Exact Mass: 150.078
Exact Mass Matches: 150.078
Found 500 metabolites which its exact mass value is equals to given mass value 150.078,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2-Methoxy-4-vinylphenol
2-methoxy-4-vinylphenol is a member of the class of phenols that is guaiacol in which the hydrogen para- to the hydroxy group is replaced by a vinyl group. It has a role as a pheromone, a flavouring agent and a plant metabolite. 2-Methoxy-4-vinylphenol is a natural product found in Coffea, Coffea arabica, and other organisms with data available. 4-Vinylguaiacol is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Moringa oleifera leaf oil (part of). 2-Methoxy-4-vinylphenol is an aromatic substance used as a flavoring agent. It is one of the compounds responsible for the natural aroma of buckwheat. A member of the class of phenols that is guaiacol in which the hydrogen para- to the hydroxy group is replaced by a vinyl group. Responsible for off-flavour of old fruit in stored orange juice 2-Methoxy-4-vinylphenol (2M4VP), a naturally Germination inhibitor, exerts potent anti-inflammatory effects[1][2]. 2-Methoxy-4-vinylphenol (2M4VP), a naturally Germination inhibitor, exerts potent anti-inflammatory effects[1][2].
Hydrocinnamic acid
Hydrocinnamic acid, also known as 3-phenylpropanoic acid or dihydrocinnamic acid, belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid (C6-C3). Phenylpropanoic acid can be prepared from cinnamic acid by hydrogenation. Hydrocinnamic acid is a sweet, balsamic, and cinnamon tasting compound. This compound is used frequently in cosmetic products such as perfumes, bath gels, detergent powders, liquid detergents, fabric softeners, and soaps as it gives off a floral scent. A characteristic reaction of phenylpropanoic acid is its cyclization to indanones. Phenylpropanoic acid is used in the food industry to preserve and maintain the original aroma quality of frozen foods. Phenylpropanoic acid is also added to food for technological purposes in a wide variety including manufacturing, processing, preparation, treatment, packaging, transportation or storage, and food additives. This compound is used as a sweetener as well to sweeten food and can be found in tabletop sweeteners. Hydrocinnamic acid is an analogue of phenylalanine. It is a substrate of the enzyme oxidoreductases [EC 1.14.12.-] in the pathway phenylalanine metabolism (KEGG). 3-Phenylpropanoic acid is found in many foods, some of which are purple laver, quinoa, custard apple, and conch. KEIO_ID P109 Hydrocinnamic acid is the major rhizospheric compound with known growth regulatory activities. Hydrocinnamic acid is the major rhizospheric compound with known growth regulatory activities.
Benzyl acetate
Benzyl acetate, also known as benzyl ethanoate or fema 2135, belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Benzyl acetate is a sweet, apple, and apricot tasting compound. Benzyl acetate is found, on average, in the highest concentration within sweet basils. Benzyl acetate has also been detected, but not quantified, in several different foods, such as figs, fruits, pomes, tea, and alcoholic beverages. On high concnetrations benzyl acetate is a potentially toxic compound. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. Occurs in jasmine, apple, cherry, guava fruit and peel, wine grape, white wine, tea, plum, cooked rice, Bourbon vanilla, naranjila fruit (Solanum quitoense), Chinese cabbage and quince. Flavouring agent Benzyl acetate is a constituent of jasmin and of the essential oils of ylang-ylang and neroli. Natural sources of Benzyl acetate include varieties of flowers like jasmine (Jasminum), and fruits like pear, apple[1]. Benzyl acetate is a constituent of jasmin and of the essential oils of ylang-ylang and neroli. Natural sources of Benzyl acetate include varieties of flowers like jasmine (Jasminum), and fruits like pear, apple[1].
