Exact Mass: 142.0855
Exact Mass Matches: 142.0855
Found 500 metabolites which its exact mass value is equals to given mass value 142.0855,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ectoine
Ectoine belongs to the class of organic compounds known as alpha-amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Ectoine has been identified in urine (PMID: 22409530). CONFIDENCE standard compound; ML_ID 37 C26170 - Protective Agent KEIO_ID E011 Ectoine is a natural cell protectant, an amino acid derivate produced by bacteria living under extremely harsh environmental conditions. Ectoine serves as an osmoregulatory compatible solute, increasing the hydration of the skin surface and stabilizing lipid layers, which is useful in skincare. Ectoine demonstrates a good safety profile for the treatment of allergic rhinitis[1][2].
Cyclohexyl acetate
Cyclohexyl acetate, also known as adronal acetate, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Cyclohexyl acetate is a sweet, ethereal, and fruity tasting compound. Cyclohexyl acetate has been detected, but not quantified, in several different foods, such as brassicas, onion-family vegetables, pulses, and soy beans. Cyclohexyl acetate is a flavouring agent. It is found in many foods, some of which are pulses, soy bean, brassicas, and onion-family vegetables.
2-METHYLNAPHTHALENE
2-methylnaphthalene, also known as 2-methylnaphthalene, lithium salt, ion(1-) or 2-methylnaphthalene, naphthalene-1-(13)c-labeled, is a member of the class of compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 2-methylnaphthalene can be found in corn, which makes 2-methylnaphthalene a potential biomarker for the consumption of this food product. 2-methylnaphthalene is potentially toxic compound. On February 22, 2014, NASA announced a greatly upgraded database for detecting and monitoring PAHs, including 2-methylnaphthalene, in the universe. According to NASA scientists, over 20\\% of the carbon in the universe may be associated with PAHs, possible starting materials for the formation of life. PAHs seem to have been formed shortly after the Big Bang, are abundant in the universe, and are associated with new stars and exoplanets . Acute exposure to PAHs causes irritation and inflammation of the skin and lung tissue. Some symptoms of hemolytic anemia are fatigue, lack of appetite, restlessness, and pale skin. Exposure to large amounts of 2-methylnapthalene may also cause nausea, vomiting, diarrhea, blood in the urine, and a yellow color to the skin (A10, L12).
4-ene-Valproic acid
4-ene-Valproic acid is only found in individuals that have used or taken Valproic Acid. 4-ene-Valproic acid is a metabolite of Valproic Acid. 4-ene-valproic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain. D009676 - Noxae > D013723 - Teratogens
2-ene-Valproic acid
2-ene-Valproic acid is only found in individuals that have used or taken Valproic Acid.2-ene-Valproic acid is a metabolite of Valproic Acid. 2-ene-valproic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain. D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D009676 - Noxae > D013723 - Teratogens
(3Z)-2-Propylpent-3-enoic acid
(3Z)-2-Propylpent-3-enoic acid is only found in individuals that have used or taken Valproic Acid. (3Z)-2-Propylpent-3-enoic acid is a metabolite of Valproic Acid. (3z)-2-propylpent-3-enoic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
2-Propenyl 3-methylbutanoate
2-Propenyl 3-methylbutanoate, also known as allyl isovalerate or 2-propenyl isopentanoate, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. 2-Propenyl 3-methylbutanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2-Propenyl 3-methylbutanoate is a potentially toxic compound. Flavouring ingredient
1-Methylnaphthalene
1-Methylnaphthalene is found in black walnut. 1-Methylnaphthalene is a flavouring ingredient. Flavouring ingredient. 1-Methylnaphthalene is found in black walnut.
cis-3-Hexenyl acetate
cis-3-Hexenyl acetate, also known as (Z)-3-hexenol acetic acid or acetate(3Z)-3-hexen-1-ol, is an acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol. It has a role as a metabolite. It is an acetate ester and an olefinic compound. It derives from a (Z)-hex-3-en-1-ol and an acetic acid. It belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). cis-3-Hexenyl acetate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. cis-3-Hexenyl acetate is a sweet, apple, and banana tasting compound. cis-3-Hexenyl acetate has been detected, but not quantified, in several different foods, such as tamarinds, sunburst squash (pattypan squash), carobs, pepper (Capsicum baccatum), and swedes. Present in green tea and fruit volatiles. Flavouring component. cis-3-Hexenyl acetate is found in many foods, some of which are skunk currant, spirulina, dill, and green vegetables.
