Exact Mass: 164.0966
Exact Mass Matches: 164.0966
Found 500 metabolites which its exact mass value is equals to given mass value 164.0966,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
N,N-Dimethyl-N-phenylurea
CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6669; ORIGINAL_PRECURSOR_SCAN_NO 6668 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6668; ORIGINAL_PRECURSOR_SCAN_NO 6667 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6608; ORIGINAL_PRECURSOR_SCAN_NO 6607 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6673; ORIGINAL_PRECURSOR_SCAN_NO 6671 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6616; ORIGINAL_PRECURSOR_SCAN_NO 6615 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6616; ORIGINAL_PRECURSOR_SCAN_NO 6614 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3111 CONFIDENCE standard compound; INTERNAL_ID 4045 CONFIDENCE standard compound; INTERNAL_ID 8425 CONFIDENCE standard compound; INTERNAL_ID 2611
1-Pyrimidinylpiperazine
1-Pyrimidinylpiperazine is a metabolite of buspirone. Buspirone is an anxiolytic psychoactive drug of the azapirone chemical class, and is primarily used to treat generalized anxiety disorder (GAD) Bristol-Myers Squibb (BMS) gained FDA approval of buspirone in 1986 for treatment of GAD. The patent on Buspar by Bristol-Myers Squibb expired in 2001, and buspirone is available as a generic. (Wikipedia) D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
Triethylene Glycol Monomethyl Ether
Triethylene Glycol Monomethyl Ether, also known as 3,6,9-Trioxa-1-decanol or Methoxytriethylene glycol, is classified as a member of the Polyethylene glycols. Polyethylene glycols are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3). Triethylene Glycol Monomethyl Ether is considered to be soluble (in water) and relatively neutral
Kynuramine
Kynuramines are endogenously occurring diamines derived from tryptophan. [HMDB] Kynuramines are endogenously occurring diamines derived from tryptophan.
2-(1,2-Diamino-1-propenyl)phenol
2-(1,2-Diamino-1-propenyl)phenol is found in crustaceans. 2-(1,2-Diamino-1-propenyl)phenol is present in shrimp shell (Pandalus jordani) waste. Antioxidan Present in shrimp shell (Pandalus jordani) waste. Antioxidant. 2-(1,2-Diamino-1-propenyl)phenol is found in crustaceans.
Phenyl butyrate
Phenyl butyrate is a flavouring ingredient [CCD]. Flavouring ingredient [CCD]
2-Methoxy-5-prop-1-enylphenol
2-methoxy-5-prop-1-enylphenol 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. 2-methoxy-5-prop-1-enylphenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-methoxy-5-prop-1-enylphenol can be found in sesame, which makes 2-methoxy-5-prop-1-enylphenol a potential biomarker for the consumption of this food product.
Piperidines
Piperidines is soluble (in water) and a very weakly acidic compound (based on its pKa). Piperidines can be found in pomegranate, which makes piperidines a potential biomarker for the consumption of this food product. Piperidines is an organic compound with the molecular formula (CH2)5NH. This heterocyclic amine consists of a six-membered ring containing five methylene bridges (‚ÄìCH2‚Äì) and one amine bridge (‚ÄìNH‚Äì). It is a colorless Liquid with an odor described as objectionable, and typical of amines. the name comes from the genus name Piper, which is the Latin word for pepper. Although piperidine is a common organic compound, it is best known as a representative structure element within many pharmaceuticals and alkaloids . Piperidines is soluble (in water) and a very weakly acidic compound (based on its pKa). Piperidines can be found in pomegranate, which makes piperidines a potential biomarker for the consumption of this food product. Piperidines is an organic compound with the molecular formula (CH2)5NH. This heterocyclic amine consists of a six-membered ring containing five methylene bridges (–CH2–) and one amine bridge (–NH–). It is a colorless liquid with an odor described as objectionable, and typical of amines. the name comes from the genus name Piper, which is the Latin word for pepper. Although piperidine is a common organic compound, it is best known as a representative structure element within many pharmaceuticals and alkaloids .
Isochavibetol
Isochavibetol 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. Isochavibetol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isochavibetol can be found in anise, which makes isochavibetol a potential biomarker for the consumption of this food product.
5,5-Dimethyl-1,3,6-cycloheptatriene-1-carboxylic acid
Isoeugenol
A phenylpropanoid that is an isomer of eugenol in which the allyl substituent is replaced by a prop-1-enyl group. It is used in flavourings. Occurs in ylang-ylang and other essential oils. Isoeugenol is found in many foods, some of which are celeriac, spearmint, kale, and pepper (c. baccatum). Isoeugenol is an essential oil constituent of nutmeg, clove, and cinnamon. Isoeugenol inhibits growth of Escherichia coli and Listeria innocua with MICs of 0.6 mg/mL and 1 mg/mL, respectively[1]. Isoeugenol is an essential oil constituent of nutmeg, clove, and cinnamon. Isoeugenol inhibits growth of Escherichia coli and Listeria innocua with MICs of 0.6 mg/mL and 1 mg/mL, respectively[1].
