Exact Mass: 218.0435184
Exact Mass Matches: 218.0435184
Found 500 metabolites which its exact mass value is equals to given mass value 218.0435184,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
4-Methylumbelliferyl acetate
Isolated from fenugreek (Trigonella foenum-graecum). 4-Methylumbelliferyl acetate is found in herbs and spices, green vegetables, and fenugreek. 4-Methylumbelliferyl acetate is found in fenugreek. 4-Methylumbelliferyl acetate is isolated from fenugreek (Trigonella foenum-graecum).
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene
C12H10O2S (218.04014800000002)
Baldrinal
Baldrinal is an arenecarbaldehyde. Baldrinal is a natural product found in Nardostachys jatamansi, Valeriana officinalis, and other organisms with data available. Baldrinal is derived from the extracts of valerian rhizomes and roots, inhibits autonomic activity, and has anti-inflammatory effects[1].
2,7-dihydroxy-5-methyl-1-naphthoic acid
A member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2 and 7 by hydroxy groups and at position 5 by a methyl group.
Piperic acid
obtained from black pepper (Piper nigrum), from Minthostachys verticillata, peppermint (Mentha piperita) and others. Piperic acid is found in herbs and spices and pepper (spice). Piperic acid is found in herbs and spices. Piperic acid is obtained from black pepper (Piper nigrum), from Minthostachys verticillata, peppermint (Mentha piperita) and others.
8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone
8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone is found in fruits. Root constituent of Diospyros kaki (Japanese persimmon) Scabies is a common, highly pruritic infestation of the skin caused by Sarcoptes scabiei (lice). It is a very contagious condition with specific lesions, such as burrows, and nonspecific lesions, such as papules, vesicles and excoriations. The typical areas of the body it affects are finger webs, scalp (hair), wrists, axillary folds, abdomen, buttocks, inframammary folds and genitalia (males). It is characterized by intense night-time itching. Scabies is spread through close personal contact (relatives, sexual partners, schoolchildren, chronically ill patients and crowded communities). Scabies infestations and the corresponding symptoms can be eliminated by killing the scabies with topical insecticides or scabicides. Lindane is a scabicide that is essentially and organochloride insecticide Root constituent of Diospyros kaki (Japanese persimmon)
Liqcoumarin
Liqcoumarin is found in herbs and spices. Liqcoumarin is isolated from Glycyrrhiza glabra (licorice
Diphenyl disulfide
Diphenyl disulfide is a flavouring ingredient Diphenyl disulfide is the chemical compound with the formula [C6H5S]2. This colorless crystalline material is often abbreviated Ph2S2. It is one of the most popular organic disulfides used in organic synthesis. Minor contamination by thiophenol is responsible for the disagreeable odour associated with this compound Flavouring ingredient
(E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol
(E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol is found in fats and oils. (E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol is isolated from Carthamus tinctorius (safflower). Isolated from Carthamus tinctorius (safflower). (E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol is found in fats and oils and herbs and spices.
(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid
(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid is found in pulses. (S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid is a metabolite of Phoxim
3-(Isothiocyanatomethyl)-1-methoxy-1H-indole
3-(Isothiocyanatomethyl)-1-methoxy-1H-indole is found in brassicas. Intermediate in the enzymic hydrolysis of 3-Indolylmethyl glucosinolate
Tyrosol 4-sulfate
Tyrosol 4-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Vasicinolone
Pyrrolo(2,1-b)quinazolin-9(1H)-one, 2,3-dihydro-3,7-dihydroxy-, (3S)- is a natural product found in Justicia adhatoda with data available.
