Exact Mass: 208.170616
Exact Mass Matches: 208.170616
Found 500 metabolites which its exact mass value is equals to given mass value 208.170616,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pilocarpine
Pilocarpine is only found in individuals that have used or taken this drug. It is a slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma. [PubChem]Pilocarpine is a cholinergic parasympathomimetic agent. It increase secretion by the exocrine glands, and produces contraction of the iris sphincter muscle and ciliary muscle (when given topically to the eyes) by mainly stimulating muscarinic receptors. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2265 Pilocarpine is a selective M3-type muscarinic acetylcholine receptor (M3 muscarinic receptor) agonist.
Ammodendrine
A piperidine alkaloid that is piperidine substituted by a 1-acetyl-1,4,5,6-tetrahydropyridin-3-yl group at position 2 (the 2R-stereoisomer). relative retention time with respect to 9-anthracene Carboxylic Acid is 0.321 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.317
1,2-Diphenylcyclobutane
1,2-Diphenylcyclobutane is a styrene dimer. Present as an impurity in polystyrene food containers and other products - liberated on heatin Styrene dimer. Present as an impurity in polystyrene food containers and other products - liberated on heating
2,4-Diphenyl-1-butene
2,4-Diphenyl-1-butene is a styrene dimer. Present as an impurity in polystyrene food containers and other products - liberated on heatin
3-Hydroxy-beta-ionone
3-Hydroxy-beta-ionone (CAS: 116296-75-4), also known as apo-9-zeaxanthinone (CAS: 50281-38-4), belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 3-Hydroxy-beta-ionone has been detected, but not quantified in, several different foods, such as green bell peppers, red bell peppers, pepper (C. annuum), Italian sweet red peppers, and orange bell peppers. This could make 3-hydroxy-beta-ionone a potential biomarker for the consumption of these foods. 3-Hydroxy-beta-ionone is found in pulses. 3-Hydroxy-beta-ionone is isolated from Phaseolus vulgaris (kidney bean). Apo-9-zeaxanthinone is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Apo-9-zeaxanthinone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-9-zeaxanthinone can be found in a number of food items such as red bell pepper, yellow bell pepper, green bell pepper, and pepper (c. annuum), which makes apo-9-zeaxanthinone a potential biomarker for the consumption of these food products.
(3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one
(3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one is found in common grape. (3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one is a constituent of cigar tobacco, isolated by gas liquid chromatography (GLC) [CCD]. Constituent of cigar tobacco, isol. by glc [CCD]. (3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one is found in common grape. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
(5R,6S)-5,6-Epoxy-7-megastigmen-9-one
(5R,6S)-5,6-Epoxy-7-megastigmen-9-one is found in garden tomato. (5R,6S)-5,6-Epoxy-7-megastigmen-9-one is a constituent of tomatoes and carrots
Theaspirone A
(6S,9S)-Theaspirone is found in fruits. (6S,9S)-Theaspirone is a constituent of quince fruit.
5,9:6,9-Diepoxy-3-megastigmene
5,9:6,9-Diepoxy-3-megastigmene is found in alcoholic beverages. 5,9:6,9-Diepoxy-3-megastigmene is a constituent of quince fruit (Cydonia oblonga) brandy and Riesling wine.
Eremopetasinorol
Eremopetasinorol is found in green vegetables. Eremopetasinorol is a constituent of Petasites japonicus (sweet coltsfoot)
5,9:6,9-Diepoxy-4-megastigmene
5,9:6,9-Diepoxy-4-megastigmene is found in alcoholic beverages. 5,9:6,9-Diepoxy-4-megastigmene is a constituent of quince fruit (Cydonia oblonga) brandy. Constituent of quince fruit (Cydonia oblonga) brandy. 5,9:6,9-Diepoxy-4-megastigmene is found in alcoholic beverages.
(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol
(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol is found in fruits. (5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol is a constituent of Passiflora edulis (passion fruit) Constituent of Passiflora edulis (passion fruit). (5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol is found in fruits.
(S,E)-Lyratol propanoate
(S,E)-Lyratol propanoate is a constituent of Artemisia vulgaris (mugwort) Constituent of Artemisia vulgaris (mugwort).
