Exact Mass: 299.1818
Exact Mass Matches: 299.1818
Found 126 metabolites which its exact mass value is equals to given mass value 299.1818,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
indicine
Rinderine is a member of pyrrolizines. Rinderine is a natural product found in Chromolaena odorata, Eupatorium japonicum, and other organisms with data available.
Ethylketocyclazocine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Lycopsamine
Lycopsamine, also known as indicine or 9-viridiflorylretronecine, belongs to alkaloids and derivatives class of compounds. Those are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic propertiesand is also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Lycopsamine is soluble (in water) and a very weakly acidic compound (based on its pKa). Lycopsamine can be found in borage, which makes lycopsamine a potential biomarker for the consumption of this food product. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2270
intermedine
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2293
2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine
2-(3-carboxy-3-(trimethylammonio)propyl)-l-histidine is part of the Protein modification pathway. It is a substrate for: Diphthine synthase.
Diphthine
This compound belongs to the family of 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).
3-Hydroxyocta-2,5-dienoylcarnitine
3-hydroxyocta-2,5-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyocta-2,5-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyocta-2,5-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyocta-2,5-dienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-Hydroxyocta-2,6-dienoylcarnitine
3-hydroxyocta-2,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyocta-2,6-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyocta-2,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyocta-2,6-dienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-Hydroxyocta-3,6-dienoylcarnitine
3-hydroxyocta-3,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyocta-3,6-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyocta-3,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyocta-3,6-dienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-Hydroxyocta-2,4-dienoylcarnitine
3-hydroxyocta-2,4-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyocta-2,4-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyocta-2,4-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyocta-2,4-dienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(4Z,6Z)-3-Hydroxyocta-4,6-dienoylcarnitine
(4Z,6Z)-3-hydroxyocta-4,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an (4Z,6Z)-3-hydroxyocta-4,6-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (4Z,6Z)-3-hydroxyocta-4,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (4Z,6Z)-3-hydroxyocta-4,6-dienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-Hydroxyocta-3,5-dienoylcarnitine
3-hydroxyocta-3,5-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyocta-3,5-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyocta-3,5-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyocta-3,5-dienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(+/-)-Ethylketocyclazocine
(1R,9S)-10-(Cyclopropylmethyl)-12-ethyl-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
Nylidrin
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AA - 2-amino-1-phenylethanol derivatives D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
nylidrin
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AA - 2-amino-1-phenylethanol derivatives D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents CONFIDENCE standard compound; INTERNAL_ID 6; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) INTERNAL_ID 6; CONFIDENCE standard compound; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)
(+-)-7,8,9-trimethyl-eleocarpine|(+-)-Elaeocarpin|6a,11,12a,12b-tetramethyl-(6ar,12at,12bc)-1,2,3,5,6,6a,12a,12b-octahydro-chromeno[2,3-g]indolizin-12-one
3,4-Dihydro,1-hydroxy-Dictyolomide A|dictylomide B
N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]-N-methyl-3-methyl-2-butenamide
Intermedina
Intermedine is a carboxylic ester compound formed from condensation between retronecine and (2S,3R)-2,3-dihydroxy-2-isopropylbutanoic acid. It is a member of pyrrolizines, an azabicycloalkane and a carboxylic ester. Intermedine is a natural product found in Eupatorium cannabinum, Chromolaena odorata, and other organisms with data available. See also: Comfrey Leaf (part of); Comfrey Root (part of).
indicine
Lycopsamine is a member of pyrrolizines. Lycopsamine is a natural product found in Brickellia grandiflora, Eupatorium cannabinum, and other organisms with data available. See also: Comfrey Leaf (part of); Comfrey Root (part of); Borage (part of).
echinatine
Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Pyrrolizidine alkaloids
2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine
7-Ethoxycarbonyl-9-(ethoxycarbonylmethyl)-9-azabicyclo[3,3,1]nonan-3-ol
4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate
1H-IMIDAZO[4,5-C]QUINOLINE-1-PROPANAMINE,4-AMINO-2-(ETHOXYMETHYL)
N2-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)PYRIMIDINE-2,5-DIAMINE
4-(2-ETHOXYCARBONYL-ACETYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDINE-4-CARBONITRILE
butyl prop-2-enoate,methyl 2-methylprop-2-enoate,prop-2-enamide
1-Oxa-8-azaspiro[4.5]decane-3-acetic acid, 8-[(1,1-dimethylethoxy)carbonyl]-
3,3-DIMETHOXY-ALPHA-METHYLDIPHENETHYLAMINE HYDROCHLORIDE
5-METHYL-2-((3-(4-METHYLPIPERAZIN-1-YL)PHENYL)AMINO)PYRIMIDIN-4(3H)-ONE
(R)-(7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone
(S)-2-{[(((1R,2R)-2-(allyloxy)cyclopentyl)oxy)carbonyl]amino}-3,3-dimethylbutanoic acid
3-(2-ethoxycarbonyl-acetyl)-piperidine-1-carboxylic acid tert-butyl ester
Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(decyloxy)-, ammonium salt
2-[(3S)-3-carboxy-3-(trimethylammonio)propyl]-L-histidine
3-Cyclopropylmethyl-5-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
[(1S,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl 2,3-dihydroxy-2-(propan-2-yl)butanoate
fumigaclavine A(1+)
An ammonium ion obtained by the protonation of the tertiary amino group of fumigaclavine A; major species at pH 7.3.
(2S)-2-[[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]amino]pentanedioic acid
(2R)-1-[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Propanoic acid, 2-[(1-cyclohexylethyl)carbamoyl]-, trimethylsilyl ester
CID 443409
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Diphthine
A quaternary ammonium ion consisting of L-histidine with a 3-(trimethylammonio)-3-carboxypropyl group at the 2-position of the the imidazole ring.
2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine
(1r,7ar)-7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoate
(2s,4e,6e,11e)-12-(pyridin-3-yl)dodeca-4,6,11-trien-2-yl acetate
[(7s,7as)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoate
(2s,4e,6e,8e)-12-(pyridin-3-yl)dodeca-4,6,8-trien-2-yl acetate
(1s,10s,11s)-1,7,10,11-tetramethyl-2-oxa-15-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-3(8),4,6-trien-9-one
1,7,10,11-tetramethyl-2-oxa-15-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-3(8),4,6-trien-9-one
2-(nonan-8-one)-4-methoxy-quinoline
{"Ingredient_id": "HBIN006130","Ingredient_name": "2-(nonan-8-one)-4-methoxy-quinoline","Alias": "NA","Ingredient_formula": "C19H25NO2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15680","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(nonan-8-one)-n-methyl-4-quinolone
{"Ingredient_id": "HBIN006131","Ingredient_name": "2-(nonan-8-one)-n-methyl-4-quinolone","Alias": "NA","Ingredient_formula": "C19H25NO2","Ingredient_Smile": "CCCCCCC=CCC1=C(C(=O)C2=CC=CC=C2N1O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15681","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
