Exact Mass: 202.1721
Exact Mass Matches: 202.1721
Found 500 metabolites which its exact mass value is equals to given mass value 202.1721,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Asymmetric dimethylarginine
Asymmetric dimethylarginine (ADMA) is a naturally occurring chemical found in blood plasma. It is a metabolic by-product of continual protein modification processes in the cytoplasm of all human cells. It is closely related to L-arginine, a conditionally-essential amino acid. ADMA interferes with L-arginine in the production of nitric oxide, a key chemical to endothelial and hence cardiovascular health. Asymmetric dimethylarginine is created in protein methylation, a common mechanism of post-translational protein modification. This reaction is catalyzed by an enzyme set called S-adenosylmethionine protein N-methyltransferases (protein methylases I and II). The methyl groups transferred to create ADMA are derived from the methyl group donor S-adenosylmethionine, an intermediate in the metabolism of homocysteine. (Homocysteine is an important blood chemical, because it is also a marker of cardiovascular disease). After synthesis, ADMA migrates into the extracellular space and thence into blood plasma. Asymmetric dimethylarginine is measured using high performance liquid chromatography. ADMA has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Isolated from broad bean seeds (Vicia faba). NG,NG-Dimethyl-L-arginine is found in many foods, some of which are yellow wax bean, spinach, green zucchini, and white cabbage. D004791 - Enzyme Inhibitors Asymmetric dimethylarginine is an endogenous inhibitor of nitric oxide synthase (NOS), and functions as a marker of endothelial dysfunction in a number of pathological states.
(-)-alpha-Curcumene
1-[(2R)-hex-5-en-2-yl]-4-methylbenzene is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring. (-)-alpha-Curcumene belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
2-Pentyl-3-phenyl-2-propenal
2-Pentyl-3-phenyl-2-propenal, also known as alpha-amylcinnamaldehyde or pentylcinnamaldehyde, is a member of the class of compounds known as cinnamaldehydes. Cinnamaldehydes are organic aromatic compounds containing a cinnamaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal. 2-Pentyl-3-phenyl-2-propenal is practically insoluble in water. 2-Pentyl-3-phenyl-2-propenal is a flavouring agent and has a sweet, floral, and fruity taste. It is a non-carcinogenic (not listed by IARC) potentially toxic compound.
Symmetric dimethylarginine
Symmetric dimethylarginine, also known as N,n-dimethylarginine or SDMA, is a L-arginine derivative having two methyl groups at the N(omega)- and N(omega)-positions It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a member of guanidines, a non-proteinogenic L-alpha-amino acid, a L-arginine derivative and a dimethylarginine. It is a tautomer of a N(omega),N(omega)-dimethyl-L-arginine zwitterion. It belongs to the class of organic compounds known as arginine and derivatives. Arginine and derivatives are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Symmetric dimethylarginine is a drug. Outside of the human body, symmetric dimethylarginine has been detected, but not quantified in pulses. Symmetric dimethylarginine (SDMA) is an endogenously produced inhibitor of nitric oxide synthase (EC-Number 1.14.13.39). However, elevated levels of Symmetric dimethylarginine occur in patients with vascular disease, especially suffering end-stage renal disease. Isolated from broad bean (Vicia faba) seed proteins SDMA (Symmetric dimethylarginine) is an endogenous inhibitor of nitric oxide (NO) synthase activity. SDMA, a novel kidney biomarker, permits earlier diagnosis of kidney disease than traditional creatinine testing.
(E)-Calamene
Calamene is a metabolite of plant Turnera diffusa. Turnera diffusa (Damiana, Mexican holly, Old Womans Broom) is a small shrub of the family Tuneraceae. T. diffusa is native to both Central and South America and now commercially cultivated in Bolivia and Mexico. The leaf includes volatile oils (1,8-cineole, p-cymene, alpha- and beta-pinene, thymol, alpha-copaene, and calamene); luteolin; tannins, flavonoids (arbutin, acacetin, apigenin and pinocembrin), beta-sitosterol, damianin, and the cyanogenic glycoside tetraphyllin B. (www.globinmed.com) (e)-calamene is also known as calamenene or 1,6-dimethyl-4-isopropyltetralin. (e)-calamene can be found in a number of food items such as guava, lovage, summer savory, and rosemary, which makes (e)-calamene a potential biomarker for the consumption of these food products (e)-calamene can be found primarily in urine.
alpha-Curcumene
alpha-Curcumene belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units
beta-Spathulene
Constituent of the the oil of Schinus molle (California peppertree). beta-Spathulene is found in herbs and spices, beverages, and fruits. beta-Spathulene is found in beverages. beta-Spathulene is a constituent of the the oil of Schinus molle (California peppertree).
beta-Vatirenene
Beta-vatirenene belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units.
