Exact Mass: 204.1074
Exact Mass Matches: 204.1074
Found 500 metabolites which its exact mass value is equals to given mass value 204.1074,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Acetylcarnitine
Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID A143; [MS2] KO009087 KEIO_ID A143
4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone
4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is found in root vegetables. 4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is a constituent of roots of Polymnia sonchifolia (yacon)
Triethylenemelamine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
Plastoquinone
Plastoquinone is a member of the class of compounds known as prenylquinones. Prenylquinones are quinones with a structure characterized by the quinone ring substituted by an prenyl side-chain. Plastoquinone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Plastoquinone can be found in barley, which makes plastoquinone a potential biomarker for the consumption of this food product. Plastoquinone (PQ) is an isoprenoid quinone molecule involved in the electron transport chain in the light-dependent reactions of photosynthesis. The most common form of plastoquinone, known as PQ-A or PQ-9, is a 2,3-dimethyl-1,4-benzoquinone molecule with a side chain of nine isoprenyl units. There are other forms of plastoquinone, such as ones with shorter side chains like PQ-3 (which has 3 isoprenyl side units instead of 9) as well as analogs such as PQ-B, PQ-C, and PQ-D, which differ in their side chains. The benzoquinone and isoprenyl units are both nonpolar, anchoring the molecule within the inner section of a lipid bilayer, where the hydrophobic tails are usually found .
2-Phenylethyl 3-methyl-2-butenoate
2-Phenylethyl 3-methyl-2-butenoate is a food flavour.
N6-Acetyl-5S-hydroxy-L-lysine
N6-Acetyl-5S-hydroxy-L-lysine is found in root vegetables. N6-Acetyl-5S-hydroxy-L-lysine is produced by Beta vulgaris (sugar beet). Production by Beta vulgaris (sugar beet). N6-Acetyl-5S-hydroxy-L-lysine is found in root vegetables.
6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran
6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran is found in fats and oils. 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran is a constituent of Helianthus annuus (sunflower)
3-Isovalidene-3alpha,4-dihydrophthalide
3-Isovalidene-3alpha,4-dihydrophthalide is found in green vegetables. 3-Isovalidene-3alpha,4-dihydrophthalide is a odorous constituent of celery stem and leaf (Apium graveolens Odorous constituent of celery stem and leaf (Apium graveolens). 3-Isovalidene-3alpha,4-dihydrophthalide is found in wild celery and green vegetables.
3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide
3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide is found in fruits. 3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide is an alkaloid from Morus alba (white mulberry). Alkaloid from Morus alba (white mulberry). 3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide is found in fruits.
cis-3-Hexenyl benzoate
cis-3-Hexenyl benzoate is found in fruits. cis-3-Hexenyl benzoate is a constituent of black tea aroma. Also present in bilberry, lingon berry, cowberry and feijoa fruit and peel. cis-3-Hexenyl benzoate is a flavouring agent. Constituent of black tea aromaand is also present in bilberry, lingon berry, cowberry and feijoa fruit and peel. Flavouring agent. cis-3-Hexenyl benzoate is found in tea and fruits.
Serylvaline
Serylvaline is a dipeptide composed of serine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Valylserine
Valylserine is a dipeptide composed of valine and serine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Butyl cinnamate
Butyl cinnamate is a flavouring ingredient. Flavouring ingredient
Phenethyl tiglate
Phenethyl tiglate is a flavouring ingredient. Flavouring ingredient
3-Hydroxymethylantipyrine
3-Hydroxymethylantipyrine is a metabolite of Antipyrine. 3-hydroxymethylantipyrine belongs to the family of Anilides. These are organic compounds derived from oxoacids RkE(=O)l(OH)m by replacing an OH group by the NHPh group or derivative formed by ring substitution.