(E)-6,10-Dimethyl-9-methylene-5-undecen-2-one
(E)-6,10-Dimethyl-9-methylene-5-undecen-2-one is found in herbs and spices. (E)-6,10-Dimethyl-9-methylene-5-undecen-2-one is a constituent of Costus root oil (Saussurea lappa) Constituent of Costus root oil (Saussurea lappa). (E)-6,10-Dimethyl-9-methylene-5-undecen-2-one is found in herbs and spices.
5S,6S-epoxy-15R-hydroxy-ETE
5S,6S-epoxy-15R-hydroxy-ETE is classified as a member of the Polyethylene glycols. Polyethylene glycols are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3). 5S,6S-epoxy-15R-hydroxy-ETE is considered to be soluble (in water) and relatively neutral
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol is found in fruits. 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol is from quince (Cydonia oblonga). From quince (Cydonia oblonga). 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol is found in quince and fruits.
Cadinene
Cadinene is the trivial chemical name of a number of isomeric hydrocarbons that occur in a wide variety of essential oil-producing plants. They all share the cadalane skeleton (4-isopropyl-1,6-dimethyldecahydronaphthalene) and can be further subdivided in: cadinenes, muurolene, amorphenes, and bulgarenes. According to the double bonds positions, they are also subdivided in alpha [e.g. 4,9-Cadinadiene], beta, gamma [e.g. 4,10(15)-Cadinadiene], delta [e.g. 1(10),4-Cadinadiene], epsilon, zeta 1 and zeta 2. Prominent stereo-isomers are: alpha-cadinene (FDB017447), gamma-cadinene (FDB017449), and delta-cadinene (FDB013710). Cadinene is found in many foods, some of which are lemon, sweet marjoram, peppermint, and cottonseed. Cadinene is found in caraway. Cadinene is the trivial chemical name of a number of isomeric hydrocarbons that occur in a wide variety of essential oil-producing plants. They all share the cadalane skeleton (4-isopropyl-1,6-dimethyldecahydronaphthalene) and can be further subdivided in: cadinenes, muurolene, amorphenes, and bulgarenes. (Wikipedia) According to the double bonds positions, they are also subdivided in alpha [e.g. 4,9-Cadinadiene], beta, gamma [e.g. 4,10(15)-Cadinadiene], delta [e.g. 1(10),4-Cadinadiene], epsilon, zeta 1 and zeta 2. Prominent stereo-isomers are: alpha-cadinene (FDB017447), gamma-cadinene (FDB017449), and delta-cadinene (FDB013710)
2-Decylfuran
2-Decylfuran is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Acetal R
(±)-Acetal R is a flavouring ingredient with a green pepper taste; useful in vegetable as fruit flavours. It is used as a food additive
Carvyl propionate
Carvyl propionate is a flavouring ingredient with a sweet, fruity, minty taste. Flavouring ingredient with a sweet, fruity, minty taste
2-Cyclotetradecen-1-one
Bitterness depressant for flavourings. Bitterness depressant for flavourings
2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one
2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one is found in alcoholic beverages. 2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one is a constituent of purple passion fruit, Riesling wine, grapes and grape leaf, quince, dried kukoshi berries (Lycium chinense) and sweet osmanthus (Osmanthus fragrans) flowers. Constituent of purple passion fruit, Riesling wine, grapes and grape leaf, quince, dried kukoshi berries (Lycium chinense) and sweet osmanthus (Osmanthus fragrans) flowers. 2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one is found in alcoholic beverages and fruits.
Dibenzo[a,c]cyclooctene, 5,6,7,8-tetrahydro-
4,5-Dihydro-8,9-dehydrotheaspirone
4,5-dihydro-8,9-dehydrotheaspirone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4,5-dihydro-8,9-dehydrotheaspirone can be found in sunflower, which makes 4,5-dihydro-8,9-dehydrotheaspirone a potential biomarker for the consumption of this food product.
3-Oxo-alpha-ionol
3-oxo-alpha-ionol is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 3-oxo-alpha-ionol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3-oxo-alpha-ionol is a spice tasting compound found in common grape, which makes 3-oxo-alpha-ionol a potential biomarker for the consumption of this food product. 3-oxo-alpha-ionol may be a unique S.cerevisiae (yeast) metabolite.