4-Coumaryl alcohol
4-coumaryl alcohol, also known as 4-hydroxycinnamyl alcohol or 4-coumaric acid, (E)-isomer, is a member of the class of compounds known as cinnamyl alcohols. Cinnamyl alcohols are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety. 4-coumaryl alcohol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4-coumaryl alcohol can be synthesized from (E)-cinnamyl alcohol. 4-coumaryl alcohol is also a parent compound for other transformation products, including but not limited to, trans-coumaryl acetate, p-hydroxyphenyl lignin, and 4-hydroxy cinnamyl alcohol diacetate. 4-coumaryl alcohol can be found in a number of food items such as lemon balm, ginseng, red raspberry, and feijoa, which makes 4-coumaryl alcohol a potential biomarker for the consumption of these food products. 4-coumaryl alcohol can be found primarily in human testes tissue. Paracoumaryl alcohol, also called p-coumaryl alcohol, 4-coumaryl alcohol, 4-hydroxycinnamyl alcohol, or 4-(3-hydroxy-1-propenyl)phenol, is a phytochemical, one of the monolignols. It is synthesized via the phenylpropanoid biochemical pathway. When polymerized, p-coumaryl alcohol forms lignin or lignans . 4-Coumaryl alcohol (CAS: 3690-05-9), also known as p-coumaryl alcohol or 4-hydroxycoumarin, belongs to the class of organic compounds known as cinnamyl alcohols. These are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety. Outside of the human body, 4-Coumaryl alcohol has been detected, but not quantified in, several different foods, such as loquats, sweet basils, capers, red algae, and squashberries. This could make 4-coumaryl alcohol a potential biomarker for the consumption of these foods. 4-Coumaryl alcohol is a substrate for NAD(P)H dehydrogenase 1. D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants D000890 - Anti-Infective Agents
p-Tolyl acetate
p-Tolyl acetate is found in herbs and spices. p-Tolyl acetate is present in essential oils of wallflower, cananga and ylang-ylang. p-Tolyl acetate is a flavouring ingredien Present in essential oils of wallflower, cananga and ylang-ylang. Flavouring ingredient. p-Tolyl acetate is found in herbs and spices.
Paroxypropione
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist Same as: D01870
N,N-Dimethyl-4-nitrosoaniline
CONFIDENCE standard compound; INTERNAL_ID 907; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2330; ORIGINAL_PRECURSOR_SCAN_NO 2329 CONFIDENCE standard compound; INTERNAL_ID 907; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2326; ORIGINAL_PRECURSOR_SCAN_NO 2324 CONFIDENCE standard compound; INTERNAL_ID 907; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2328; ORIGINAL_PRECURSOR_SCAN_NO 2327 CONFIDENCE standard compound; INTERNAL_ID 907; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2338; ORIGINAL_PRECURSOR_SCAN_NO 2337 CONFIDENCE standard compound; INTERNAL_ID 907; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2335; ORIGINAL_PRECURSOR_SCAN_NO 2331 CONFIDENCE standard compound; INTERNAL_ID 907; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2337; ORIGINAL_PRECURSOR_SCAN_NO 2335
3,4-Dimethylbenzoic acid
Trimethylobenzene is metabolized mainly to dimethylbenzoic (DMBA) acid. Trimethylobenzene (TMB) is a common ingredient of many organic solvents used in industry. DMBA and dimethylhippuric (DMHA) acids, excreted in urine can be used as biological indicators of exposure to TMB. (PMID: 8170375). Isolated from Eryngium foetidum (culantro) 3,4-Dimethylbenzoic acid acts as a product of dimethylbenzoate metabolism by Rhodococcus rhodochrous N75[1].
Ethyl benzoate
Ethyl benzoate, also known as benzoic ether or fema 2422, belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Ethyl benzoate is the ester formed by the condensation of benzoic acid and ethanol. It is a component of some artificial fruit flavors. It is a colorless liquid that is almost insoluble in water, but miscible with most organic solvents. As with many volatile esters, ethyl benzoate has a pleasant odor. Ethyl benzoate is a sweet, anise, and balsam tasting compound. Ethyl benzoate has been detected, but not quantified, in several different foods, such as black elderberries, pomes, alcoholic beverages, allspices, and blackcurrants. It has also been found in various fruits, e.g. apple, banana, sweet cherryand is also present in milk, butter, wines, black tea, bourbon vanilla and fruit brandies. Ethyl benzoate is a potentially toxic compound. ; Found in various fruits, e.g. apple, banana, sweet cherryand is also present in milk, butter, wines, black tea, bourbon vanilla and fruit brandies. Flavouring agent
4-Ethoxybenzaldehyde
4-Ethoxybenzaldehyde is found in tea. 4-Ethoxybenzaldehyde is present in black tea. 4-Ethoxybenzaldehyde is a flavouring ingredient. Present in black tea. Flavouring ingredient. 4-Ethoxybenzaldehyde is found in tea.