Dictagymnin
Dictagymnin is found in herbs and spices. Dictagymnin is isolated from star anise oil. Isolated from star anise oil. Dictagymnin is found in herbs and spices.
3-hydroxyundecanoic acid
3-Hydroxyundecanoic acid medium-chain hydroxy is a fatty acid. In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
1,4,9-Cadinatriene
1,4,9-Cadinatriene is found in herbs and spices. 1,4,9-Cadinatriene is a constituent of Acorus calamus (sweet flag). Constituent of Acorus calamus (sweet flag). 1,4,9-Cadinatriene is found in herbs and spices and root vegetables.
Panaquinquecol 5
Panaquinquecol 5 is found in tea. Panaquinquecol 5 is isolated from ginseng. Isolated from ginseng. Panaquinquecol 5 is found in tea.
2-Hydroxyundecanoate
2-Hydroxyundecanoate belongs to the family of Fatty Alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.
(±)-Anisoxide
(±)-Anisoxide is found in fruits. (±)-Anisoxide is isolated from oil of star anise (Illicium verum) after thermal fractionatio
(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene
(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene is found in root vegetables. (1alpha,6alpha,7alphaH)-2,4(15)-Copadiene is a constituent of the essential oil of Cyperus rotundus (nutgrass). Constituent of the essential oil of Cyperus rotundus (nutgrass). (1alpha,6alpha,7alphaH)-2,4(15)-Copadiene is found in root vegetables.
(6alpha,7alpha,10alpha)-1(5),3-Aromadendradiene
(6alpha,7alpha,10alpha)-1(5),3-Aromadendradiene is a constituent of Tolu balsam (Myroxylon balsamum var. balsamum). (6alpha,7alpha,10alpha)-1(5),3-Aromadendradiene is a flavouring agent Constituent of Tolu balsam (Myroxylon balsamum variety balsamum). Flavouring agent
Caproylcholine
Caproylcholine is a fatty acid-choline as the ester product of Caproic acid and cholinel. The pharmacological effects of a series of fatty acid-choline esters have been studied on the isolated rabbit heart, the isolated guinea-pig ileum and the rat stomach. The effect changed with increasing chain length, and three different types of response were observed. The shortchain compounds produced depression of the isolated rabbit heart and spasm of the isolated guinea-pig ileum. Only one, butyrylcholine, had an erratic stimulating effect on hydrochloric acid secretion by the partially vagotomized rat stomach. Medium-chain compounds had a stimulating effect on the isolated rabbit heart, a mixed spasmogenic and relaxant effect on the isolated guinea-pig ileum, and no effect on the rat stomach. Long-chain compounds blocked the effect of acetylcholine on the isolated rabbit heart and the isolated guinea-pig ileum; they also depressed spontaneous hydrochloric acid secretion by the rat stomach. Caproylcholine is a fatty acid-choline as the ester product of Caproic acid and cholinel.
Acetaldehyde diisoamyl acetal
Acetaldehyde diisoamyl acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
3-Hydroxynonyl acetate
3-Hydroxynonyl acetate is a flavouring ingredient. Flavouring ingredient
1,1-Dimethoxydecane
1,1-Dimethoxydecane is a flavouring ingredient. Flavouring ingredient
beta-Vetivenene
beta-Vetivenene belongs to the family of Bicyclic Monoterpenes. These are monoterpenes containing exactly 2 rings, which are fused to each other.
Calamenene
Calamenene belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
2-amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acid
2-Hydroxypropyl octanoate
D001697 - Biomedical and Dental Materials
Dimethylarginine
Asymmetric dimethylarginine is an endogenous inhibitor of nitric oxide synthase (NOS), and functions as a marker of endothelial dysfunction in a number of pathological states.