alpha,alpha-Dimethylanisalacetone
alpha,alpha-Dimethylanisalacetone is a flavouring ingredien Flavouring ingredient
Hexyl 3-mercaptobutanoate
Hexyl 3-mercaptobutanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Benzyl 2,3-dimethyl-2-butenoate
Benzyl 2,3-dimethyl-2-butenoate is a flavouring agent Flavouring agent
Isobutyl cinnamate
Isobutyl cinnamate is a flavouring ingredient. Flavouring ingredient
(S)-3-Mercaptohexyl butyrate
(S)-3-Mercaptohexyl butyrate is found in fruits. (S)-3-Mercaptohexyl butyrate is isolated from yellow passion fruit (Passiflora edulis). (S)-3-Mercaptohexyl butyrate is a flavouring ingredient. Isolated from yellow passion fruit (Passiflora edulis). Flavouring ingredient. (S)-3-Mercaptohexyl butyrate is found in fruits.
3-Mercaptohexyl butyrate
3-Mercaptohexyl butyrate is a flavouring agent. Flavouring agent
Cinnamyl butyrate
Cinnamyl butyrate is found in pomes. Cinnamyl butyrate is used in orange and citrus food flavouring. Cinnamyl butyrate is present in apple. Cinnamyl butyrate is used in orange and citrus food flavouring. It is found in apple.
Cinnamyl isobutyrate
Cinnamyl isobutyrate is used in food flavouring. It is used in food flavouring
4-Hydroxyantipyrine
4-Hydroxyantipyrine, a major metabolite of the drug antipyrine. Antypyrene is an analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver (PMID: 6121894, 8735513). In man, 30–40\\% of an antipyrine dose is typically oxidized to 4-hydroxyantipyrine. In addition to its use for monitoring drug metabolism, 4-hydroxyantipyrine has also been used as a drug biodistribution promoter (PMID: 11767111). 4-Hydroxyantipyrine is only found in individuals who have taken or received the drug antipyrine.
S-nirvanol
S-nirvanol is a metabolite of mephenytoin. Mephenytoin (marketed as Mesantoin by Novartis) is a hydantoin, used as an anticonvulsant. It was introduced approximately 10 years after phenytoin, in the late 1940s. The significant metabolite of mephenytoin is nirvanol (5-ethyl-5-phenylhydantoin), which was the first hydantoin (briefly used as a hypnotic). However, nirvanol is quite toxic and mephenytoin was only considered after other less toxic anticonvulsants had failed. It can cause potentially fatal blood dyscrasia in 1\\% of patients. (Wikipedia)
N6-Carboxymethyllysine
N6-Carboxymethyllysine (CML), also known as epsilon-(carboxymethyl)lysine, belongs to the class of organic compounds known as L-alpha-amino acids. These are alpha-amino acids which have the L-configuration of the alpha-carbon atom. CML is a Maillard reaction product, or dietary advanced glycation end-products (d-AGE), formed as a result of the thermal treatment of foods. Due to its chemical stability and its ubiquity in foods and in vivo, CML is used as a biomarker for the ingestion of thermally treated foods. CML is metabolized by intestinal bacteria under anaerobic conditions (PMID: 31091091).
N-(3-Amino-2-hydroxy-3-oxopropyl)-L-valine
1-Hydroxycyclohexyl phenyl ketone
D009676 - Noxae > D009153 - Mutagens
[(2S)-6-Amino-1-methoxy-1-oxohexan-2-yl]carbamic acid
(+)-gamma-Hydroxy-L-homoarginine
(+)-gamma-hydroxy-l-homoarginine is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom (+)-gamma-hydroxy-l-homoarginine is soluble (in water) and a moderately acidic compound (based on its pKa). (+)-gamma-hydroxy-l-homoarginine can be found in common pea and lentils, which makes (+)-gamma-hydroxy-l-homoarginine a potential biomarker for the consumption of these food products.
(Z)-3-Hexenylbenzoate
(z)-3-hexenylbenzoate is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid (z)-3-hexenylbenzoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (z)-3-hexenylbenzoate can be found in safflower, which makes (z)-3-hexenylbenzoate a potential biomarker for the consumption of this food product.