2-Hexenyl acetate
2-Hexenyl acetate is found in fruits. 2-Hexenyl acetate is found in strawberry (Fragaria) and other fruits and essential oils. 2-Hexenyl acetate is used in artificial fruit flavours. Found in strawberry (Fragaria) and other fruits and essential oils. It is used in artificial fruit flavours
Ethyl 2-methyl-3-pentenoate
Ethyl 2-methyl-3-pentenoate is a flavouring agent. Flavouring agent
Mesifurane
Mesifurane is found in fruits. Mesifurane is a constituent of various fruits including raspberry, strawberry, mango, pineapple, blackberry and cape gooseberry. Mesifurane is a flavouring agent Constituent of various fruits including raspberry, strawberry, mango, pineapple, blackberry and cape gooseberry. Flavouring agent. Mesifurane is found in fruits.
2-Octenoic acid
2-Octenoic acid, also known as 2-octenoate, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 2-Octenoic acid has 8 carbon atoms. 2-Octenoic acid is also known as an olefinic fatty acid carrying a double bond at position 2. It can exist in two isomeric forms, the cis and the trans form, with the trans or 2-E form being more abundant. 2-Octenoic acid is a relatively hydrophobic molecule with a water solubility of approximately 1 g/L. The 2E-isomer has a musty, sour, cheesy aroma and a fatty or waxy taste. 2-Octenoic acid is found in the human body and is naturally produced by hepatic microsomal oxidation of aliphatic aldehydes. 2-Octenoic acid has been detected in human urine and plasma (PMID 1883862, 8087979, 4086594, 1417834, 6480773). 2-Octenoic acid has also been identified as a potential pheromone excreted by the male abdominal glands of the cockroach Leucophaea maderae (PMID: 17200891). Outside the human body 2-Octenoic acid has been detected in coffee, cranberries, mushrooms, black tea and strawberries. It is also used as a food flavourant for baked goods and candies. 2-Octenoic acid is a normal organic acid produced by hepatic microsomal oxidation of aliphatic aldehydes and is a metabolite naturally found in the urine and plasma. (PMID 1883862, 8087979, 4086594, 1417834, 6480773) [HMDB]
trans-3-Hexenyl acetate
trans-3-Hexenyl acetate 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 .
2,3-Octanedione
2,3-Octanedione is found in coffee and coffee products. 2,3-Octanedione is a flavouring material for coffe Flavouring material for coffee. 2,3-Octanedione is found in coffee and coffee products and rosemary.
5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
5-Ethylsotolone is produced in protein hydrolysates. Flavouring for foodstuffs
(E)-4-Octenoic acid
(E)-4-Octenoic acid 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
Erinapyrone B
Erinapyrone B is found in mushrooms. Erinapyrone B is isolated from Hericium erinaceum (lions mane). Isolated from Hericium erinaceum (lions mane). Erinapyrone B is found in mushrooms.
Homofureanol
Volatile flavour and aroma component of Japanese style soya sauce (shoyu) and fermented soya bean paste (miso). Antioxidant. Isolated from Theobroma grandiforum (cupuassu). Homofureanol is found in many foods, some of which are american cranberry, barley, wild rice, and grass pea. Homofureanol is found in fruits. Homofureanol is a volatile flavour and aroma component of Japanese style soya sauce (shoyu) and fermented soya bean paste (miso). Antioxidant. It is isolated from Theobroma grandiforum (cupuassu).
Ethyl trans-2-methyl-2-pentenoate
Ethyl trans-2-methyl-2-pentenoate 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 .
Cyclohexaneacetic acid
Cyclohexaneacetic acid is a flavouring ingredien Flavouring ingredient Cyclohexaneacetic acid is an endogenous metabolite.
Erinapyrone A
Erinapyrone A is found in mushrooms. Erinapyrone A is isolated from Hericium erinaceum (lions mane). Isolated from Hericium erinaceum (lions mane). Erinapyrone A is found in mushrooms.