2-(Cyclopropylcarbonyl)-3-(dimethylamino)acrylonitrile
1,1,5-Trimethyl-2-formyl-cyclohexa-2,5-diene-4-one|1,1,5-Trimethyl-2-formyl-cyclohexadien-(2,5)-on-(4)|1,1,5-Trimethyl-2-formyl-cyclohexadien-(2,5)-on-4
5,6-dihydro-4,7-dimethylcyclopentapyran-1-(4aH)one
(E)-p-coumaryl alcohol gamma-O-methyl ether|4-[(1E)-3-methoxy-1-propenyl]phenol
Kynuramine
A member of the class of kynurenamines that is aniline substituted at position 2 by a 3-aminopropanoyl group.
Viburtinal (4-Methyl-7-formyl-cyclopentapyran)|Viburtinal (4-Methyl-7-formyl-cyclopenta[c]pyran)
9-hydroxy-8,10-dehydrothymol
A natural product found in Eupatorium cannabinum subspecies asiaticum.
(+)-(1S)-4-methyl-alpha-methylene-2-oxocyclohex-3-eneacetaldehyde|(+)-(S)-vesperal|(S)-(+)-vesperal
(4S)-(3-oxoprop-1-en-2-yl)cyclohex-1-enecarbaldehyde|(4S)-parectadial
(Z)-5-(4-Hexen-2-ynyl)dihydro-2(5H)-furanone|dec-7E-en-5-yn-4-olide
4,7-Dimethyl-4a,5-dihydrocyclopenta[c]pyran-3(4H)-one
4, 6-Decadiynoic acid|Deca-4,6-diinsaeure|deca-4,6-diynoic acid|decane-4,6-diynoic acid
(+/-)-o-mentha-1,3-dien-1->8-olide|3,3-dimethyl-3a,4-dihydro-3H-isobenzofuran-1-one|o-Mentha-1,3-dien-1->8-olid
10-Hydroxy-4,6-decadiyn-3-one|10-hydroxy-deca-4,6-diyn-3-one
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3-(1-methylethyl)-
Hinokitiol
Origin: Plant; Formula(Parent): C10H12O2; Bottle Name:Hinokitiol; PRIME Parent Name:Hinokitiol; PRIME in-house No.:S0323; SubCategory_DNP: Monoterpenoids, Tropolone monoterpenoids D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents Hinokitiol is a component of essential oils isolated from Chymacyparis obtusa, reduces Nrf2 expression, and decreases DNMT1 and UHRF1 mRNA and protein expression, with anti-infective, anti-oxidative, and anti-tumor activities. Hinokitiol is a component of essential oils isolated from Chymacyparis obtusa, reduces Nrf2 expression, and decreases DNMT1 and UHRF1 mRNA and protein expression, with anti-infective, anti-oxidative, and anti-tumor activities.
3-Phenylbutyric acid
A monocarboxylic acid that is butanoic acid substituted by a phenyl group at position 3. 3-Phenylbutyric acid is metabolized by initial oxidation of the benzene ring and by initial oxidation of the side chain. 3-Phenylbutyric acid can be used to isolate Rhodococcus rhodochrous PB1 from compost soil[1][2].
Eugenol
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent D000890 - Anti-Infective Agents D012997 - Solvents Eugenol is an essential oil found in cloves with antibacterial, anthelmintic and antioxidant activity. Eugenol is shown to inhibit lipid peroxidation. Eugenol is an essential oil found in cloves with antibacterial, anthelmintic and antioxidant activity. Eugenol is shown to inhibit lipid peroxidation.
Thymoquinone
Thymoquinone is an orally active natural product isolated from N. sativa Thymoquinone down-regulates the VEGFR2-PI3K-Akt pathway. Thymoquinone has antioxidant, anti-inflammatory, anticancer, antiviral, anticonvulsant, antifungal, antiviral, antiangiogenic activity and hepatoprotective effects. Thymoquinone can be used to study Alzheimer's disease, cancer, cardiovascular disease, infectious disease and inflammation [1][2][3][4][5].
UNII:S7S079H2C2
A monocarboxylic acid that is butyric acid substituted by a phenyl group at position 2. C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent 2-Phenylbutanoic acid is an endogenous metabolite.