4'-Methoxyacetophenone
4-Methoxyacetophenone is found in alcoholic beverages. 4-Methoxyacetophenone is a trace constituent of oil of Piper longum (long pepper). 4-Methoxyacetophenone is present in cranberry (Vaccinium oxycoccus) and other fruits, tomato, anise (Pimpinella anisum), grilled and roasted beef and sherry. 4-Methoxyacetophenone is a flavouring ingredient and adjuvant; useful in vanilla, nut, tobacco and butter flavour. 4-Methoxyacetophenone is trace constituent of oil of Piper longum (long pepper). It is found in cranberry (Vaccinium oxycoccus) and other fruits, tomato, anise (Pimpinella anisum), grilled and roasted beef and sherry. Propyl 3-methylbutanoate can be used as a flavouring ingredient and adjuvant; useful in vanilla, nut, tobacco and butter flavours.
2-Phenylpropionate
2-Phenylpropionate is an intermediate in alpha-Methylstyrene (2-phenylpropylene) metabolism. It was identified in human liver slices in small amounts. It is. likely that 2-Phenylpropionate derives from 2-phenylpropionaldehyde, formed from a. 1,2-hydride shift during the transfer of active oxygen to the vinyl. group, as has been proposed for the cytochrome P450-mediated oxidation. of styrene to form phenylacetaldehyde. (PMID: 11159807). 2-Phenylpropionate has been found to be a metabolite of Acinetobacter, Bacteroides, Bifidobacterium, Clostridium, Enterococcus, Escherichia, Eubacterium, Klebsiella, Lactobacillus, Pseudomonas and Staphylococcus (PMID: 19961416). 2-Phenylpropionate is an intermediate in alpha-Methylstyrene (2-phenylpropylene) metabolism. It was identified in human liver slices in small amounts. It is 2-Phenylpropionic acid is an intermediate in alpha-Methylstyrene metabolism. 2-Phenylpropionic acid is an intermediate in alpha-Methylstyrene metabolism.
4-Ethylbenzoic acid
4-Ethylbenzoic acid is a man-made organic chemical relatively resistant to physical, chemical, or biological degradation, and constitutes an environmental burden. (PMID 3468623). It is also one of the compounds derived from tobacco and tobacco smoke. (PMID 7466833). 4-Ethylbenzoic acid is a man-made organic chemical relatively resistant to physical, chemical, or biological degradation, and constitutes an environmental burden. (PMID 3468623)
2-(2-Furanyl)-3-methyl-2-butenal
2-(2-Furanyl)-3-methyl-2-butenal is a constituent of the oil of Papaver somniferum (opium poppy). Constituent of the oil of Papaver somniferum (opium poppy)
2-Acetyl-3-ethylpyrazine
2-Acetyl-3-ethylpyrazine is a flavouring ingredien Flavouring ingredient
2-Phenylethyl formate
2-Phenylethyl formate is found in bilberry. 2-Phenylethyl formate is a flavouring ingredient. Flavouring ingredient. 2-Phenylethyl formate is found in bilberry.