5-Megastigmen-7-yne-3,9-diol
5-megastigmen-7-yne-3,9-diol is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). 5-megastigmen-7-yne-3,9-diol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5-megastigmen-7-yne-3,9-diol can be found in common grape, which makes 5-megastigmen-7-yne-3,9-diol a potential biomarker for the consumption of this food product.
trans-(+-)-2-Methyl-5-(2-methyl-5-isopropyltetrahydro-2-furyl)furan
cis-(+-)-2-Methyl-5-(2-methyl-5-isopropyltetrahydro-2-furyl)furan
2,5,5,8a-tetramethyl-3,4,4a,5-tetrahydro-2H,8aH-chromen-8-one
(E,E)-1,6,8-Hexadecatriene-10,12,14-triyne|1,6,8-Hexadecatriene-10,12,14-triyne|1,6E,8E-hexadecatrien-10,12,14-triine|hexadeca-1,6t,8t-triene-10,12,14-triyne|Hexadeca-8,10,15-trien-2,4,6-triin
2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-
(3Z,6R)-3-Methyl-6-(1-methylethenyl)-3,9-decadien-1-ol
(3(a)alpha)-2,2,5,5,7-pentamethyl-1,2,3,3a,4,5-hexahydro-6H-pyrrolo[3,2-b]pyridin-6-one|flavascensine
1,2-Dihydro-(2R*,5R*)-form-2,3,4,5-Tetrahydro-2,5-dimethyl-5-(1-methylethenyl)-2,2-bifuran,
2,2,6,7-Tetramethyl-10-oxatricyclo[4.3.0.1(1,7)]decan-5-one
4-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
(E)-1-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one|3-hydroxy-pi-damascone|4-hydroxy-beta-damascone
(+/-)-3-hydroxy-7,8-dehydro-beta-ionol|(4R)-4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3-butyn-2-ol|3-Hydroxy-7,8-Dehydro-beta-ionol|3-hydroxy-7,8-didehydro-beta-ionol|4-(3-hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol|5-Megastigmen-7-yne-3,9-diol|megastigm-5-en-7-yne-3,9-diol
2,3-dihydro-2,3,5-trimethyl-6-(1-methyl-1-butenyl)-4H-pyran-4-one
(+-)-tricycloekasantalic acid methyl ester|(+-)-Tricycloekasantalsaeure-methylester|3-(2,3-dimethyl-2,6-cyclo-norbornan-3-yl)-propionic acid methyl ester|3-(2,3-Dimethyl-2,6-cyclo-norbornan-3-yl)-propionsaeure-methylester|Tricycloekasantalsaeure-methylester
2,3,4,5-Tetrahydro-5-isopropyl-2,5-dimethyl-2,2-bifuran
C13H20O2_1H-Indene-3-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-3a,7,7-trimethyl
6,10-dimethyl-9-methylene-undec-5E-en-2-one
2-Decylfuran
A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a decyl group.
(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol
(5R,6S)-5,6-Epoxy-7-megastigmen-9-one
1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-indene-1,2-diol
3-Hydroxy-b-damascone
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
1-Methyl-1H-pyrazole-5-boronicacidpinacolester
C10H17BN2O2 (208.13830120000003)
N-(2-trimethoxysilylethyl)ethane-1,2-diamine
C7H20N2O3Si (208.12431300000003)
3-CYCLOHEXYL-2-HYDROXY-4,4-DIMETHYLCYCLOPENT-2-ENONE
N,N-DIMETHYL-2-[4-[(METHYLAMINO)METHYL]PHENOXY]ETHANAMINE
(N-TRIFLUOROACETYL-L-CYSTEINYL)GLYCINEMETHYLESTER,(1-1)DISULPHIDE
N2,N2-DIETHYL-3,4,5-TRIMETHYL-1H-PYRROLE-2-CARBOXAMIDE
TERT-BUTYL 2-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-FURO[3,2-B]PYRIDIN-6-YLCARBAMATE
4,4,5,5-Tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane
C11H17BO3 (208.12706820000002)
(4-(ISOPENTYLOXY)PHENYL)BORONIC ACID
C11H17BO3 (208.12706820000002)
3-tert-butoxymethylphenylboronic acid
C11H17BO3 (208.12706820000002)
2-Isobutoxy-5-methylphenylboronic acid
C11H17BO3 (208.12706820000002)
(4-ISOPROPOXY-3,5-DIMETHYLPHENYL)BORONIC ACID
C11H17BO3 (208.12706820000002)
