Exact Mass: 178.0805
Exact Mass Matches: 178.0805
Found 500 metabolites which its exact mass value is equals to given mass value 178.0805,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
ANTHRACENE
Anthracene, also known as anthrazen or anthracene, sodium salt, ion (1-), is a member of the class of compounds known as anthracenes. Anthracenes are organic compounds containing a system of three linearly fused benzene rings. Anthracene can be found in sorrel, which makes anthracene a potential biomarker for the consumption of this food product. Anthracene is formally rated as an unfounded non-carcinogenic (IARC 3) potentially toxic compound. Anthracene is a solid polycyclic aromatic hydrocarbon (PAH) of formula C14H10, consisting of three fused benzene rings. It is a component of coal tar. Anthracene is used in the production of the red dye alizarin and other dyes. Anthracene is colorless but exhibits a blue (400-500 nm peak) fluorescence under ultraviolet radiation . PAHs are carcinogens and have been associated with the increased risk of skin, respiratory tract, bladder, stomach, and kidney cancers. They may also cause reproductive effects and depress the immune system (L10) (T3DB).
Phenanthrene
Phenanthrene is a polycyclic aromatic hydrocarbon (PAH) and has been frequently used as an indicator for monitoring PAH contaminated matrices[1]. Phenanthrene induces oxidative stress and inflammation[2].
Phenacemide
Phenacemide, also known as phenurone or carbamide phenylacetate, is a member of the class of compounds known as phenylacetamides. Phenylacetamides are amide derivatives of phenylacetic acids. Phenacemide is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Phenacemide can be found in fenugreek, which makes phenacemide a potential biomarker for the consumption of this food product. Phenacemide can be found primarily in blood and urine. Phenacemide is a non-carcinogenic (not listed by IARC) potentially toxic compound. Phenacemide is a drug which is used to control certain seizures in the treatment of epilepsy. Phenacemide is only found in individuals that have used or taken this drug. It is used to control certain seizures in the treatment of epilepsy. This medicine acts on the central nervous system (CNS) to reduce the number and severity of seizures. Phenacemide binds to and blocks neuronal sodium channels or voltage sensitive calcium channels. This blocks or suppresses neuronal depolarization and hypersynchronization. Hypersynchronization is what often causes seizures. C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics
2-O-Methyl-L-fucose
2-O-Methyl-L-fucose (CAS: 34299-00-8) is found in fruits. 2-O-Methyl-L-fucose is present in plant polysaccharides, e.g. of Prunus domestica (plum). Present in plant polysaccharides, e.g. of Prunus domestica (plum). 2-O-Methyl-L-fucose is found in fruits.
(S)-Isosclerone
(S)-Isosclerone is found in nuts. (S)-Isosclerone is a constituent of Juglans regia (walnut). Constituent of Juglans regia (walnut). (S)-Isosclerone is found in nuts.
3-(4-Hydroxy-2-methoxyphenyl)-2-propenal
3-(4-Hydroxy-2-methoxyphenyl)-2-propenal is found in fats and oils. 3-(4-Hydroxy-2-methoxyphenyl)-2-propenal is a constituent of sunflower and vanilla. Constituent of sunflower and vanilla. 3-(4-Hydroxy-2-methoxyphenyl)-2-propenal is found in fats and oils and herbs and spices.
(Z)-10-Hydroxy-8-decene-4,6-diynoic acid
(Z)-10-Hydroxy-8-decene-4,6-diynoic acid is found in mushrooms. (Z)-10-Hydroxy-8-decene-4,6-diynoic acid is a constituent of Fistulina hepatica (beefsteak fungus)
4-Oxo-4-(3-pyridyl)-butanamide
4-(3-pyridyl)-4-oxobutyramide (POBAM) is a metabolite of nicotine and cotinine degradation. (PMID: 9512938, 13872096) [HMDB] 4-(3-pyridyl)-4-oxobutyramide (POBAM) is a metabolite of nicotine and cotinine degradation. (PMID: 9512938, 13872096).