2'-Hydroxy-5'-methylacetophenone
2-Hydroxy-5-methylacetophenone is found in coffee and coffee products. 2-Hydroxy-5-methylacetophenone is a flavouring for coffe Flavouring for coffee. 2-Hydroxy-5-methylacetophenone is found in coffee and coffee products. 2'-Hydroxy-5'-methylacetophenone belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one
7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one is found in herbs and spices. 7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one is an alkaloid from the roots of Glycyrrhiza uralensis (Chinese licorice). Alkaloid from the roots of Glycyrrhiza uralensis (Chinese licorice). 7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one is found in herbs and spices.
o-Tolyl acetate
o-Tolyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Methyl phenylacetate
Methyl phenylacetate, also known as fema 2733 or mephaneine, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Methyl phenylacetate is a sweet, almond, and floral tasting compound. Methyl phenylacetate is found, on average, in the highest concentration within corns. Methyl phenylacetate has also been detected, but not quantified, in several different foods, such as cocoa and cocoa products, coffee and coffee products, fruits, and pepper (c. frutescens). This could make methyl phenylacetate a potential biomarker for the consumption of these foods. Methyl phenylacetate has a strong odor similar to honey. It is a colorless liquid that is only slightly soluble in water, but soluble in most organic solvents. It is used in the flavor industry and in perfumes to impart honey scents. This compound also occurs in brandy, capsicum, coffee, honey, pepper, and some wine. Methyl phenyldiazoacetate, precursor to cyclopropanation agents, is prepared by treating methyl phenylacetate with p-acetamidobenzenesulfonyl azide in the presence of base. Methyl phenylacetate is an organic compound that is the methyl ester of phenylacetic acid, with the structural formula C6H5CH2COOCH3. Methyl phenylacetate is an organic compound that is the ester formed from methanol and phenylacetic acid. It is a clear colorless liquid that is only slightly soluble in water, but very soluble in most organic solvents. Methyl phenylacetate is found in many foods, some of which are cocoa and cocoa products, corn, coffee and coffee products, and pepper (C. frutescens).
3-Methylphenylacetic acid
3-methylphenylacetic acid is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-methylphenyl group. It has a role as a fungal xenobiotic metabolite. It is a monocarboxylic acid and a member of benzenes. It derives from an acetic acid. 3-Methylphenylacetic acid belongs to the class of organic compounds known as toluenes. Toluenes are compounds containing a benzene ring which bears a methane group. 3-Methylphenylacetic acid is a hydroaromatic dicarboxylic acids excreted in the urine as metabolite of tolueneacetic acid (PMID 13548876), itself a metabolite of common herbicides (PMID 6660505) [HMDB] m-Tolylacetic acid (3-Methylbenzeneacetic acid) is a hydroaromatic dicarboxylic acids excreted in the urine as metabolite of tolueneacetic acid[1].
6-Methylnicotinamide
6-methylnicotinamide is a derivative of nicotinamide. It is associated with early sign of Parkinsons disease. (PubMed: 8224447; PubMed: 8674737)
2'-Methoxyacetophenone
2-Methoxyacetophenone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1-Phenylethyl formate
1-Phenylethyl formate is a flavouring ingredient. Flavouring ingredient
2-Ethyl-4-(2-furanyl)-2-propenal
2-Ethyl-4-(2-furanyl)-2-propenal is a synthetic flavouring ingredient. Synthetic flavouring ingredient
2-Acetyl-3,6-dimethylpyrazine
2-Acetyl-3,6-dimethylpyrazine is found in coffee and coffee products. 2-Acetyl-3,6-dimethylpyrazine is a component of coffee aroma. Component of coffee aroma. 2-Acetyl-3,6-dimethylpyrazine is found in coffee and coffee products.
2-Acetyl-3,5-dimethylpyrazine
2-Acetyl-3,5-dimethylpyrazine is found in coffee and coffee products. 2-Acetyl-3,5-dimethylpyrazine is a constituent of wood smoke and coffee aroma. 2-Acetyl-3,5-dimethylpyrazine is a component of *FEMA 3327*. Constituent of wood smoke and coffee aroma. Component of *FEMA 3327*. 2-Acetyl-3,5-dimethylpyrazine is found in coffee and coffee products.