clorofene
D000890 - Anti-Infective Agents CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5300; ORIGINAL_PRECURSOR_SCAN_NO 5299 CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5273; ORIGINAL_PRECURSOR_SCAN_NO 5268 CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5197; ORIGINAL_PRECURSOR_SCAN_NO 5193 CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5224; ORIGINAL_PRECURSOR_SCAN_NO 5220 CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5222; ORIGINAL_PRECURSOR_SCAN_NO 5220 CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5298; ORIGINAL_PRECURSOR_SCAN_NO 5296 DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5298; CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; ORIGINAL_PRECURSOR_SCAN_NO 5296 CONFIDENCE standard compound; INTERNAL_ID 2366 CONFIDENCE standard compound; INTERNAL_ID 4230 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8634 CONFIDENCE standard compound; INTERNAL_ID 8140
4,4-Thiodiphenol
C12H10O2S (218.04014800000002)
CONFIDENCE standard compound; INTERNAL_ID 8048
Diphenyl sulfone
C12H10O2S (218.04014800000002)
A sulfone compound having two S-phenyl substituents. It has been found in plants like Gnidia glauca and Dioscorea bulbifera.
Tri-Me ether,dinitrile-3,5-Di-Me ether-3,4,5-Trihydroxy-1,2-benzenedicarboxylic acid
2-Naphthalenecarboxylic acid, 4-hydroxy-5-methoxy-
Metallibure
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
(+-)-2-Chlor-trideca-3t,11t-dien-5,7,9-triin-1-ol|(+-)-2-chloro-trideca-3t,11t-diene-5,7,9-triyn-1-ol|(-)-2-Chlor-trideca-3t,11t-dien-5,7,9-triin-1-ol|(-)-2-chloro-trideca-3t,11t-diene-5,7,9-triyn-1-ol|2-chloro-trideca-3t,11t-diene-5,7,9-triyn-1-ol
4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl-
2-Naphthalenecarboxylic acid, 5-hydroxy-4-methoxy-
7-acetoxy-8-methyl-2H-chromen-2-one|7-acetoxy-8-methyl-chromen-2-one|7-Acetoxy-8-methyl-cumarin
(2E)-3-(5-methoxybenzofuran-6-yl)prop-2-enoic acid|lenceolune C
1,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
(+)-(S)-2-(3-hydroxy-4-methoxy-2-oxoindolin-3-yl)acetonitrile
(5S)-5-(1,8-dihydroxyocta-2,4,6-triyn-1-yl)dihydrofuran-2(3H)-one|1,8-dihydroxy-3,4-dihydrovernoniyne
(4S,5R)-4-hydroxy-5-(8-hydroxyocta-2,4,6-triyn-1-yl)dihydrofuran-2(3H)-one|4,8-dihydroxy-3,4-dihydrovernoniyne
2,8-Decadiene-4,6-diynedioic acid-Di-Me ester|Deca-2,8-dien-4,6-diindisaeure-dimethylester|deca-2,8-diene-4,6-diynedioic acid dimethyl ester|Deca-2t,8t-dien-4,6-diindisaeure-dimethylester|deca-2t,8t-diene-4,6-diynedioic acid dimethyl ester|Decadien-2,8-diin-4,6-disaeure-1,10-dimethylester
2-Methyl-3-(hydroxymethyl)-5-hydroxy-1,4-naphthoquinone
Sodium_gluconate
Sodium gluconate is an organic sodium salt having D-gluconate as the counterion. It has a role as a chelator. It contains a D-gluconate. Sodium Gluconate is the sodium salt of gluconic acid with chelating property. Sodium gluconate chelates and forms stable complexes with various ions, preventing them from engaging in chemical reactions. Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor. Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor.
Diphenylsulfone
C12H10O2S (218.04014800000002)
CONFIDENCE standard compound; INTERNAL_ID 8087
Chlorophene
CONFIDENCE Reference Standard (Level 1); Source chlorophene_28102013_09_HCD70.txt
C11H7ClN2O_3-(4-Chloro-1,3-oxazol-5-yl)-1H-indole
C11H7ClN2O (218.02468819999999)
4-Methylumbelliferyl acetate
An acetate ester consiting of umbelliferone carrying a 7-O-acetyl group.