BOX B
BOX B is produced by bilirubin oxidation, a heme-derived compound. BOXes are produced as a mixture of isomers, and may be involved in cerebral vasospasm. BOXes are subject of interest in the neurosurgical and neurological fields because of their correlation with and/or role in subarachnoid hemorrhage induced cerebral vasospasm. Subarachnoid hemorrhage (SAH) induces cerebral vasospasm that can lead to ischemic injury or death and is a common complication of SAH. BOX B can be found in cerebrospinal fluid in SAH. (PMID: 17981669) [HMDB] BOX B is produced by bilirubin oxidation, a heme-derived compound. BOXes are produced as a mixture of isomers, and may be involved in cerebral vasospasm. BOXes are subject of interest in the neurosurgical and neurological fields because of their correlation with and/or role in subarachnoid hemorrhage induced cerebral vasospasm. Subarachnoid hemorrhage (SAH) induces cerebral vasospasm that can lead to ischemic injury or death and is a common complication of SAH. BOX B can be found in cerebrospinal fluid in SAH. (PMID: 17981669).
BOX A
BOX A is produced by bilirubin oxidation, a heme-derived compound. BOXes are produced as a mixture of isomers, and may be involved in cerebral vasospasm. BOXes are subject of interest in the neurosurgical and neurological fields because of their correlation with and/or role in subarachnoid hemorrhage induced cerebral vasospasm. Subarachnoid hemorrhage (SAH) induces cerebral vasospasm that can lead to ischemic injury or death and is a common complication of SAH. BOX A can be found in cerebrospinal fluid in SAH. (PMID: 17981669) [HMDB] BOX A is produced by bilirubin oxidation, a heme-derived compound. BOXes are produced as a mixture of isomers, and may be involved in cerebral vasospasm. BOXes are subject of interest in the neurosurgical and neurological fields because of their correlation with and/or role in subarachnoid hemorrhage induced cerebral vasospasm. Subarachnoid hemorrhage (SAH) induces cerebral vasospasm that can lead to ischemic injury or death and is a common complication of SAH. BOX A can be found in cerebrospinal fluid in SAH. (PMID: 17981669).
Dibutyl disulfide
Dibutyl disulfide is found in green vegetables. Dibutyl disulfide is a constituent of Ferula assa-foetida (asafoetida)
3-(4-Methylphenyl)oxiranecarboxylic acid
Esters used in perfumery and flavourin
2,12-Tetradecadiene-4,6,8,10-tetrayne
Isolated from Triticum aestivum (wheat). 2,12-Tetradecadiene-4,6,8,10-tetrayne is found in wheat. 2,12-Tetradecadiene-4,6,8,10-tetrayne is isolated from Triticum aestivum (wheat).
Di-alpha-furfuryl ether
Di-alpha-furfuryl ether is a flavouring ingredient. Flavouring ingredient
(E)-10-Hydroxy-2-decene-4,6-diynoic acid
(E)-10-Hydroxy-2-decene-4,6-diynoic acid is found in mushrooms. (E)-10-Hydroxy-2-decene-4,6-diynoic acid is a food lipid.
1,8-Octanedithiol
1,8-Octanedithiol is a flavouring material for soups and meat products. Flavouring material for soups and meat products
Ethyl Phenylglyoxylate
Ethyl Phenylglyoxylate, also known as Ethyl 2-oxo-2-phenylacetate or Ethyl benzoylformate, is classified as a benzoyl derivative or a Benzoyl derivative derivative. Benzoyl derivatives are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). Ethyl Phenylglyoxylate is considered to be practically insoluble (in water) and basic
(Z)-p-Methoxycinnamic acid
4-Methoxycinnamic acid is detected as natural phenylpropanoid in A. preissii. 4-Methoxycinnamic acid is detected as natural phenylpropanoid in A. preissii.