Methyl cyclohexanecarboxylate
Methyl cyclohexanecarboxylate is a flavouring ingredien Flavouring ingredient Methyl cyclohexanecarboxylate is an endogenous metabolite.
4-Butyl-gamma-butyrolactone
Present in apricots, peaches and other fruits. Flavouring ingredient [DFC]. 4-Butyl-gamma-butyrolactone is found in many foods, some of which are peach, bilberry, papaya, and pineapple. 4-Butyl-gamma-butyrolactone is found in bilberry. 4-Butyl-gamma-butyrolactone is present in apricots, peaches and other fruits. 4-Butyl-gamma-butyrolactone is a flavouring ingredien
xi-Tetrahydro-6-propyl-2H-pyran-2-one
xi-Tetrahydro-6-propyl-2H-pyran-2-one belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. xi-Tetrahydro-6-propyl-2H-pyran-2-one is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, XI-tetrahydro-6-propyl-2H-pyran-2-one is considered to be a fatty ester lipid molecule. xi-Tetrahydro-6-propyl-2H-pyran-2-one has been detected, but not quantified, in fats and oils and fruits. This could make XI-tetrahydro-6-propyl-2H-pyran-2-one a potential biomarker for the consumption of these foods. It is used in food flavouring. Isolated from many substances including coconut and butter oils, fruits (e.g. strawberry, pineapple) and cooked meats. xi-Tetrahydro-6-propyl-2H-pyran-2-one is found in fats and oils, animal foods, and fruits.
trans-2-Octenoic acid
trans-2-Octenoic acid or (2E)-oct-2-enoic acid is an olefinic fatty acid that is octanoic acid carrying a double bond at position 2 (the 2E-isomer). It has a role as an animal metabolite. It is a medium-chain fatty acid, a monounsaturated fatty acid, a straight-chain fatty acid and an olefinic fatty acid. It is a conjugate acid of a (2E)-oct-2-enoate. Food flavourant for baked goods and candies (E)-Oct-2-enoic acid is an endogenous metabolite. (E)-Oct-2-enoic acid is an endogenous metabolite.
(3E)-2-Propylpent-3-enoic acid
(3E)-2-Propylpent-3-enoic acid is only found in individuals that have used or taken Valproic Acid. (3E)-2-Propylpent-3-enoic acid is a metabolite of Valproic Acid. (3e)-2-propylpent-3-enoic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
Ethyl (±)-2-methyl-4-pentenoate
Ethyl (±)-2-methyl-4-pentenoate is a flavouring agent Flavouring agent
Allyl valerate
Allyl valerate 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 .
cis-5-Octenoic acid
Cis-5-octenoic acid, also known as cis-5-octenoate, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Thus, cis-5-octenoic acid is considered to be a fatty acid lipid molecule. Cis-5-octenoic acid is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cis-5-octenoic acid has a fatty and greasy taste. cis-5-Octenoic acid is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Ethyl (E)-3-hexenoate
Ethyl (E)-3-hexenoate is found in fruits. Ethyl (E)-3-hexenoate is present in melon, yellow and purple passion fruits, quince, Chinese quince, prickly pear, kiwi fruit and Mexican breadfruit (Monstera deliciosa). Ethyl (E)-3-hexenoate is a flavouring agent. Present in melon, yellow and purple passion fruits, quince, Chinese quince, prickly pear, kiwi fruit and Mexican breadfruit (Monstera deliciosa). Flavouring agent. Ethyl (E)-3-hexenoate is found in fruits.
Ethyl 5-hexenoate
Ethyl 5-hexenoate 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 .
Ethyl 2E-hexenoate
Ethyl 2E-hexenoate is a flavouring agent. It is used as a food additive .
2-Methylpropyl (2E)-butenoate
2-Methylpropyl (2E)-butenoate is a flavouring ingredien Flavouring ingredient
2-Methylallyl butyrate
2-Methylallyl butyrate is a flavouring ingredien Flavouring ingredient
Isopropyl tiglate
Isopropyl tiglate is a flavouring ingredient. Flavouring ingredient
xi-Tetrahydro-3-propyl-2H-pyran-2-one
xi-Tetrahydro-3-propyl-2H-pyran-2-one is found in fruits. xi-Tetrahydro-3-propyl-2H-pyran-2-one is detected in date aroma (Phoenix dactylifera). Detected in date aroma (Phoenix dactylifera). xi-Tetrahydro-3-propyl-2H-pyran-2-one is found in fruits.