4-Hydroxy-3-methylacetophenone
4-Hydroxy-3-methylacetophenone belongs to the family of Acetophenones. These are organic compounds containing the acetophenone structure 4'-Hydroxy-3'-methylacetophenone, a phenolic volatile compound, is isolated from Hawaiian green coffee beans (Coffea Arabica L.). 4'-Hydroxy-3'-methylacetophenone has potent antioxidant activities. 4'-Hydroxy-3'-methylacetophenone also can be used to synthesize heterocyclic compounds which have antimycobacterial activity[1][2]. 4'-Hydroxy-3'-methylacetophenone, a phenolic volatile compound, is isolated from Hawaiian green coffee beans (Coffea Arabica L.). 4'-Hydroxy-3'-methylacetophenone has potent antioxidant activities. 4'-Hydroxy-3'-methylacetophenone also can be used to synthesize heterocyclic compounds which have antimycobacterial activity[1][2].
3'-carboxy-alpha-chromanol
3-carboxy-alpha-chromanol is classified as a member of the 1-benzopyrans. 1-benzopyrans are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. 3-carboxy-alpha-chromanol is considered to be soluble (in water) and relatively neutral
2,6-Diaminopurine
2,6-diaminopurine, also known as 2-aminoadenine, is a member of the class of compounds known as 6-aminopurines. 6-aminopurines are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. 2,6-diaminopurine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,6-diaminopurine can be synthesized from adenine. 2,6-diaminopurine can also be synthesized into reversine. 2,6-diaminopurine can be found in broad bean, which makes 2,6-diaminopurine a potential biomarker for the consumption of this food product. 2,6-diaminopurine is a compound used to treat leukemia.[1] In August 2011, a report, based on NASA studies with meteorites found on Earth, was published suggesting 2,6-diaminopurine and related organic molecules, including the DNA and RNA components adenine and guanine, may have been formed extraterrestrially in outer space . D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
4-Hydroxy-3-methyl-2-(2-propynyl)-2-cyclopentene-1-one
TRIETHYLENE GLYCOL
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3'-Methoxyacetophenone
3-methoxyacetophenone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 3-methoxyacetophenone is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 3-methoxyacetophenone can be found in sesame, which makes 3-methoxyacetophenone a potential biomarker for the consumption of this food product.
5-Ethenyl-2-methoxyphenol
5-ethenyl-2-methoxyphenol 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. 5-ethenyl-2-methoxyphenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 5-ethenyl-2-methoxyphenol can be found in bilberry and highbush blueberry, which makes 5-ethenyl-2-methoxyphenol a potential biomarker for the consumption of these food products.
3-phenylpropanoic acid
Hydrocinnamic acid is the major rhizospheric compound with known growth regulatory activities. Hydrocinnamic acid is the major rhizospheric compound with known growth regulatory activities.
Hydroxychavicol
4-Allylpyrocatechol is a natural product found in Dracaena draco, Piper retrofractum, and other organisms with data available. 4-Allylcatechol (4-Allylpyrocatechol, Hydroxychavicol) is an intermediate to synthetic safrole. 4-Allylcatechol (4-Allylpyrocatechol, Hydroxychavicol) is an intermediate to synthetic safrole.
trans-p-Coumaryl alcohol
4-Hydroxycinnamyl alcohol with E-configuration of the propenyl double bond. It is one of the main monolignols.
4-Aminoacetanilide
CONFIDENCE standard compound; INTERNAL_ID 2761 CONFIDENCE standard compound; INTERNAL_ID 8656 CONFIDENCE standard compound; INTERNAL_ID 8112 CONFIDENCE standard compound; INTERNAL_ID 8053 CONFIDENCE standard compound; INTERNAL_ID 4135
(E)-2-Nonene-4,6-diyne-1,9-diol|non-2t-ene-4,6-diyne-1,9-diol|trans-Non-2-en-4,6-diin-1,9-diol|trans-Non-2-en-4,6-diyn-1,9-diol|trans-Nonen-(2)-diin-(4,6)-diol-(1,9)
2-Methyl-2-formyl-1-phenylhydrazin|N-Methyl-N-phenyl-N-formyl-hydrazin
AI3-28646
2-Hydroxy-4-methylacetophenone is a natural product found in Angelica pubescens and Eupatorium fortunei with data available. 2'-Hydroxy-4'-methylacetophenone, a phenolic compound isolated from Angelicae koreana roots possesses acaricidal property[1]. It could be used in the preparation of 4’-methyl-2’-[(p-tolylsulfonyl) oxy] acetophenone[2]. 2'-Hydroxy-4'-methylacetophenone, a phenolic compound isolated from Angelicae koreana roots possesses acaricidal property[1]. It could be used in the preparation of 4’-methyl-2’-[(p-tolylsulfonyl) oxy] acetophenone[2].