(2S)-5-[Carbamimidoyl(methyl)amino]-2-(methylamino)pentanoic acid
(2S)-5-(Diaminomethylideneamino)-4-methyl-2-(methylamino)pentanoic acid
Cuparene
Cuparene is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, cuparene is considered to be an isoprenoid lipid molecule. Cuparene can be found in lovage and pepper (spice), which makes cuparene a potential biomarker for the consumption of these food products.
1-S-cis-Calamenene
(E)-Calamene, also known as calamenene, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (E)-Calamene is possibly neutral. (E)-Calamene is found in highest concentrations in allspices, common oregano, and rosemaries and in lower concentrations in lovages. (E)-Calamene has also been detected in cloves, guava, summer savories, sweet basils, and pepper (spice). This could make (E)-calamene a potential biomarker for the consumption of these foods. Calamene is a metabolite of plant Turnera diffusa (Damiana, Mexican holly, Old Womans Broom), a small shrub of the family Tuneraceae. T. diffusa is native to both Central and South America and now commercially cultivated in Bolivia and Mexico. 1-s-cis-calamenene, also known as (7r,10r)-calamenene, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 1-s-cis-calamenene is a herb and spice tasting compound found in rosemary, which makes 1-s-cis-calamenene a potential biomarker for the consumption of this food product.
(3E,5E,8E)-3,7,11-Trimethyldodeca-1,3,5,8,10-pentaene
(4aR-trans)-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-1-methylene-7-(1-methylethylidene)naphthalene
Dehydrochamecynenol
Chamecynone
1,3,7(11),8-Elematetraene
Isochamaecynone
(3E,5E,8Z)-3,7,11-Trimethyldodeca-1,3,5,8,10-pentaene
(Z)-form-8-Tetradecene-11,13-diyn-2-one,|(Z)-tetradeca-8-en-11,13-diyn-2-one|tetradec-8c-ene-11,13-diyn-2-one|tetradeca-8-en-11,13-diyene-2-one|tetradeca-8Z-ene-11,13-diyn-2-one
1,12-Dodecanediol
A medium-chain primary fatty alcohol that is dodecane carrying hydroxy groups at positions 1 and 12.
(all-E)-form-4,6,10,12-Tetradecatetraen-8-yn-2-ol,|4,6,10,12-Tetradecatetraen-8-yn-2-ol,
(+)-4-methyl-9-methylene-bicyclo[8.2.1]trideca-1(13),4-diene|(+)-isozierene
(4S,4aS,8aS)-8a-methyl-5-methylene-4-(1-methylvinyl)-1,2,3,4,4a,5,6,8a-octahydro-naphthalene|(5S,6S,10S)-gorgona-1,4(15),11-triene
beta-Isovetivenen|beta-Vetispiren|beta-Vetispirene
(1S,6R,7S)-aromadendra-4,9-diene|1,1,4,7-tetramethyl-1a,2,4a,5,6,7b-hexahydro-1H-cyclopropa[e]azulene
(+)-(5S*,6S*,7S*)-aromadendra-1(10),4(15)-diene|1,1,4-trimethyl-7-methylene-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene
Tetradeca-6,12-dien-8,10-diin-3-ol|tetradeca-6t,12t-diene-8,10-diyn-3-ol
(1beta,5beta)-13-Nor-2,4(15)-eudesmadien-11-yn-1-ol
(S)-2-pentyl (R)-3-hydroxyhexanoate|(S)-2-pentyl (R)-3-hydroxyhexanoate
9-spiro(cyclopropa)-2,4,4,8-tetramethylbicyclo[4.3.0]nona-1,5-diene|teredenene
9-spiro(cyclopropa)-4,4,8-trimethyl-2-methylenbicyclo[4.3.0]non-1(6)-ene|terebanene
(2E,4E,9Z)-2,4,9-Pentadecatrien-6-yne|Pentadeca-2t,4t,9c-trien-6-in|pentadeca-2t,4t,9c-trien-6-yne
1,8,9,10-Tetradehydroaristolan|aristol-1(10),8-diene
Pentadeca-2t,4t,8t-trien-6-in|pentadeca-2t,4t,8t-trien-6-yne
alpha-Isovetivenen|beta-Isovetivenen|beta-Vetispiren
NG,NG,dimethylarginine
Asymmetric dimethylarginine is an endogenous inhibitor of nitric oxide synthase (NOS), and functions as a marker of endothelial dysfunction in a number of pathological states.