Methyl 2-heptenoate
Methyl 2-heptenoate is found in alcoholic beverages. Both (E)- and (Z)-forms present in wine and pomace from Muscat de Frontignan grapes. Both (E)- and (Z)-forms present in wine and pomace from Muscat de Frontignan grapes. Methyl 2-heptenoate is found in alcoholic beverages.
Ethyl-3-hexanoate
Ethyl-3-hexanoate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.
Piracetam
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents Piracetam (UCB-6215) is a cyclic derivative of the neurotransmitter gamma-aminobutyric acid (GABA), used in treatment of a wide range of cognitive disorders.
Hex-trans-2-enyl acetate
Hex-trans-2-enyl acetate is a member of the class of compounds known as carboxylic acid esters. Carboxylic acid esters are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Hex-trans-2-enyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Hex-trans-2-enyl acetate can be found in tea, which makes hex-trans-2-enyl acetate a potential biomarker for the consumption of this food product.
Propyl angelate
Propyl angelate, also known as propyl angelic acid, is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Propyl angelate is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Propyl angelate can be found in roman camomile, which makes propyl angelate a potential biomarker for the consumption of this food product.
ethyl-4-hydroxymethyl- 3(2H)-Furanone
Flavouring compound [Flavornet]
5-ethyl-4-hydroxy-2-methyl-3(2H)-furanone
Flavouring compound [Flavornet]
piracetam
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3076 Piracetam (UCB-6215) is a cyclic derivative of the neurotransmitter gamma-aminobutyric acid (GABA), used in treatment of a wide range of cognitive disorders.
Undeca-1,3t,9t-trien-5,7-diin|undeca-1,3t,9t-triene-5,7-diyne
(+)-dihydroepiepoformin|(2R,3R,4S,6R)-2,3-epoxy-4-hydroxy-6-methylcyclohexan-1-one|(2R,3R,4S,6R)-2,3-epoxy-4-hydroxy-6-methylcyclohexanone|Dihydroepiepoformin
(R)-4-hydroxy-3-((S)-1-hydroxyethyl)cyclopent-2-enone|trichodermone A
1-Undecene-5,7,9-triyne|undec-1-ene-5,7,9-triyne|Undecaen-(1)-triin-(5,7,9)
2-Octenoic acid
(E)-Oct-2-enoic acid is an endogenous metabolite. (E)-Oct-2-enoic acid is an endogenous metabolite.
ectoine
C26170 - Protective Agent Ectoine is a natural cell protectant, an amino acid derivate produced by bacteria living under extremely harsh environmental conditions. Ectoine serves as an osmoregulatory compatible solute, increasing the hydration of the skin surface and stabilizing lipid layers, which is useful in skincare. Ectoine demonstrates a good safety profile for the treatment of allergic rhinitis[1][2].
Trans-2-octenoic acid
2-octenoic acid, also known as (E)-2-octenoate or trans-alpha-octenoic acid, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Thus, 2-octenoic acid is considered to be a fatty acid lipid molecule. 2-octenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Within the cell, 2-octenoic acid is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. 2-octenoic acid exists in all eukaryotes, ranging from yeast to humans. In humans, 2-octenoic acid is involved in the fatty acid biosynthesis. (E)-Oct-2-enoic acid is an endogenous metabolite. (E)-Oct-2-enoic acid is an endogenous metabolite.
5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
A natural product found particularly in Rubus idaeus and Saccharum officinarum.
2-METHYL-4,5-DIHYDRO-FURAN-3-CARBOXYLIC ACID METHYL ESTER
4-(HYDRAZINOMETHYLIDENE)-2-METHYLTETRAHYDROFURAN-3-ONE
1H-Imidazole-4-carboxylicacid,4,5-dihydro-4-methyl-,methylester,(S)-(9CI)
4-(2-HYDROXYETHYL)-5-METHYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
2-hydrazinyl-2,3-dihydro-6-methylpyrimidin-4(1H)-one
1-Cyclopentene-1-carboxylic acid, 2-(hydroxymethyl)- (8CI,9CI)
3-Octenoic Acid
3-octenoic acid, also known as 3-octenoate, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 3-octenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-octenoic acid is a fatty and oily tasting compound found in burdock, which makes 3-octenoic acid a potential biomarker for the consumption of this food product.