Piperidine, 4-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]- (9CI)
(R)-1-(1-(4-FLUOROPHENYL)ETHYL)PIPERAZINE
C12H17FN2 (208.13756940000002)
2-BUTOXY-5-METHYLPHENYLBORONIC ACID
C11H17BO3 (208.12706820000002)
4-Butoxy-2-methylphenylboronic acid
C11H17BO3 (208.12706820000002)
3,5-DIMETHYL-4-PROPOXYPHENYLBORONIC ACID
C11H17BO3 (208.12706820000002)
1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-Pentamethylnaphthyridine
1-Methylpyrazole-4-boronic acid pinacol ester
C10H17BN2O2 (208.13830120000003)
4,4,5,5-Tetramethyl-2-(2-methylfuran-3-yl)-1,3,2-dioxaborolane
C11H17BO3 (208.12706820000002)
3-Amino-6-(2,6-dimethylmorpholin-4-yl)pyridazine
C10H16N4O (208.13240459999997)
2-Pyrrolidinemethanamine,1-ethyl-N-(2-furanylmethyl)-(9CI)
(3-BUTOXY-5-METHYLPHENYL)BORONIC ACID
C11H17BO3 (208.12706820000002)
(3-ISOBUTOXY-5-METHYLPHENYL)BORONIC ACID
C11H17BO3 (208.12706820000002)
1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZOLE
C10H17BN2O2 (208.13830120000003)
1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
C10H17BN2O2 (208.13830120000003)
3-FURAN-2-YL-4-PHENYL-BUTYRIC ACID
C12H17FN2 (208.13756940000002)
6-[(2-amino-2-methyl-propyl)amino]pyridine-3-carboxamide
C10H16N4O (208.13240459999997)
1-(2-fluorobenzyl)piperidin-3-amine(SALTDATA: 2HCl)
C12H17FN2 (208.13756940000002)
2-(4-fluorophenyl)-2-pyrrolidin-1-ylethanamine
C12H17FN2 (208.13756940000002)
2-(Cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one
N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine
C10H16N4O (208.13240459999997)
Tricyclo[4.4.0.03,8]decan-2-one, 8-ethoxy-1-methyl- (9CI)
5-Fluoro-2-(3-methyl-1-piperidinyl)aniline
C12H17FN2 (208.13756940000002)
1-METHYL-1H-IMIDAZOLE-5-BORONIC ACID PINACOL ESTER
C10H17BN2O2 (208.13830120000003)
1-[2-(4-Fluorophenyl)ethyl]piperazine
C12H17FN2 (208.13756940000002)
2-(2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
C12H17FN2 (208.13756940000002)
Cyclohexene-1-boronic acid pinacol ester
C12H21BO2 (208.16345160000003)
3-Methyl-1H-pyrazole-4-boronic acid pinacol ester
C10H17BN2O2 (208.13830120000003)
(4-(TERT-BUTOXYMETHYL)PHENYL)BORONIC ACID
C11H17BO3 (208.12706820000002)
Theaspirone
Theaspirone a is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Theaspirone a is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Theaspirone a can be found in tea, which makes theaspirone a a potential biomarker for the consumption of this food product.
1,4,5,6,7,7a-Hexahydro-1-hydroxy-1,4,4,7a-tetramethyl-2H-inden-2-one
6-amino-5-(piperidin-1-ylmethyl)-1H-pyrimidin-2-one
C10H16N4O (208.13240459999997)
2-(tert-Butoxymethyl)phenylboronic acid
C11H17BO3 (208.12706820000002)
5-tert-Butyl-2-Methoxybenzeneboronic acid
C11H17BO3 (208.12706820000002)
3-[2-(aminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
4,6-Dimethyl-5-morpholin-4-ylpyrimidin-2-amine
C10H16N4O (208.13240459999997)
beta-ionone epoxide
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids (5r,6s)-5,6-epoxy-7-megastigmen-9-one, also known as 5,6-epoxy-beta-ionone, is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (5r,6s)-5,6-epoxy-7-megastigmen-9-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (5r,6s)-5,6-epoxy-7-megastigmen-9-one can be found in garden tomato and root vegetables, which makes (5r,6s)-5,6-epoxy-7-megastigmen-9-one a potential biomarker for the consumption of these food products.