Mellein
Mellein, also known as (R)-mellein, is a member of the class of compounds known as 2-benzopyrans. 2-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 2-position. Mellein is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Mellein can be found in cocoa powder, which makes mellein a potential biomarker for the consumption of this food product. Mellein is a dihydroisocoumarin, a phenolic compound produced by Aspergillus ochraceus .
Methyl p-coumarate
Methyl p-coumarate, also known as 4-coumaric acid methyl ester, is a member of the class of compounds known as coumaric acid esters. Coumaric acid esters are aromatic compounds containing an ester derivative of coumaric acid. Methyl p-coumarate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Methyl p-coumarate can be found in bamboo shoots and garden onion, which makes methyl p-coumarate a potential biomarker for the consumption of these food products. Methyl p-coumarate (Methyl 4-hydroxycinnamate), an esterified derivative of p-Coumaric acid (pCA), is isolated from the flower of Trixis michuacana var longifolia. Methyl p-coumarate could inhibit the melanin formation in B16 mouse melanoma cells. Methyl p-coumarate also has strong in vitro inhibitory effect on A. alternata and other pathogens[1][2]. Methyl p-coumarate (Methyl 4-hydroxycinnamate), an esterified derivative of p-Coumaric acid (pCA), is isolated from the flower of Trixis michuacana var longifolia. Methyl p-coumarate could inhibit the melanin formation in B16 mouse melanoma cells. Methyl p-coumarate also has strong in vitro inhibitory effect on A. alternata and other pathogens[1][2].
trans-2-Methoxycinnamic acid
Trans-2-methoxycinnamic acid is a member of the class of compounds known as coumaric acids. Coumaric acids are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Trans-2-methoxycinnamic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Trans-2-methoxycinnamic acid can be found in chinese cinnamon, which makes trans-2-methoxycinnamic acid a potential biomarker for the consumption of this food product. 2-Methoxycinnamic acid is a noncompetitive inhibitor of tyrosinase[1]. 2-Methoxycinnamic acid is a noncompetitive inhibitor of tyrosinase[1].
pCAME
4-coumaric acid methyl ester is a cinnamate ester that is the methyl ester of 4-coumaric acid. It has a role as a melanin synthesis inhibitor, a fungal metabolite, an anti-inflammatory agent, an antifungal agent and a plant metabolite. It is a cinnamate ester, a member of phenols and a methyl ester. It is functionally related to a 4-coumaric acid. Methyl 4-hydroxycinnamate is a natural product found in Alpinia blepharocalyx, Grevillea robusta, and other organisms with data available. (E)-Methyl 4-coumarate (Methyl 4-hydroxycinnamate), found in several plants, such as Allium cepa or Morinda citrifolia L. leaves. (E)-Methyl 4-coumarate cooperates with Carnosic Acid in inducing apoptosis and killing acute myeloid leukemia cells, but not normal peripheral blood mononuclear cells. Antioxidant and antimicrobial activity. (E)-Methyl 4-coumarate (Methyl 4-hydroxycinnamate), found in several plants, such as Allium cepa or Morinda citrifolia L. leaves. (E)-Methyl 4-coumarate cooperates with Carnosic Acid in inducing apoptosis and killing acute myeloid leukemia cells, but not normal peripheral blood mononuclear cells. Antioxidant and antimicrobial activity. Methyl p-coumarate (Methyl 4-hydroxycinnamate), an esterified derivative of p-Coumaric acid (pCA), is isolated from the flower of Trixis michuacana var longifolia. Methyl p-coumarate could inhibit the melanin formation in B16 mouse melanoma cells. Methyl p-coumarate also has strong in vitro inhibitory effect on A. alternata and other pathogens[1][2]. Methyl p-coumarate (Methyl 4-hydroxycinnamate), an esterified derivative of p-Coumaric acid (pCA), is isolated from the flower of Trixis michuacana var longifolia. Methyl p-coumarate could inhibit the melanin formation in B16 mouse melanoma cells. Methyl p-coumarate also has strong in vitro inhibitory effect on A. alternata and other pathogens[1][2].