2,4,6-Trimethylbenzoic acid
CONFIDENCE standard compound; INTERNAL_ID 362; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4360; ORIGINAL_PRECURSOR_SCAN_NO 4357 CONFIDENCE standard compound; INTERNAL_ID 362; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4383; ORIGINAL_PRECURSOR_SCAN_NO 4380 CONFIDENCE standard compound; INTERNAL_ID 362; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4360; ORIGINAL_PRECURSOR_SCAN_NO 4359 CONFIDENCE standard compound; INTERNAL_ID 362; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4447; ORIGINAL_PRECURSOR_SCAN_NO 4443 CONFIDENCE standard compound; INTERNAL_ID 362; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4353; ORIGINAL_PRECURSOR_SCAN_NO 4351
raspberry ketone
INTERNAL_ID 883; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7868; ORIGINAL_PRECURSOR_SCAN_NO 7864 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7868; ORIGINAL_PRECURSOR_SCAN_NO 7864 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7925; ORIGINAL_PRECURSOR_SCAN_NO 7921 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7889; ORIGINAL_PRECURSOR_SCAN_NO 7886 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7929; ORIGINAL_PRECURSOR_SCAN_NO 7926 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7919; ORIGINAL_PRECURSOR_SCAN_NO 7916 CONFIDENCE standard compound; INTERNAL_ID 883; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7925; ORIGINAL_PRECURSOR_SCAN_NO 7922 Raspberry ketone is a major aromatic compound of red raspberry, widely used as a fragrance in cosmetics and as a flavoring agent in foodstuff; also shows PPAR-α agonistic activity. Raspberry ketone is a major aromatic compound of red raspberry, widely used as a fragrance in cosmetics and as a flavoring agent in foodstuff; also shows PPAR-α agonistic activity. Raspberry ketone is a major aromatic compound of red raspberry, widely used as a fragrance in cosmetics and as a flavoring agent in foodstuff; also shows PPAR-α agonistic activity.
N-(3-Aminophenyl)propanamide
CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6606; ORIGINAL_PRECURSOR_SCAN_NO 6604 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6616; ORIGINAL_PRECURSOR_SCAN_NO 6614 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6633; ORIGINAL_PRECURSOR_SCAN_NO 6631 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6669; ORIGINAL_PRECURSOR_SCAN_NO 6668 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6673; ORIGINAL_PRECURSOR_SCAN_NO 6671 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6668; ORIGINAL_PRECURSOR_SCAN_NO 6667
Methyl 3-phenylpropionate
Methyl 3-phenylpropanoate is an endogenous metabolite.
PROPYL BENZOATE
A benzoate ester obtained by condensation of benzoic acid and propanol. It has a balsamic odor reminescent of nuts with a sweet, fruity, nut-like taste.
2-Methyl-3,4-dihydro-2H-benzo[1,4]oxazin-8-ylamine
2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
Pyrido[3,4-b]pyrazin-3-amine, 5,6,7,8-tetrahydro-6-methyl- (9CI)
Pyrido[3,4-b]pyrazin-2-amine, 5,6,7,8-tetrahydro-6-methyl- (9CI)
2-(3-aminophenyl)-N-methylacetamide(SALTDATA: FREE)
(1-METHYLPIPERIDIN-4-YL)METHANAMINE DIHYDROCHLORIDE
2H-Pyrido[1,2-a]pyrimidin-2-one,3,4-dihydro-9-methyl-
3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
8-Methyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
4-isopropoxybenzaldehyde
ALDH1A3-IN-3 (compound 16) is a potent inhibitor of ALDH1A3, with an IC50 of 0.26 μM. ALDH1A3-IN-3 is also a good ALDH3A1 substrate. ALDH1A3-IN-3 can be used for the research of prostate cancer[1].
7A-METHYL-2,3,7,7A-TETRAHYDRO-1H-INDENE-1,5(6H)-DIONE
1-(((4-BROMOMETHYL)PHENYL)THIO)-2-NITRO-(TRIFLUOROMETHYL)BENZENE
Trans-N,N-dimethyl-1,2-cyclopentanediamine dihydrochloride
Kondensationsprodukte von mehrwertigen aliphatischen Alkoholen oder Kohlehydraten oder 1,2-Ethylendiamin mit Ethylenoxid und/oder Propylenoxid
1H-pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-(2-propenyl)-
Pluronic F-127
D010592 - Pharmaceutic Aids > D014677 - Pharmaceutical Vehicles > D005079 - Excipients D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
Gibepyrone A
A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3 and 6 are replaced by methyl and (2E)-2-buten-2-yl groups, respectively. It is a mycotoxin produced by the rice pathogen Fusarium fujikuroi.