Benzyl acetate
The acetate ester of benzyl alcohol. Benzyl acetate is a constituent of jasmin and of the essential oils of ylang-ylang and neroli. Natural sources of Benzyl acetate include varieties of flowers like jasmine (Jasminum), and fruits like pear, apple[1]. Benzyl acetate is a constituent of jasmin and of the essential oils of ylang-ylang and neroli. Natural sources of Benzyl acetate include varieties of flowers like jasmine (Jasminum), and fruits like pear, apple[1].
2-methyl-4-acetylphenol
4-hydroxy-3-methylacetophenone is a monohydroxyacetophenone that is acetophenone carrying methyl and hydroxy groups at positions 3 and 4, respectively. It has a role as a volatile oil component and an insect attractant. It is a monohydroxyacetophenone, a member of phenols and a hydroxytoluene. It is functionally related to an acetophenone. 4-Hydroxy-3-methylacetophenone is a natural product found in Apium graveolens and Rehmannia glutinosa with data available. A monohydroxyacetophenone that is acetophenone carrying methyl and hydroxy groups at positions 3 and 4, respectively. 4'-Hydroxy-3'-methylacetophenone, a phenolic volatile compound, is isolated from Hawaiian green coffee beans (Coffea Arabica L.). 4'-Hydroxy-3'-methylacetophenone has potent antioxidant activities. 4'-Hydroxy-3'-methylacetophenone also can be used to synthesize heterocyclic compounds which have antimycobacterial activity[1][2]. 4'-Hydroxy-3'-methylacetophenone, a phenolic volatile compound, is isolated from Hawaiian green coffee beans (Coffea Arabica L.). 4'-Hydroxy-3'-methylacetophenone has potent antioxidant activities. 4'-Hydroxy-3'-methylacetophenone also can be used to synthesize heterocyclic compounds which have antimycobacterial activity[1][2].
4-Acetyl-3-methylphenol
4-hydroxy-2-methylacetophenone is a member of the class of acetophenones that is acetophenone substituted by a hydroxy group at position 4 and a methyl group at position 2 respectively. It has a role as a metabolite. It is a member of acetophenones and a member of phenols. A member of the class of acetophenones that is acetophenone substituted by a hydroxy group at position 4 and a methyl group at position 2 respectively. 4′-Hydroxy-2′-methylacetophenone, an aroma compound of red wines, is isolated from cv. Bobal grape variety. 4′-Hydroxy-2′-methylacetophenone has ciliate toxicity. 4′-Hydroxy-2′-methylacetophenone inhibits the growth of T. pyriformis, with an IC50 of 0.65 mM[1][2]. 4′-Hydroxy-2′-methylacetophenone, an aroma compound of red wines, is isolated from cv. Bobal grape variety. 4′-Hydroxy-2′-methylacetophenone has ciliate toxicity. 4′-Hydroxy-2′-methylacetophenone inhibits the growth of T. pyriformis, with an IC50 of 0.65 mM[1][2].
hydrocinnamic acid
Hydrocinnamic acid is the major rhizospheric compound with known growth regulatory activities. Hydrocinnamic acid is the major rhizospheric compound with known growth regulatory activities.
m-Tolylacetic acid
A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-methylphenyl group. m-Tolylacetic acid (3-Methylbenzeneacetic acid) is a hydroaromatic dicarboxylic acids excreted in the urine as metabolite of tolueneacetic acid[1].