4-(3-Methyl-2-butenoxy)-acetophenone
4-(3-methyl-2-butenoxy)-acetophenone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 4-(3-methyl-2-butenoxy)-acetophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4-(3-methyl-2-butenoxy)-acetophenone can be found in lemon, which makes 4-(3-methyl-2-butenoxy)-acetophenone a potential biomarker for the consumption of this food product.
Validene 4,5-dihydrophthalide
Validene 4,5-dihydrophthalide is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Validene 4,5-dihydrophthalide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Validene 4,5-dihydrophthalide can be found in lovage, which makes validene 4,5-dihydrophthalide a potential biomarker for the consumption of this food product.
2-Hydroxyglutaric acid diethyl ester
Flavouring compound [Flavornet]
Tryptophan
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS L-Tryptophan (Tryptophan) is an essential amino acid that is the precursor of serotonin, melatonin, and vitamin B3[1]. L-Tryptophan (Tryptophan) is an essential amino acid that is the precursor of serotonin, melatonin, and vitamin B3[1].
a-Hydroxycyclohexylphenylketone
D009676 - Noxae > D009153 - Mutagens
2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-ol
(2R)-2,3-dihydro-6-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one|(2R)-norpterosin B
(E)-Hydronperoxide-1,5-Tridecadiene-7,9-diyn-4-ol|trans-Trideca-1,5-dien-7,9-diin-4-hydroperoxid
6-hydroxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one|6-hydroxy-3,4-dihydro-1-oxo-beta-carboline
1-[4-hydroxy-3-(3-methyl-1-butenyl)phenyl]ethanone
(E)-4-(1-propen-1-yl)phenyl isobutyrate|4-(prop-(1E)-enyl)phenyl isobutyrate|Anethol-isobutyrate
alpha,alpha-Dimethylbenzenepropanoic acid ethenyl ester
alpha-D-gluco-4-acetylamino-2-amino-2,4,6-trideoxy-hexopyranose; hydrochloride|alpha-D-gluco-4-Acetylamino-2-amino-2,4,6-tridesoxy-hexopyranose; Hydrochlorid
Tryptophan
An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. Annotation level-2 D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 57 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 5 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2721; CONFIDENCE confident structure H-D-Trp-OH is a D-stereoisomer of tryptophan and occasionally found in naturally produced peptides such as the marine venom peptide. H-D-Trp-OH is a D-stereoisomer of tryptophan and occasionally found in naturally produced peptides such as the marine venom peptide. L-Tryptophan (Tryptophan) is an essential amino acid that is the precursor of serotonin, melatonin, and vitamin B3[1]. L-Tryptophan (Tryptophan) is an essential amino acid that is the precursor of serotonin, melatonin, and vitamin B3[1].
1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
Fenozolone
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
D-tryptophan
The D-enantiomer of tryptophan. H-D-Trp-OH is a D-stereoisomer of tryptophan and occasionally found in naturally produced peptides such as the marine venom peptide. H-D-Trp-OH is a D-stereoisomer of tryptophan and occasionally found in naturally produced peptides such as the marine venom peptide.
3-hydroxymethylantipyrine
A pyrazolone that is antipyrine in which one of the hydrogens of the 5-methyl group is substituted by a hydroxymethyl group. It is a metabolite of the analgesic drug, antipyrene.