(E)-Methyl-4-hydroxycinnamate
(E)-Methyl 4-coumarate (Methyl 4-hydroxycinnamate), found in several plants, such as Allium cepa or Morinda citrifolia L. leaves. (E)-Methyl 4-coumarate cooperates with Carnosic Acid in inducing apoptosis and killing acute myeloid leukemia cells, but not normal peripheral blood mononuclear cells. Antioxidant and antimicrobial activity. (E)-Methyl 4-coumarate (Methyl 4-hydroxycinnamate), found in several plants, such as Allium cepa or Morinda citrifolia L. leaves. (E)-Methyl 4-coumarate cooperates with Carnosic Acid in inducing apoptosis and killing acute myeloid leukemia cells, but not normal peripheral blood mononuclear cells. Antioxidant and antimicrobial activity.
2,3-Dihydro-6,7-dihydroxy-1H-indene-4-carboxaldehyde
coniferyl aldehyde
Annotation level-1 Coniferaldehyde (Ferulaldehyde) is an effective inducer of heme oxygenase-1 (HO-1). Coniferaldehyde exerts anti-inflammatory properties in response to LPS. Coniferaldehyde inhibits LPS-induced apoptosis through the PKCα/β II/Nrf-2/HO-1 dependent pathway in RAW264.7 macrophage cells[1]. Coniferaldehyde (Ferulaldehyde) is an effective inducer of heme oxygenase-1 (HO-1). Coniferaldehyde exerts anti-inflammatory properties in response to LPS. Coniferaldehyde inhibits LPS-induced apoptosis through the PKCα/β II/Nrf-2/HO-1 dependent pathway in RAW264.7 macrophage cells[1].
6-Deoxy-4-O-methylallose,9CI-D-form|6-Dexoy-3-O-methylmannose, 9CI,8CI
9-hydroxy-non-7t-ene-3,5-diynoic acid methyl ester|Methyl-9-hydroxy-non-trans-7-en-3,5-diinoat|trans-9-Hydroxy-non-7-en-3,5-diinsaeure-methylester
2,3-di-O-methyl-D-xylose|O2,O3-dimethyl-D-xylose|O2,O3-dimethyl-xi-D-xylopyranose
tetradeca-1,12-diene-4,6,8,10-tetrayne|Tetradecadien-(1,12)-tetrain-(4,6,8,10)
2,4-di-O-methyl-D-xylose|O2,O4-dimethyl-D-xylose|O2,O4-dimethyl-xi-D-xylopyranose
2,3-di-O-methylxylose|D-xylo-4,5-Dihydroxy-2,3-dimethoxy-valeraldehyd|O2,O3-Dimethyl-aldehydo-D-xylose|O2,O3-dimethyl-D-xylose
L-arabino-3,4-Dihydroxy-2,5-dimethoxy-valeraldehyd|O2,O5-dimethyl-L-arabinose
2,3-DIHYDRO-5-METHYL-7-TRIFLUORMETHYL-1H-1,4-DIAZEPINE
ENDO-BICYCLO[2.2.2]OCT-5-ENE-2,3-DICARBOXYLIC ANHYDRIDE
Methanimidic acid, N-(4-cyano-1-methyl-1H-pyrazol-5-yl)-,ethyl ester
2,2-dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one
5,6,7,8-tetrahydro-1,8-naphthyridine-2-carboxylic acid
Bicyclo<2.2.2>oct-2-ene-2,3-dicarboxylic anhydride
4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbaldehyde
3-Pyridinecarbonitrile,1,2-dihydro-4-(methoxymethyl)-6-methyl-2-oxo-
2-cyclopropyl-4-methylpyrimidine-5-carboxylic acid
(2S,3R,4S,5R,6R)-2-methoxy-6-methyloxane-3,4,5-triol
3-AMINO-2,3-DIHYDROBENZO[B][1,4]OXAZEPIN-4(5H)-ONE
1-Ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
N-[[5-(2-FURYL)ISOXAZOL-3-YL]METHYL]-N-METHYLAMINE
2H-Benzimidazol-2-one,1,3-dihydro-5-methoxy-1-methyl-(9CI)
4-cyano-5-Methyl-1H-Pyrrole-2-carboxylic acid ethyl ester
Pyrrolo[1,2-a]pyrazine-1,4-dione, 2,3,6,7-tetrahydro-2-methyl-3-methylene- (9CI)
1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine(SALTDATA: CH3SO3H)
Pyrrolo[1,2-a]pyrazine-6-carboxaldehyde, 1,2,3,4-tetrahydro-2-methyl-3-oxo- (9CI)