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
p-coumaryl alcohol
D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants D000890 - Anti-Infective Agents Annotation level-1
3-Amino-4-methylbenzamide
CONFIDENCE standard compound; INTERNAL_ID 947; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1982; ORIGINAL_PRECURSOR_SCAN_NO 1977 CONFIDENCE standard compound; INTERNAL_ID 947; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2348; ORIGINAL_PRECURSOR_SCAN_NO 2343 CONFIDENCE standard compound; INTERNAL_ID 947; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1986; ORIGINAL_PRECURSOR_SCAN_NO 1985 CONFIDENCE standard compound; INTERNAL_ID 947; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1995; ORIGINAL_PRECURSOR_SCAN_NO 1994 CONFIDENCE standard compound; INTERNAL_ID 947; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2343; ORIGINAL_PRECURSOR_SCAN_NO 2342 CONFIDENCE standard compound; INTERNAL_ID 947; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2343; ORIGINAL_PRECURSOR_SCAN_NO 2341
2-Phenylpropionic acid
2-Phenylpropionic acid is an intermediate in alpha-Methylstyrene metabolism. 2-Phenylpropionic acid is an intermediate in alpha-Methylstyrene metabolism.
m-Tolylacetate
m-Tolylacetic acid (3-Methylbenzeneacetic acid) is a hydroaromatic dicarboxylic acids excreted in the urine as metabolite of tolueneacetic acid[1].
Paraxylic Acid
3,4-Dimethylbenzoic acid acts as a product of dimethylbenzoate metabolism by Rhodococcus rhodochrous N75[1].
2-Acetyl-P-cresol
2'-Hydroxy-5'-methylacetophenone belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
3-methyl-2H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-2-one
1-Cyclopentene-1-carboxylicacid,2-propynylester(9CI)
(3-HYDROXY-1-HYDROXYMETHYL-CYCLOPENTYL)-CARBAMICACIDTERT-BUTYLESTER
Pyrrolo[1,2-a]pyrazin-3(4H)-one, 1,2-dihydro-6-methyl- (9CI)
3-phenylpropanoic acid
A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. Hydrocinnamic acid is the major rhizospheric compound with known growth regulatory activities. Hydrocinnamic acid is the major rhizospheric compound with known growth regulatory activities.
Tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylicacid (7CI)
3-Cyclopropyl-1-methyl-1H-pyrazole-4-carboxaldehyde
2H-Cyclopenta[b]pyridin-2-one,4-amino-1,5,6,7-tetrahydro-(9CI)
3-(5-Amino-3-methyl-1H-pyrazol-1-yl)propanenitrile
(7aS)-4,7a-Dimethyl-5,6,7,7a-tetrahydroindan-1,5-dione
Pyrrolo[1,2-c]pyrimidin-1(5H)-one,6,7-dihydro-3-methyl-
1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine, 1-methyl- (9CI)
2-METHYL-3,5,6,7-TETRAHYDRO-CYCLOPENTAPYRIMIDIN-4-ONE
[1,2,4]Triazolo[1,5-a]pyrazin-8(7H)-one,hydrazone(9CI)
1H-Pyrazole-4-carbonitrile,3-amino-1-(1-methylethyl)-
1-(AZETIDIN-3-YL)-N,N-DIMETHYLMETHANAMINE HYDROCHLORIDE
1H-Imidazole-4-carbonitrile,5-(ethylamino)-1-methyl-(9CI)
4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde
1H-Imidazole-4-carbonitrile,5-amino-2-(1-methylethyl)-(9CI)
Pyrido[4,3-e]-1,2,4-triazine, 5,6,7,8-tetrahydro-3-methyl- (9CI)
Tetracyclo[3.2.0.02,7.04,6]heptane-1-carboxylic acid, methyl ester (8CI,9CI)
Tetracyclo[3.2.0.02,7.04,6]heptane-3-carboxylic acid, methyl ester (9CI)
Tetracyclo[3.2.0.02,7.04,6]heptane-1-carboxylic acid, 5-methyl- (9CI)
5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
2,4-Dimethylbenzoic acid
A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 4.
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde
4-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
LS-2530
2-Methoxy-4-vinylphenol (2M4VP), a naturally Germination inhibitor, exerts potent anti-inflammatory effects[1][2]. 2-Methoxy-4-vinylphenol (2M4VP), a naturally Germination inhibitor, exerts potent anti-inflammatory effects[1][2].