C11H22O3_1-(2-Hydroxyethyl)-2,2,6-trimethyl-1,4-cyclohexanediol
N,N-Dimethylarginine
D004791 - Enzyme Inhibitors Asymmetric dimethylarginine is an endogenous inhibitor of nitric oxide synthase (NOS), and functions as a marker of endothelial dysfunction in a number of pathological states.
Asymmetric dimethylarginine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; YDGMGEXADBMOMJ_STSL_0134_Asymmetric dimethylarginine_0500fmol_180430_S2_LC02_MS02_41; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
Symmetric dimethylarginine
SDMA (Symmetric dimethylarginine) is an endogenous inhibitor of nitric oxide (NO) synthase activity. SDMA, a novel kidney biomarker, permits earlier diagnosis of kidney disease than traditional creatinine testing.
Caproylcholine
An acylcholine with an acyl group that is hexanoyl.
alpha-Curcumene
Alpha-curcumene is also known as α-curcumene. Alpha-curcumene is a herb tasting compound and can be found in a number of food items such as pepper (spice), lovage, wild carrot, and rosemary, which makes alpha-curcumene a potential biomarker for the consumption of these food products.
Silane, [(1-ethoxy-2,3-dimethylcyclopropyl)oxy]trimethyl- (9CI)
7-(1,1-dimethylethyl)-3,4-dihydro-1(2H)-naphthalenone
(2-AMINO-ETHYL)-PROPYL-CARBAMIC ACID TERT-BUTYL ESTER
11-HYDROXYUNDECANOIC ACID
An omega-hydroxy fatty acid that is undecanoic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group.
2-[(4S)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol
3-Azabicyclo[3.1.0]hexane-1-methanamine, 3-(phenylmethyl)-
Carbamic acid, [2-(propylamino)ethyl]-, 1,1-dimethylethyl ester (9CI)
trans-3-Hydroxy-1-propenylboronic acid pinacol ester
Carbamic acid, [2-[(1-methylethyl)amino]ethyl]-, 1,1-dimethylethyl ester (9CI)
1H-Benzimidazole,2-(1,1-dimethylethyl)-1-ethyl-(9CI)
1,1,4,4,6-PENTAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE
<(1-benzyl-1,2,3,6-tetrahydro-4-pyridyl)methyl>amine
dicarbine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D020011 - Protective Agents > D016587 - Antimutagenic Agents D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant D009676 - Noxae > D013723 - Teratogens
4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-, polymer with ethene and 1-propene
3-Benzyl-N-methyl-3-azabicyclo[3.1.0]hexan-6-amine
2-Methyl-2-Propanyl [2-Methyl-1-(Methylamino)-2-Propanyl]Carbamate
(1R*,2S*)-2-Isopropenyl-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
(S)-(-)-1-TRIMETHYLSILYLAMINO-2-METHOXYMETHYLPYRROLIDINE, TECHN., 80
1H-Indole-3-methanamine,a-methyl-N-(1-methylethyl)-
10-methyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
(S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLICACIDMETHYLESTERHYDROCHLORIDE
[(1S)-4-(1-Aminobutylideneamino)-1-carboxybutyl]azanium
(3R,8aR)-5,8a-Dimethyl-3-(prop-1-en-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene
(±)-Anisoxide
(±)-Anisoxide is found in fruits. (±)-Anisoxide is isolated from oil of star anise (Illicium verum) after thermal fractionatio
Toluene, p-(1,2,2-trimethylcyclopentyl)-, (R)-(+)-
(2S)-2-azaniumyl-5-(N,N-dimethylcarbamimidamido)pentanoate
4,4-Dimethyl-3-(3-methylbut-3-enylidene)-2-methylenebicyclo[4.1.0]heptane
(3S,4S)-3-hydroxy-4-methyldecanoic acid
A 3-hydroxy monocarboxylic acid that is 3-hydroxydecanoic acid substituted by a methyl group at position 4 (the 3S,4S stereoisomer).