4-(3-Hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol
N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide
1-(2,4,4-Trimethyl-2-cyclohexen-1-yl)-1,3-butanedione
Pyridine, 1-acetyl-1,2,3,4-tetrahydro-5-(2-piperidinyl)-
(1R,4R)-1-(3-Oxo-1-butenyl)-2,6,6-trimethyl-4-hydroxy-2-cyclohexene
4-(3-Hydroxy-1-butynyl)-3,5,5-trimethyl-2-cyclohexen-1-ol
4,4,7a-trimethyl-3a,5,6,7-tetrahydro-3H-indene-1-carboxylic acid
1-Carboxylato-2-phenyl-N,N,N-trimethylethan-1-aminium
(1E,2E,4E,7E)-1-[(oxidoamino)hydrazinylidene]undeca-2,4,7-triene
[(E)-2-(2,6,6-trimethyl-1-cyclohexenyl)ethenyl] acetate
4-Isopropyl-3-methyleneoctahydro-2H-cyclohepta[b]furan-2-one
1-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
1,3,7,7-Tetramethyl-2-oxabicyclo[4.4.0]-5-decen-9-one
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol
beta-ionone 5,6-epoxide
An apo carotenoid monoterpenoid that is beta-ionone substituted by an epoxy group across positions 5 and 6.
(4e)-4-[(3s)-3-hydroxybutylidene]-3,5,5-trimethylcyclohex-2-en-1-one
3-[(1e)-3-hydroxybut-1-en-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
(4z)-4-(3-hydroxybutylidene)-3,5,5-trimethylcyclohex-2-en-1-one
2-(3-hydroxybut-1-en-1-yl)-2,6,6-trimethylcyclohex-3-en-1-one
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl prop-2-enoate
3-[(1e,3r)-3-hydroxybut-1-en-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)butan-2-one
1,4,4,7a-tetramethyl-hexahydroindene-1-carbaldehyde
2-[(2r,4as,8ar)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol
(3e)-4-[(1r,4s)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one
(3as,4r,7s)-3a-hydroxy-7-isopropyl-4-methyl-4,5,6,7-tetrahydro-3h-inden-2-one
11,12,13-trinor-7-calamenone
{"Ingredient_id": "HBIN000249","Ingredient_name": "11,12,13-trinor-7-calamenone","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1(CCC2C13CC(CC3O)C(=O)C2)C","Ingredient_weight": "208.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9417","PubChem_id": "101418274","DrugBank_id": "NA"}
1,6,8-hexadecatriene-10,12,14-triyne
{"Ingredient_id": "HBIN001776","Ingredient_name": "1,6,8-hexadecatriene-10,12,14-triyne","Alias": "NA","Ingredient_formula": "C16H16","Ingredient_Smile": "CC#CC#CC#CC=CC=CCCCC=C","Ingredient_weight": "208.3","OB_score": "NA","CAS_id": "3513-88-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9495","PubChem_id": "13964097","DrugBank_id": "NA"}
1- Cyclohexylnonene
{"Ingredient_id": "HBIN002465","Ingredient_name": "1- Cyclohexylnonene","Alias": "NA","Ingredient_formula": "C15H28","Ingredient_Smile": "CCCCCCCC=CC1CCCCC1","Ingredient_weight": "208.38 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38691","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5364533","DrugBank_id": "NA"}
2,6,10-Trimethylundecan-2,9-dien-4-one
{"Ingredient_id": "HBIN004830","Ingredient_name": "2,6,10-Trimethylundecan-2,9-dien-4-one","Alias": "NA","Ingredient_formula": "C14H24O","Ingredient_Smile": "CC(CCC=C(C)C)CC(=O)C=C(C)C","Ingredient_weight": "208.34 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42050","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "14339650","DrugBank_id": "NA"}
2-Methyl-4-(2,6,6-trimethylcyclohex-1-enyl)but-2-en-1-ol
{"Ingredient_id": "HBIN005974","Ingredient_name": "2-Methyl-4-(2,6,6-trimethylcyclohex-1-enyl)but-2-en-1-ol","Alias": "(E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-2-en-1-ol; (2E)-2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-ol","Ingredient_formula": "C14H24O","Ingredient_Smile": "CC1=C(C(CCC1)(C)C)CC=C(C)CO","Ingredient_weight": "208.34 g/mol","OB_score": "42.81934306","CAS_id": "NA","SymMap_id": "SMIT09981","TCMID_id": "NA","TCMSP_id": "MOL008749","TCM_ID_id": "NA","PubChem_id": "5369482","DrugBank_id": "NA"}
3-hydroxy-β-ionone
{"Ingredient_id": "HBIN008699","Ingredient_name": "3-hydroxy-\u03b2-ionone","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=C(C(CC(C1)O)(C)C)C=CC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15863","TCMID_id": "10232","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3r,6r,7 e)-3-hydroxy-4,7-megastigmadien-9-one