(E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol
5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
4(1H)-Pyrimidinone,2,3-dihydro-5-(phenylmethyl)-2-thioxo-
Propanedioic acid,2-(3-phenyl-2-propen-1-ylidene)-
3,3,3-trifluoropropyltrimethoxysilane
C6H13F3O3Si (218.05860239999998)
2,4(1H,3H)-Pyrimidinedione,5-[(4-hydroxyphenyl)methyl]-
methyl 4-phenylthiophene-3-carboxylate
C12H10O2S (218.04014800000002)
1-Methyl-3-[3-(trifluoromethyl)phenyl]urea
C9H9F3N2O (218.06669399999998)
(3-Fluoro-4-(methylsulfonyl)phenyl)boronic acid
C7H8BFO4S (218.02203699999998)
3-(3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL)-PROPIONIC ACID
3-(3-METHYL-5-OXO-4,5-DIHYDRO-PYRAZOL-1-YL)-BENZOIC ACID
3-Quinolinecarbonitrile, 4-chloro-7-Methoxy-
C11H7ClN2O (218.02468819999999)
ethyl 2-oxo-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)acetate
ethyl 2-oxo-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetate
1-amino-2-nitroso-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one,hydrochloride
(1R,2R,4R)-2-BROMO-1-ISOPROPYL-4-METHYLCYCLOHEXANE
4-(Thien-2-ylmethyl)benzoic acid
C12H10O2S (218.04014800000002)
Ethanone, 2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)- (9CI)
3-fluoro-4-(Methylsulfonylamino)benzylamine
C8H11FN2O2S (218.05252380000002)
2H-1-Benzopyran-5-carboxylicacid,6-methyl-2-oxo-,methylester(9CI)
3-(5-CHLOROBENZOFURAN-2-YL)-1H-PYRAZOLE
C11H7ClN2O (218.02468819999999)
4-Chloro-2-(tert-Butylamino)-5-thiazolecarboxaldehyde
C8H11ClN2OS (218.02805859999998)
4-hydroxy-[1,6]naphthyridine-3-carboxylic acid ethyl ester
2-Oxo-6-phenyl-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid
6-OXO-1-PHENYL-1,4,5,6-TETRAHYDRO-PYRIDAZINE-3-CARBOXYLIC ACID
Ethyl 1-formylimidazo[1,5-a]pyridine-3-carboxylate
3-amino-N-methyl-5-(trifluoromethyl)benzamide
C9H9F3N2O (218.06669399999998)
2-amino-2-[4-(trifluoromethyl)phenyl]acetamide
C9H9F3N2O (218.06669399999998)
4-Chloro-6-methoxy quinoline-3-carbonitrile
C11H7ClN2O (218.02468819999999)
2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDRO-3H-QUINAZOLIN-4-ONE
C9H9F3N2O (218.06669399999998)
Acifran
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98151 - Niacin-based Antilipidemic Agent
5-(4-Methoxyphenyl)thiophene-2-carboxaldehyde
C12H10O2S (218.04014800000002)
6-(4-FLUOROPHENYL)IMIDAZO[2,1-B]THIAZOLE
C11H7FN2S (218.03139539999998)
2-Phenylpyrimidine-5-carbonyl chloride 97
C11H7ClN2O (218.02468819999999)
7-FLUORO-6-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE
5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-MERCAPTO-3(2H)-PYRIDAZINONE
C8H11ClN2OS (218.02805859999998)
2-Pyridinemethanol,3,5-dimethyl-4-nitro-, hydrochloride
3-amino-2-cyano-5-(4-fluorophenyl)thiophene
C11H7FN2S (218.03139539999998)
[2-Fluoro-4-(methylsulfonyl)phenyl]boronic acid
C7H8BFO4S (218.02203699999998)
2,4,6-trimethyl-4-phenyl-1,3-dioxane
Fragrance ingredient with a grapefruit-like aroma
1-MERCAPTO[1,2,4]TRIAZOLO[4,3-A]QUINOXALIN-4(5H)-ONE
5-(2-methoxyphenyl)thiophene-2-carbaldehyde
C12H10O2S (218.04014800000002)
3-AMINO-3-(2,4,5-TRIFLUORO-PHENYL)-PROPIONIC ACID AMIDE
C9H9F3N2O (218.06669399999998)
2-methoxy-5-thiophen-2-ylbenzaldehyde
C12H10O2S (218.04014800000002)
5-Acetomino-2-amino Benzotrifluoride