3-Isovalidene-3a,4-dihydrophthalide
3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide
C-[3-(2-METHOXY-PHENYL)-ISOXAZOL-5-YL]-METHYLAMINE
Hydrazinecarbothioamide,N-[2-(4-morpholinyl)ethyl]-
3-AMINOMETHYL-1H-INDOLE-5-CARBOXYLIC ACID METHYL ESTER
(2E,4E,6E,8E)-9-(4-METHOXY-2,3,6-TRIMETHYL-PHENYL)-3,7-DIMETHYL-NONA-2,4,6,8-TETRAENOICACIDBUTYLESTER
Pyrimidine, 4-ethoxy-2-(1H-imidazol-1-yl)-6-methyl- (9CI)
2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester
(1R)-1-phenyl-2-(trideuteriomethylamino)propan-1-ol,hydrochloride
3-Amino-5-methyl-1H-indole-2-carboxylic acid methyl ester
tert-butyl N-(2-amino-2-sulfanylideneethyl)-N-methylcarbamate
2-[(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YLOXY)METHYL]OXIRANE
1-(1,1-dioxidotetrahydro-3-thienyl)piperazine(SALTDATA: 2HCl)
1-Methyl-1H-benzimidazole-5-carboxylic acid ethyl ester
Ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
9,10-dimethyl-2,6-diazabicyclo[5.4.0]undeca-8,10,12-triene-3,5-dione
Pyrazolo[1,5-a]pyridine-3-carboxylic acid, 2-Methyl-, ethyl ester
6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine
1-Methyl-1H-benzimidazole-6-carboxylic acid ethyl ester
Methyl 1,2-dimethyl-1H-benzo[d]imidazole-5-carboxylate
METHYL(2-METHYL-1H-PYRROLO[2,3-B]PYRIDINE 3-YL)ACETATE
1,2,3,4-Tetrahydro-1,4-methanonaphthalene-2,3-dimethanol
(S)-TERT-BUTYL1-(HYDROXYAMINO)-3-(4-BROMOPHENYL)-1-OXOPROPAN-2-YLCARBAMATE
(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol
3-(2-hydroxyethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-AMINOMETHYL-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
ethyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
1H-Pyrrolo[2,3-b]pyridine-3-propionic acid, 2-methyl- (8CI)
1H-2-Benzopyran-1-one,4,4-diethyl-3,4-dihydro-(9CI)
2-Methyl-2,7-diazaspiro[4.5]decan-1-one hydrochloride (1:1)
6-METHOXY-1-VINYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL
((3aR,4R,6R,6aR)-6-Methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol
Ethyl 7-methylpyrazolo[1,5-a]pyridine-3-carboxylate
2-Propenoic acid,3-phenyl-, 1,1-dimethylethyl ester
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 4,6-dimethyl-, Methyl ester
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 1-Methyl-, ethyl ester
3(2H)-Pyridazinone,4,5-dihydro-5-(hydroxymethyl)-6-phenyl-
4,5-Dihydro-6-(4-methoxyphenyl)pyridazin-3(2H)-one
ethyl 5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
(1R,2S)-1-phenyl-2-(trideuteriomethylamino)propan-1-ol,hydrochloride
5-METHYL-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
(R)-(-)-N-[1-(1-NAPHTHYL)ETHYL]-3,5-DINITROBENZAMIDE
Pyrrolo[1,2-a]pyrazine, 2-(difluoroacetyl)octahydro- (9CI)
2,8-Diazaspiro[4.5]decan-1-one, 2-methyl-, hydrochloride (1:1)
2,8-Diazaspiro[5.5]undecan-1-one, hydrochloride (1:1)
(R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINEHCL
2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
N-METHYL-N-[[5-(PYRIDIN-3-YLOXY)-2-FURYL]METHYL]AMINE
1h-indene-1-acetic acid, 2,3-dihydro-, ethyl ester
8-Fluoro-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt
2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
1,2-Dioxetane, 3,4,4-trimethyl-3-[[(trimethylsilyl)oxy]methyl]-
(2r,3r,4s,5r)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidine
(+)-gamma-Hydroxy-L-homoarginine
(+)-gamma-hydroxy-l-homoarginine is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom (+)-gamma-hydroxy-l-homoarginine is soluble (in water) and a moderately acidic compound (based on its pKa). (+)-gamma-hydroxy-l-homoarginine can be found in common pea and lentils, which makes (+)-gamma-hydroxy-l-homoarginine a potential biomarker for the consumption of these food products.
