-4-(3'-hydroxybutyl)furan
{"Ingredient_id": "HBIN005449","Ingredient_name": "2-carboxymethyl-4-(3'-hydroxybutyl)furan","Alias": "NA","Ingredient_formula": "C10H14O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3180","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-methyl-3-(2',3',4'-trihydroxy-butyl)pyrazine
{"Ingredient_id": "HBIN005961","Ingredient_name": "2-methyl-3-(2',3',4'-trihydroxy-butyl)pyrazine","Alias": "2-methyl-3-(2',3',4'-trihydroxybutyl)pyrazine","Ingredient_formula": "C9H14N2O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31690;14772","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,5-epoxy-6-tetradecene-8,10,12-triyn-1-ol
{"Ingredient_id": "HBIN010040","Ingredient_name": "4,5-epoxy-6-tetradecene-8,10,12-triyn-1-ol","Alias": "NA","Ingredient_formula": "C14H14O","Ingredient_Smile": "NA","Ingredient_weight": "198.26","OB_score": "NA","CAS_id": "17098-67-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7912","PubChem_id": "NA","DrugBank_id": "NA"}
4,6-tetradecadiene-8,10,12-triyn-1-ol
{"Ingredient_id": "HBIN010086","Ingredient_name": "4,6-tetradecadiene-8,10,12-triyn-1-ol","Alias": "NA","Ingredient_formula": "C14H14O","Ingredient_Smile": "CC#CC#CC#CC=CC=CCCCO","Ingredient_weight": "198.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7899","PubChem_id": "71353587","DrugBank_id": "NA"}
6-Isopropyl-1,4-dimethylnaphthalene
{"Ingredient_id": "HBIN012481","Ingredient_name": "6-Isopropyl-1,4-dimethylnaphthalene","Alias": "6-isopropyl-1,4-dimethyl-naphthalene; 1,4-dimethyl-6-propan-2-yl-naphthalene; 1,4-dimethyl-6-propan-2-ylnaphthalene","Ingredient_formula": "C15H18","Ingredient_Smile": "CC1=C2C=CC(=CC2=C(C=C1)C)C(C)C","Ingredient_weight": "198.3 g/mol","OB_score": "33.79169682","CAS_id": "NA","SymMap_id": "SMIT07242","TCMID_id": "NA","TCMSP_id": "MOL005493","TCM_ID_id": "NA","PubChem_id": "603340","DrugBank_id": "NA"}
6-tetradecene-8,10,12-triyn-3-one
{"Ingredient_id": "HBIN012826","Ingredient_name": "6-tetradecene-8,10,12-triyn-3-one","Alias": "NA","Ingredient_formula": "C14H14O","Ingredient_Smile": "CCC(=O)CCC=CC#CC#CC#CC","Ingredient_weight": "198.26","OB_score": "NA","CAS_id": "37064-08-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7519","PubChem_id": "5321840","DrugBank_id": "NA"}
aeginetolide
{"Ingredient_id": "HBIN014751","Ingredient_name": "aeginetolide","Alias": "NA","Ingredient_formula": "C11H18O3","Ingredient_Smile": "CC1(CCCC2(C1(CC(=O)O2)O)C)C","Ingredient_weight": "198.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "657","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15948056","DrugBank_id": "NA"}