3,3A,8A-Trimethyl-2,3,3A,8A-tetrahydropyrrolo(2,3-B)indole
2,6,6,9-Tetramethyl-5alpha,8beta-tricyclo(6.3.0.0(1,5))undeca-2,9-diene
Butyl-(butyl-deuterio-methylsilyl)-deuterio-methylsilane
(-)-alpha-Curcumene
An alpha-curcumene that has R configuration at the chiral centre.
N(omega),N(omega)-dimethyl-L-arginine
A L-arginine derivative having two methyl groups at the N(omega)- and N(omega)-positions
2-Amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acid
(10R)-10-hydroxyundecanoic acid
An (omega-1)-hydroxy fatty acid that is undecanoic acid in which the 10-pro-R hydrogen is replaced by a hydroxy group.
N(Omega),N(omega)-dimethyl-L-arginine
A L-arginine derivative having two methyl groups both attached to the primary amino moiety of the guanidino group.
N(omega),N(omega)-dimethyl-L-arginine zwitterion
An amino acid zwitterion obtained from N(omega),N(omega)-dimethyl-L-arginine by transfer of a proton from the carboxylic acid group to the alpha-amino group.
(4s,4ar)-4-isopropyl-1,6-dimethyl-3,4,4a,7-tetrahydronaphthalene
1-methyl-7-(prop-1-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
2,6,6-trimethyl-9-methylidenecycloundeca-1,3,7-triene
1,1,4,7-tetramethyl-1ah,2h,3h,5h,7ah,7bh-cyclopropa[e]azulene
(4as,7r,8ar)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)-4,5,6,7,8,8a-hexahydronaphthalene
1,8a-dimethyl-8-(prop-1-en-2-yl)-2,3,4,8-tetrahydro-1h-naphthalene
1-methyl-6-methylidene-4-(propan-2-ylidene)-1,2,3,4a,5,8a-hexahydronaphthalene
(3e,5e,7r,8e)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene
5-[(1e,3e)-hepta-1,3-dien-1-yl]-6-methylidenecyclohex-2-en-1-one
(1r,2s,4r)-3,3,7,11-tetramethyltetracyclo[5.4.0.0¹,⁸.0²,⁴]undec-10-ene
(4r,5s)-4,8-dimethyl-1-(prop-1-en-2-yl)spiro[4.5]deca-1,7-diene
(1s,2r,4s,7s,8r)-3,3,7,11-tetramethyltetracyclo[5.4.0.0¹,⁸.0²,⁴]undec-10-ene
(1z,8z)-4,8,11,11-tetramethylbicyclo[7.2.0]undeca-1,4,8-triene
4,10,11,11-tetramethyltricyclo[5.3.1.0¹,⁵]undeca-2,4-diene
(1r,4as,8ar)-1-methyl-6-methylidene-4-(propan-2-ylidene)-1,2,3,4a,5,8a-hexahydronaphthalene
(2'r)-2',5',5'-trimethyl-7'-methylidene-2',3',4',6'-tetrahydrospiro[cyclopropane-1,1'-indene]
(5s)-2,5,9,9-tetramethyl-5,6,7,8-tetrahydrobenzo[7]annulene
(1s,7r,8ar)-1,8a-dimethyl-7-(prop-1-en-2-yl)-2,3,7,8-tetrahydro-1h-naphthalene
1-(1,2-dimethyl-3-methylidenecyclopentyl)-4-methylcyclohexa-1,4-diene
(1s,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene
1-(1,5-dimethyl-4-hexenyl )-4-methyl
{"Ingredient_id": "HBIN000319","Ingredient_name": "1-(1,5-dimethyl-4-hexenyl )-4-methyl","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=CC=C(C=C1)C(C)CCC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42276","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-(1r*,5s*,6r*,7s*,10s*)-myli-4(15)-ene
{"Ingredient_id": "HBIN003157","Ingredient_name": "(?)-(1r*,5s*,6r*,7s*,10s*)-myli-4(15)-ene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=C2CCC(=C)C2C3C(C3(C)C)CC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15135","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-(1s,6r,7s)-aromadendra-4,10(14)-diene
{"Ingredient_id": "HBIN003316","Ingredient_name": "(+)-(1s,6r,7s)-aromadendra-4,10(14)-diene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=C2C(CC1)C(=C)CCC3C2C3(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1757","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,6r,7s)-aromadendra-4,9-diene
{"Ingredient_id": "HBIN003317","Ingredient_name": "(1s,6r,7s)-aromadendra-4,9-diene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=C2C(CC1)C(=CCC3C2C3(C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1756","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hexyl-1h-benzimidazole