Ethanone,1-(4-amino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-
(Z)-3-(3-hydroxyphenyl)-2-methyl-prop-2-enoic acid
1H-Benzimidazole,1-hydroxy-6-methoxy-2-methyl-(9CI)
4-AMINO-6-(DIMETHYLAMINO)-1,3,5-TRIAZIN-2-YL]ACETONITRILE
3-amino-1-pyrrolidin-1-ylpropan-1-one,hydrochloride
1H-Imidazo[4,5-b]pyrazine,1,5,6-trimethyl-,4-oxide(9CI)
3-(3-aminophenyl)-1,3-oxazolidin-2-one(SALTDATA: FREE)
2-(methylamino)-1-pyrrolidin-1-ylethanone,hydrochloride
7-methyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde(SALTDATA: FREE)
(2E)-3-(4-Hydroxy-2-methylphenyl)-2-propenoic acid
1H-Benzimidazole,1-hydroxy-2-methoxy-5-methyl-(9CI)
Endostatin
D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors > D043165 - Angiostatic Proteins D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors > D043169 - Endostatins D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D006133 - Growth Substances > D006131 - Growth Inhibitors
p-MCA
(E)-3-(4-Methoxyphenyl)acrylic acid (compound 3) is isolated from Arachis hypogaea, Scrophularia buergeriana Miquel, Aquilegia vulgaris, Anigozanthos preissii and so on. (E)-3-(4-Methoxyphenyl)acrylic acid shows significant hepatoprotective activity, anti-amnesic, cognition-enhancing activity, antihyperglycemic, and neuroprotective activities[1]. (E)-3-(4-Methoxyphenyl)acrylic acid (compound 3) is isolated from Arachis hypogaea, Scrophularia buergeriana Miquel, Aquilegia vulgaris, Anigozanthos preissii and so on. (E)-3-(4-Methoxyphenyl)acrylic acid shows significant hepatoprotective activity, anti-amnesic, cognition-enhancing activity, antihyperglycemic, and neuroprotective activities[1]. 4-Methoxycinnamic acid is detected as natural phenylpropanoid in A. preissii. 4-Methoxycinnamic acid is detected as natural phenylpropanoid in A. preissii.
FR-2261
(E)-Methyl 4-coumarate (Methyl 4-hydroxycinnamate), found in several plants, such as Allium cepa or Morinda citrifolia L. leaves. (E)-Methyl 4-coumarate cooperates with Carnosic Acid in inducing apoptosis and killing acute myeloid leukemia cells, but not normal peripheral blood mononuclear cells. Antioxidant and antimicrobial activity. (E)-Methyl 4-coumarate (Methyl 4-hydroxycinnamate), found in several plants, such as Allium cepa or Morinda citrifolia L. leaves. (E)-Methyl 4-coumarate cooperates with Carnosic Acid in inducing apoptosis and killing acute myeloid leukemia cells, but not normal peripheral blood mononuclear cells. Antioxidant and antimicrobial activity. Methyl p-coumarate (Methyl 4-hydroxycinnamate), an esterified derivative of p-Coumaric acid (pCA), is isolated from the flower of Trixis michuacana var longifolia. Methyl p-coumarate could inhibit the melanin formation in B16 mouse melanoma cells. Methyl p-coumarate also has strong in vitro inhibitory effect on A. alternata and other pathogens[1][2]. Methyl p-coumarate (Methyl 4-hydroxycinnamate), an esterified derivative of p-Coumaric acid (pCA), is isolated from the flower of Trixis michuacana var longifolia. Methyl p-coumarate could inhibit the melanin formation in B16 mouse melanoma cells. Methyl p-coumarate also has strong in vitro inhibitory effect on A. alternata and other pathogens[1][2].