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-6-methyl-
Engenol
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent D000890 - Anti-Infective Agents D012997 - Solvents Eugenol is an essential oil found in cloves with antibacterial, anthelmintic and antioxidant activity. Eugenol is shown to inhibit lipid peroxidation. Eugenol is an essential oil found in cloves with antibacterial, anthelmintic and antioxidant activity. Eugenol is shown to inhibit lipid peroxidation.
Rheosmin
Raspberry ketone is a major aromatic compound of red raspberry, widely used as a fragrance in cosmetics and as a flavoring agent in foodstuff; also shows PPAR-α agonistic activity. Raspberry ketone is a major aromatic compound of red raspberry, widely used as a fragrance in cosmetics and as a flavoring agent in foodstuff; also shows PPAR-α agonistic activity. Raspberry ketone is a major aromatic compound of red raspberry, widely used as a fragrance in cosmetics and as a flavoring agent in foodstuff; also shows PPAR-α agonistic activity.
cumic acid
4-Isopropylbenzoic acid, an aromatic monoterpenoid, is isolated from the stem bark of Bridelia retusa. 4-Isopropylbenzoic acid exhibits antifungal activities. 4-Isopropylbenzoic acid is also a reversible and uncompetitive inhibitor of mushroom tyrosinase[1][2]. 4-Isopropylbenzoic acid, an aromatic monoterpenoid, is isolated from the stem bark of Bridelia retusa. 4-Isopropylbenzoic acid exhibits antifungal activities. 4-Isopropylbenzoic acid is also a reversible and uncompetitive inhibitor of mushroom tyrosinase[1][2].
(2R,3S,4R,5S)-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol
(2R,3R,4R,5S)-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol
(2R,3R,4R,5R)-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol
[(3S,4S,5S,6R)-2,3,5-trihydroxy-6-methyloxan-4-yl]azanium
2-Methoxy-3,7-dimethylcyclohepta-2,4,6-trien-1-one
Phenylbutyric acid
C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
Methyl 3-phenylpropanoate
A methyl ester resulting from the formal condensation of the carboxy group of 3-phenylpropionic acid with methanol.
2-(1-Piperazinyl)pyrimidine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
4,6,6-trimethyl-5-oxocyclohexa-1,3-diene-1-carbaldehyde
(1s,2s,5r,8r)-2,6-dimethyl-4-oxatricyclo[3.3.1.0²,⁸]non-6-en-3-one
1,1,5-trimethyl-2-formyl-cyclohexa-2,5-diene-4-one
{"Ingredient_id": "HBIN000322","Ingredient_name": "1,1,5-trimethyl-2-formyl-cyclohexa-2,5-diene-4-one","Alias": "1,1,5-trimethyl-2-formylcyclohexa-2,5-diene-4-one; 4,6,6-trimethyl-3-oxo-1,4-Cyclohexadiene-1-carboxaldehyde","Ingredient_formula": "C10H12O2","Ingredient_Smile": "Not Available","Ingredient_weight": "164.22","OB_score": "48.94293393","CAS_id": "23985-22-0","SymMap_id": "SMIT00863","TCMID_id": "21941","TCMSP_id": "MOL008272","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione
{"Ingredient_id": "HBIN003312","Ingredient_name": "(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione","Alias": "(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene-2,5-quinone","Ingredient_formula": "C10H12O2","Ingredient_Smile": "NA","Ingredient_weight": "164.2","OB_score": "64.22587061","CAS_id": "6617-34-1","SymMap_id": "SMIT05444","TCMID_id": "NA","TCMSP_id": "MOL003361","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-Methoxy-3-(2-propenyl)-phenol
{"Ingredient_id": "HBIN005874","Ingredient_name": "2-Methoxy-3-(2-propenyl)-phenol","Alias": "NA","Ingredient_formula": "C10H12O2","Ingredient_Smile": "COC1=C(C=CC=C1O)CC=C","Ingredient_weight": "164.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36672","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "596373","DrugBank_id": "NA"}
alpha-thujaplicin
{"Ingredient_id": "HBIN015722","Ingredient_name": "alpha-thujaplicin","Alias": "\u03b1-thujaplicin","Ingredient_formula": "C10H12O2","Ingredient_Smile": "CC(C)C1=C(C(=O)C=CC=C1)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32064;21330","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anisolacetone
{"Ingredient_id": "HBIN016192","Ingredient_name": "anisolacetone","Alias": "NA","Ingredient_formula": "C10H12O2","Ingredient_Smile": "CC(=O)CC1=CC=C(C=C1)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1289","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