(2S)-6-[acetyl(hydroxy)amino]-2-azaniumylhexanoate
L-tryptophanamide(1+)
The conjugate acid of L-tryptophanamide arising from protonation of the alpha-amino group; major species at pH 7.3.
N-(gamma-L-glutamyl)-L-alaninol
A N(5)-alkylglutamine obtained by formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of L-alaninol.
(2S)-2-azaniumyl-5-(2-carboxylatoethylazaniumyl)pentanoate
(E,2S)-2-amino-5-(diaminomethylideneamino)-2-(fluoromethyl)pent-3-enoic acid
N-[(2S,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]ethanimidamide
[(2S)-2-acetyloxy-3-carboxypropyl]-trimethylazanium
[(2S)-6-Amino-1-methoxy-1-oxohexan-2-yl]carbamic acid
(2S)-2-azaniumyl-5-{[(1S)-1-carboxylatoethyl]azaniumyl}pentanoate
(4aR,7R,7aS)-7,7a-dimethyl-5,6,7,8-tetrahydro-4aH-cyclopenta[f][1]benzofuran-4-one
3-[(2S)-2-amino-2-carboxyethyl]-1H-indol-1-ium-1-yl
3-[(2R)-2-amino-2-carboxyethyl]-1H-indol-1-ium-1-yl
[(2R)-3-carboxy-2-(2,2,2-trideuterioacetyl)oxypropyl]-trimethylazanium
[(2-Amino-3-methylbutanethioyl)-methylamino]methylboronic acid
1-Chloro-5-(1-ethoxyethoxy)-3-methyl-1,3-pentadiene
N(6)-carboxymethyl-L-lysine
An L-lysine derivative with a carboxymethyl substituent at the N(6)-position.
Diethyl 2-hydroxypentanedioate
A diester obtained by the formal condensation of both the carboxy groups of 2-hydroxyglutaric acid with two molecules of ethanol respectively.
N(5)-(L-1-carboxyethyl)-L-ornithine dizwitterion
Dizwitterionic form of N(5)-(L-1-carboxyethyl)-L-ornithine having anionic carboxy groups and cationic amino groups; major species at pH 7.3.
dipropionin
A diglyceride resulting from the formal condensation of any two of the hydroxy groups of glycerol with the carboxy groups of two molecules of propionic acid (either R1 = H and R2 = propanoyl, or R1 = propanoyl and R2 = H).
N(6)-acetyl-N(6)-hydroxy-L-lysine zwitterion
Zwitterionic form of N(6)-acetyl-N(6)-hydroxy-L-lysine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3
norpinguisone
A natural product found particularly in Porella chilensis and Porella navicularis.
N-(gamma-L-glutamyl)-L-alaninol zwitterion
An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N-(gamma-L-glutamyl)-L-alaninol; major species at pH 7.3.
(4as,7s,7ar)-7,7a-dimethyl-4ah,5h,6h,7h,8h-indeno[5,6-b]furan-4-one
(2s)-2-{[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}-3-hydroxypropanoic acid
n-[(2r,3s,4r,5r,6s)-5-amino-4,6-dihydroxy-2-methyloxan-3-yl]ethanimidic acid
(2r,3r,6r)-2-chloro-3-hydroxy-6-isopropyl-3-methylcyclohexan-1-one
1-[4-hydroxy-3-(3-methylbut-1-en-1-yl)phenyl]ethanone
2,5-dimethyl-4-Methoxyphenanthrene
{"Ingredient_id": "HBIN004652","Ingredient_name": "2,5-dimethyl-4-Methoxyphenanthrene","Alias": "NA","Ingredient_formula": "C9H18NO4+","Ingredient_Smile": "CC(=O)OC(CC(=O)O)C[N+](C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42556","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hexenyl benzoate
{"Ingredient_id": "HBIN005685","Ingredient_name": "2-hexenyl benzoate","Alias": "NA","Ingredient_formula": "C13H16O2","Ingredient_Smile": "CCCC=CCOC(=O)C1=CC=CC=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9525","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