AI3-01996
Benzyl acetate is a constituent of jasmin and of the essential oils of ylang-ylang and neroli. Natural sources of Benzyl acetate include varieties of flowers like jasmine (Jasminum), and fruits like pear, apple[1]. Benzyl acetate is a constituent of jasmin and of the essential oils of ylang-ylang and neroli. Natural sources of Benzyl acetate include varieties of flowers like jasmine (Jasminum), and fruits like pear, apple[1].
875-59-2
4′-Hydroxy-2′-methylacetophenone, an aroma compound of red wines, is isolated from cv. Bobal grape variety. 4′-Hydroxy-2′-methylacetophenone has ciliate toxicity. 4′-Hydroxy-2′-methylacetophenone inhibits the growth of T. pyriformis, with an IC50 of 0.65 mM[1][2]. 4′-Hydroxy-2′-methylacetophenone, an aroma compound of red wines, is isolated from cv. Bobal grape variety. 4′-Hydroxy-2′-methylacetophenone has ciliate toxicity. 4′-Hydroxy-2′-methylacetophenone inhibits the growth of T. pyriformis, with an IC50 of 0.65 mM[1][2].
876-02-8
4'-Hydroxy-3'-methylacetophenone, a phenolic volatile compound, is isolated from Hawaiian green coffee beans (Coffea Arabica L.). 4'-Hydroxy-3'-methylacetophenone has potent antioxidant activities. 4'-Hydroxy-3'-methylacetophenone also can be used to synthesize heterocyclic compounds which have antimycobacterial activity[1][2]. 4'-Hydroxy-3'-methylacetophenone, a phenolic volatile compound, is isolated from Hawaiian green coffee beans (Coffea Arabica L.). 4'-Hydroxy-3'-methylacetophenone has potent antioxidant activities. 4'-Hydroxy-3'-methylacetophenone also can be used to synthesize heterocyclic compounds which have antimycobacterial activity[1][2].
Triethylene glycol
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Hydratropic acid
A 2-arylpropionic acid carrying a phenyl group at position 2. It is a metabolite of alpha-methylstyrene (AMS), a volatile hydrocarbon.
ETHYL BENZOATE
A benzoate ester obtained by condensation of benzoic acid and ethanol. It is a volatile oil component found in ripe kiwifruit, cranberry juice, and palm kernel oil.
o-Acetyl-p-cresol
2'-Hydroxy-5'-methylacetophenone belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
2,6-Diaminopurine
D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one
(R)-phenylacetylcarbinol
A 1-hydroxy-1-phenylpropan-2-one that has (R)-configuration. It is used as a precursor for the production of ephedrine and pseudoephedrine.
4-Hydroxycinnamyl alcohol
A primary alcohol being cinnamyl alcohol hydroxylated at C-4 of the phenyl ring.
2- methoxy—vinylphenol
{"Ingredient_id": "HBIN005928","Ingredient_name": "2- methoxy\u2014vinylphenol","Alias": "NA","Ingredient_formula": "C9H10O2","Ingredient_Smile": "COC1=C(C=CC(=C1)C=C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34881","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2S,3R,4S,5R)-hexane-2,3,4,5-tetrol
{"Ingredient_id": "HBIN006646","Ingredient_name": "(2S,3R,4S,5R)-hexane-2,3,4,5-tetrol","Alias": "NA","Ingredient_formula": "C6H14O4","Ingredient_Smile": "NA","Ingredient_weight": "150.17","OB_score": "46.38098846","CAS_id": "17169-76-5","SymMap_id": "SMIT11343","TCMID_id": "NA","TCMSP_id": "MOL010284","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
allylpyrocatechol
{"Ingredient_id": "HBIN015266","Ingredient_name": "allylpyrocatechol","Alias": "NA","Ingredient_formula": "C9H10O2","Ingredient_Smile": "C=CCC1=C(C(=CC=C1)O)O","Ingredient_weight": "150.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "955","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "292101","DrugBank_id": "NA"}