{"Ingredient_id": "HBIN009558","Ingredient_name": "(3r,6r,7 e)-3-hydroxy-4,7-megastigmadien-9-one","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(CC(C1C=CC(=O)C)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10365","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4S, R′)-4-hydroxy-4-(3′-hydroxy-1′-butenyl)-3, 5, 5-trimethyl-2-cyclohexen-1-one-3′-O-β-D-glucopyranoside
{"Ingredient_id": "HBIN010914","Ingredient_name": "(4S, R\u2032)-4-hydroxy-4-(3\u2032-hydroxy-1\u2032-butenyl)-3, 5, 5-trimethyl-2-cyclohexen-1-one-3\u2032-O-\u03b2-D-glucopyranoside","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(=O)CC(C1C=CC(C)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42782","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-cis-cyclotetradecen-1-one
{"Ingredient_id": "HBIN011504","Ingredient_name": "5-cis-cyclotetradecen-1-one","Alias": "NA","Ingredient_formula": "C14H24O","Ingredient_Smile": "C1CCCCC(=O)CCCC=CCCC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4537","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,11-Dimethyl-2,6,10-dodecatrien-1-ol
{"Ingredient_id": "HBIN011999","Ingredient_name": "6,11-Dimethyl-2,6,10-dodecatrien-1-ol","Alias": "(2E,6E)-6,11-dimethyldodeca-2,6,10-trien-1-ol; 6,11-dimethyl-2,6,10-dodecatrien-1-ol","Ingredient_formula": "C14H24O","Ingredient_Smile": "CC(=CCCC=C(C)CCC=CCO)C","Ingredient_weight": "208.34 g/mol","OB_score": "50.82413548","CAS_id": "NA","SymMap_id": "SMIT05993","TCMID_id": "41005","TCMSP_id": "MOL004003","TCM_ID_id": "NA","PubChem_id": "5365863","DrugBank_id": "NA"}
(6 e,9s)-9-hydroxy-4,6-megastigmadien-3-one
{"Ingredient_id": "HBIN012328","Ingredient_name": "(6 e,9s)-9-hydroxy-4,6-megastigmadien-3-one","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(=O)CC(C1=CCC(C)O)(C)C","Ingredient_weight": "208.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10366","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "73354989","DrugBank_id": "NA"}
(6R, 7E)-9-hydroxy-4, 7-me-gastigmadien-3- one
{"Ingredient_id": "HBIN012776","Ingredient_name": "(6R, 7E)-9-hydroxy-4, 7-me-gastigmadien-3- one","Alias": "(6R,7E)-9-hydroxy-4,7-megastigmadien-3-one","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(=O)CC(C1C=CC(C)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42846;42841","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6r,7 e,9r)-9-hydroxy-4,7-megastigmadien-3-one
{"Ingredient_id": "HBIN012778","Ingredient_name": "(6r,7 e,9r)-9-hydroxy-4,7-megastigmadien-3-one","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(=O)CC(C1C=CC(C)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10368","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6z,9s)-9-hydroxy-4,6-megastigmadien-3-one
{"Ingredient_id": "HBIN012839","Ingredient_name": "(6z,9s)-9-hydroxy-4,6-megastigmadien-3-one","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC1=CC(=O)CC(C1=CCC(C)O)(C)C","Ingredient_weight": "208.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10367","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101338768","DrugBank_id": "NA"}
(7 e,9 ξ)-9-hydroxy-5,7-megastigmadien-4-one
{"Ingredient_id": "HBIN013166","Ingredient_name": "(7 e,9 \u03be)-9-hydroxy-5,7-megastigmadien-4-one","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10369","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-ammodendrine
{"Ingredient_id": "HBIN015870","Ingredient_name": "(+)-ammodendrine","Alias": "NA","Ingredient_formula": "C12H20N2O","Ingredient_Smile": "CC(=O)N1CCCC(=C1)C2CCCCN2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1068","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
β-ionone epoxide
{"Ingredient_id": "HBIN018165","Ingredient_name": "\u03b2-ionone epoxide","Alias": "NA","Ingredient_formula": "C13H20O2","Ingredient_Smile": "CC(=O)C=CC12C(CCCC1(O2)C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36858","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}