4-Amino-2,4-dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one
CYCLOPROPANECARBOXYLIC ACID, 1-FORMYL-, ETHYL ESTER
Pyrimidine, 5-amino-4-fluoro-6-(methylamino)- (7CI,8CI)
3-Oxabicyclo[3.1.0]hexane-6-carboxylicacid,methylester(7CI)
4-CYCLOPROPYL-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-AMINE
4-(2-hydroxyethyl)-5-methyl-2,4-dihydropyrazol-3-one
L-histidinol(1+)
An ammonium ion that is the conjugate acid of L-histidinol arising from protonation of the primary amino function; major species at pH 7.3.
O5209_ALDRICH
(E)-Oct-2-enoic acid is an endogenous metabolite. (E)-Oct-2-enoic acid is an endogenous metabolite.
(6S)-2-methyl-3,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylate
2-enevalproic acid
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D009676 - Noxae > D013723 - Teratogens
3-methyl-4-{[(1Z)-prop-1-en-1-yl]oxy}butanal
An olefinic compound that is butanal substituted by a methyl group at position 3 and a [(1Z)-prop-1-en-1-yl]oxy group at position 4 respectively.
Methylnaphthalene
A methylnaphthalene carrying a methyl substituent at position 1.
2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone
A member of the class of furans that is furan-3(2H)-one carrying additional ethyl, hydroxy and methyl substituents at positions 2, 4 and 5 respectively. A key aroma compound in soy sauce and fish sauce.
GAMMA-OCTALACTONE
A gamma-lactone that is oxolan-2-one substituted by a butyl group at position 5. It is a volatile compound found in peaches, mangoes, beef and ham.
Methyl cyclohexanoate
A methyl ester resulting from the formal condensation of the carboxy group of cyclohexanecarboxylic acid with methanol. Methyl cyclohexanecarboxylate is an endogenous metabolite.
(3Z)-Hex-3-en-1-yl acetate
An acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol.
(e)-Hex-2-enyl acetate
An acetate ester resulting from the formal condensation of the hydroxy group of (E)-hex-2-en-1-ol with the carboxy group of acetic acid.
(5Z)-5-Octenoic acid
An olefinic fatty acid that is octanoic acid carrying a double bond at position 5 (the 5Z-isomer).
(2E)-Oct-2-enoic acid
An olefinic fatty acid that is octanoic acid carrying a double bond at position 2 (the 2E-isomer).
4-Butyl-gamma-butyrolactone
A butan-4-olide that is gamma-butyrolactone substituted by a butyl group at position 4.
(2s)-5-imino-1-methylpyrrolidine-2-carboxylic acid
(1s,2r,5s,6r)-3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
1,4-dihydro-1,4-methanonaphthalene
{"Ingredient_id": "HBIN001426","Ingredient_name": "1,4-dihydro-1,4-methanonaphthalene","Alias": "NA","Ingredient_formula": "C11H10","Ingredient_Smile": "C1C2C=CC1C3=CC=CC=C23","Ingredient_weight": "142.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40685","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "97391","DrugBank_id": "NA"}
1H-Benzocycloheptene
{"Ingredient_id": "HBIN002555","Ingredient_name": "1H-Benzocycloheptene","Alias": "NA","Ingredient_formula": "C11H10","Ingredient_Smile": "C1C=CC=C2C1=CC=CC=C2","Ingredient_weight": "142.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38217","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21319341","DrugBank_id": "NA"}
2,5-Dimethyl-1,5-hexadiene-3,4-diol
{"Ingredient_id": "HBIN004647","Ingredient_name": "2,5-Dimethyl-1,5-hexadiene-3,4-diol","Alias": "NA","Ingredient_formula": "C8H14O2","Ingredient_Smile": "CC(=C)C(C(C(=C)C)O)O","Ingredient_weight": "142.2 g/mol","OB_score": "14.82313282","CAS_id": "1031361","SymMap_id": "SMIT05975","TCMID_id": "NA","TCMSP_id": "MOL003982","TCM_ID_id": "NA","PubChem_id": "263169","DrugBank_id": "NA"}