C9H9F3N2O (218.06669399999998)
5-Amino-3-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
2-chloro-6-methoxyquinoline-3-carbonitrile
C11H7ClN2O (218.02468819999999)
Methanesulfonic acid,1,1,1-trifluoro-, 1,2-dimethyl-1-propen-1-yl ester
2-AMINO-5-(4-CHLORO-PHENYL)-FURAN-3-CARBONITRILE
C11H7ClN2O (218.02468819999999)
5,6-DIHYDRO-9-METHOXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE
5-AMINO-1-(2-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
4-Amino-2-(trifluoromethyl)acetanilide
C9H9F3N2O (218.06669399999998)
(3S)-(-)-3-(Trifluoroacetamido)pyrrolidine hydrochloride
2-Chloro-3-ethoxy-6-fluorophenylboronic acid
C8H9BClFO3 (218.03172759999998)
4-Chloro-3-ethoxy-2-fluorophenylboronic acid
C8H9BClFO3 (218.03172759999998)
4-Chloro-5-methoxy-3-quinolinecarbonitrile
C11H7ClN2O (218.02468819999999)
4-chloro-2-Methylbenzofuropyrimidine
C11H7ClN2O (218.02468819999999)
SODIUM (2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-THIOLATE
2,3-Dihydro-5-chloro-1H-cyclopenta[b]quinolin-9-amine
METHYL4-PHENYLTHIOPHENE-2-CARBOXYLATE
C12H10O2S (218.04014800000002)
(6-chloropyridazin-3-yl)-phenylmethanone
C11H7ClN2O (218.02468819999999)
4-Chloro-7-hydroxy-6-methyl-3-quinolinecarbonitrile
C11H7ClN2O (218.02468819999999)
2-amino-N-[3-(trifluoromethyl)phenyl]acetamide
C9H9F3N2O (218.06669399999998)
3-HYDROXY-4-(METHYLTHIO)-[1,1-BIPHENYL]-4-CARBALDEHYDE
C12H10O2S (218.04014800000002)
DIMETHYL 4-OXOTETRAHYDROTHIOPHENE-2,3-DICARBOXYLATE
Propanenitrile,3-[1-(2-benzothiazolyl)hydrazino]-(9CI)
4-chloro-8-methoxyquinoline-3-carbonitrile
C11H7ClN2O (218.02468819999999)
2-[4-(4,5-Dihydro-1,3-thiazol-2-yl)phenoxy]acetonitrile
(3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid
C8H9BClFO3 (218.03172759999998)
Thiazolo[5,4-g]quinolin-6(5H)-one, 7,8-dihydro-2-methyl- (9CI)
ETHYL 4-AMINO-2-(METHYLTHIO)THIAZOLE-5-CARBOXYLATE
N-[(2-chlorophenyl)methyl]pyridin-2-amine,dihydrochloride
4-Methyl-5-phenylthiophene-2-carboxylic acid
C12H10O2S (218.04014800000002)
4-Chloro-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
DL-Lysine-1,2-13C2 dihydrochloride
C6H16Cl2N2O2 (218.05887760000002)
2-amino-6-azanylhexanoic acid,dihydrochloride
C6H16Cl2N2O2 (218.05887760000002)
tert-Butyl (5-fluorothiazol-2-yl)carbamate
C8H11FN2O2S (218.05252380000002)
2,2,2-trifluoro-1-(4-methoxy-2-methylphenyl)ethanone
2-chloro-7-methoxyquinoline-3-carbonitrile
C11H7ClN2O (218.02468819999999)
2-(4-chlorophenyl)pyrimidine-5-carbaldehyde
C11H7ClN2O (218.02468819999999)
2-[4-(4-FLUOROPHENYL)-1,3-THIAZOL-2-YL!ACETONITRILE
C11H7FN2S (218.03139539999998)
2-CHLORO-6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE, , HYDROCHLORIDE
Benzylthiouracil
H - Systemic hormonal preparations, excl. sex hormones and insulins > H03 - Thyroid therapy > H03B - Antithyroid preparations > H03BA - Thiouracils
6-amino-2-azanylhexanoic acid,dihydrochloride
C6H16Cl2N2O2 (218.05887760000002)
2-[(2-FURYLMETHYL)SULFONYL]-N-HYDROXYETHANIMIDAMIDE
2-[2-(trifluoromethyl)phenyl]acetohydrazide
C9H9F3N2O (218.06669399999998)
4-chloro-6-cyano-7-methoxyquinoline
C11H7ClN2O (218.02468819999999)
5-METHYL-4-PHENYL-THIOPHENE-3-CARBOXYLIC ACID
C12H10O2S (218.04014800000002)
3-Pyridinesulfonamide,1-ethoxy-1,2-dihydro-2-oxo-(9CI)