Ferulaldehyde
Coniferaldehyde (Ferulaldehyde) is an effective inducer of heme oxygenase-1 (HO-1). Coniferaldehyde exerts anti-inflammatory properties in response to LPS. Coniferaldehyde inhibits LPS-induced apoptosis through the PKCα/β II/Nrf-2/HO-1 dependent pathway in RAW264.7 macrophage cells[1]. Coniferaldehyde (Ferulaldehyde) is an effective inducer of heme oxygenase-1 (HO-1). Coniferaldehyde exerts anti-inflammatory properties in response to LPS. Coniferaldehyde inhibits LPS-induced apoptosis through the PKCα/β II/Nrf-2/HO-1 dependent pathway in RAW264.7 macrophage cells[1].
1-(2-Hydroxy-4-methylphenyl)propan-1,2-dione
A natural product found in Eupatorium cannabinum subspecies asiaticum.
(2S,3R,4S,5R)-6,6-dimethyltetrahydro-2H-pyran-2,3,4,5-tetraol
phenacemide
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics
Phenanthracene
A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms phenyl and anthracene. Phenanthrene is a polycyclic aromatic hydrocarbon (PAH) and has been frequently used as an indicator for monitoring PAH contaminated matrices[1]. Phenanthrene induces oxidative stress and inflammation[2].
Difurfuryl ether
A member of the class of furans that is furan which is substituted by a (furan-2-ylmethoxy)methyl group at position 2.
Ethyl Phenylglyoxylate
The ethyl ester of phenylglyoxylic acid. Metabolite observed in cancer metabolism.
2-[(2Z)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]acetamide
2-[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]acetamide
1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene
4-coumaric acid methyl ester
A cinnamate ester that is the methyl ester of 4-coumaric acid.
(2s)-5-hydroxy-2-methyl-2,3-dihydro-1-benzopyran-4-one
3,4-dihydro-8-hydroxy-3-methyl-2 h -1-benzopyran-2-one
{"Ingredient_id": "HBIN007364","Ingredient_name": "3,4-dihydro-8-hydroxy-3-methyl-2 h -1-benzopyran-2-one","Alias": "NA","Ingredient_formula": "C10H10O3","Ingredient_Smile": "CC1CC2=C(C(=CC=C2)O)OC1=O","Ingredient_weight": "178.18","OB_score": "NA","CAS_id": "52685-66-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8289","PubChem_id": "21828374","DrugBank_id": "NA"}
(4r)-4,8-dihydroxy-α-tetralone
{"Ingredient_id": "HBIN010847","Ingredient_name": "(4r)-4,8-dihydroxy-\u03b1-tetralone","Alias": "NA","Ingredient_formula": "C10H10O3","Ingredient_Smile": "C1CC(=O)C2=C(C1O)C=CC=C2O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6144","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9-methylene-9-h-fluorene
{"Ingredient_id": "HBIN014138","Ingredient_name": "9-methylene-9-h-fluorene","Alias": "NA","Ingredient_formula": "C14H10","Ingredient_Smile": "C=C1C2=CC=CC=C2C3=CC=CC=C13","Ingredient_weight": "178.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7271","PubChem_id": "78147","DrugBank_id": "NA"}