{"Ingredient_id": "HBIN005689","Ingredient_name": "2-hexyl-1h-benzimidazole","Alias": "NA","Ingredient_formula": "C13H18N2","Ingredient_Smile": "CCCCCCC1=NC2=CC=CC=C2N1","Ingredient_weight": "202.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8634","PubChem_id": "583477","DrugBank_id": "NA"}
3,3-Dimethyl allyl-p-propenyl phenyl ether
{"Ingredient_id": "HBIN007182","Ingredient_name": "3,3-Dimethyl allyl-p-propenyl phenyl ether","Alias": "1-[(3-Methyl-2-butenyl)oxy]-4-[(1E)-1-propenyl]benzene #; 1-(3-methylbut-2-enoxy)-4-prop-1-enyl-benzene; Benzene, 1-(3-methyl-2-butenoxy)-4-(1-propenyl)-; UNII-QO3391G00A; Foeniculin, (E)-; (E)-Foeniculin; 1-(3-Methyl-2-butenyloxy)-4-(1-propenyl)benzene; 1-(3-Methyl-2-butenoxy)-4-(1-propenyl)benzene; DTXSID20228921; 1-(3-methylbut-2-enoxy)-4-prop-1-enylbenzene; 78259-41-3; QO3391G00A; JGELFJUQMIUNOO-SNAWJCMRSA-N; 1-(3-methylbut-2-enoxy)-4-[(E)-prop-1-enyl]benzene; 3,3-dimethyl allyl-p-propenyl phenyl ether; AC1NSUUD","Ingredient_formula": "C14H18O","Ingredient_Smile": "CC=CC1=CC=C(C=C1)OCC=C(C)C","Ingredient_weight": "202.29 g/mol","OB_score": "18.11340093","CAS_id": "NA","SymMap_id": "SMIT00925","TCMID_id": "6309","TCMSP_id": "MOL003995","TCM_ID_id": "NA","PubChem_id": "5316879","DrugBank_id": "NA"}
(+)-(5s*,6s*,7s*)-aromadendra-1(10),4(15)-diene
{"Ingredient_id": "HBIN011950","Ingredient_name": "(+)-(5s*,6s*,7s*)-aromadendra-1(10),4(15)-diene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=C2CCC(=C)C2C3C(C3(C)C)CC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1755","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,14-anhydro-amorpha-4,9-diene
{"Ingredient_id": "HBIN012870","Ingredient_name": "7,14-anhydro-amorpha-4,9-diene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=CC2C(CC1)C(=CCC2=C(C)C)C","Ingredient_weight": "202.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1260","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91747867","DrugBank_id": "NA"}
α-Aryl Curcumene
{"Ingredient_id": "HBIN015384","Ingredient_name": "\u03b1-Aryl Curcumene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=CC=C(C=C1)C(C)CCC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34864","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-aromadendra-1(10),3-diene
{"Ingredient_id": "HBIN016883","Ingredient_name": "(?)-aromadendra-1(10),3-diene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=C2CC=C(C2C3C(C3(C)C)CC1)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1754","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
beta- Famesene
{"Ingredient_id": "HBIN018114","Ingredient_name": "beta- Famesene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC(=CC=CC(=CCCC(=C)C=C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33430","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
β-vatirenene
{"Ingredient_id": "HBIN018349","Ingredient_name": "\u03b2-vatirenene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1CC=CC2=CCC(=C(C)C)CC12C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39989","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bisabola-1,3,5,7-tetraene
{"Ingredient_id": "HBIN018572","Ingredient_name": "bisabola-1,3,5,7-tetraene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=CC=C(C=C1)C(=CCCC(C)C)C","Ingredient_weight": "202.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2406","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91749821","DrugBank_id": "NA"}