2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-amine
4-(6-Chloropyridazin-3-yl)benzaldehyde
C11H7ClN2O (218.02468819999999)
5-(3-METHOXY-PHENYL)-THIOPHENE-2-CARBALDEHYDE
C12H10O2S (218.04014800000002)
5-(4-Methylphenyl)thiophene-2-boronic acid
C11H11BO2S (218.05727760000002)
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
3-[1-(1,3-BENZOTHIAZOL-2-YL)HYDRAZINO]-PROPANENITRILE
C7H11ClN4S (218.03929159999998)
(3R)-(+)-3-(Trifluoroacetamido)pyrrolidine Hydrochloride
1,4-Dioxane-2,5-dione;1,3-dioxan-2-one
D001697 - Biomedical and Dental Materials
(2Z,4E)-2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
Isochavicinic acid
Piperic acid, also known as piperate, is a member of the class of compounds known as benzodioxoles. Benzodioxoles are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Piperic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Piperic acid can be found in herbs and spices and pepper (spice), which makes piperic acid a potential biomarker for the consumption of these food products. Piperic acid is a chemical often obtained by the base-hydrolysis of the alkaloid piperine from black pepper, followed by acidification of the corresponding salt. Piperic acid is an intermediate in the synthesis of other compounds such as piperonal, and as-such may be used to produce fragrances, perfumes flavorants and drugs as well as other useful compounds .
Sodium gluconate
Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor. Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor.
O-succinyl-L-homoserinate(1-)
An alpha-amino-acid anion that is the conjugate base of O-succinyl-L-homoserine having anionic carboxy groups and a protonated amino group; major species at pH 7.3.
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene
C12H10O2S (218.04014800000002)
(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate
C11H6O5-2 (218.02152260000003)
(3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoate(2-)
C11H6O5-2 (218.02152260000003)
7-methyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
C7H5F3N4O (218.04154359999998)
(2R)-2-acetamido-3-[(S)-prop-2-ene-1-sulfinyl]propanoate
C8H12NO4S- (218.04870119999998)
3-(5-Hydroxyindol-3-yl)pyruvate
A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-(5-hydroxyindol-3-yl)pyruvic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
2,2,3-trihydroxydiphenyl ether
Diphenyl ether in which the hydrogens at the 2, 3, and 2 positions are substituted by hydroxy groups.
(1S,2R)-1,2-dihydrodibenzothiophene-1,2-diol
C12H10O2S (218.04014800000002)
(4-methoxyindol-3-ylmethyl)isothiocyanate
A member of the class of indoles that is 1H-indole carrying isothiocyanatomethyl and methoxy substituents at positions 3 and 4 respectively.
3-(isothiocyanatomethyl)-1-methoxyindole
A member of the class of indoles that is 1H-indole carrying methoxy and isothiocyanatomethyl substituents at positions 1 and 3 respectively.
(E,E)-Piperic Acid
A monocarboxylic acid that is (E)-penta-2,4-dienoic acid substituted by a 1,3-benzodioxol-5-yl group at position 5. It has been isolated from black pepper (Piper nigrum).
4-Ethylcatechol sulfate
9-ethyl-3,3-dioxo-2,4-dioxa-3λ6-thiabicyclo[3.3.1]nona-1(9),5,7-triene-6,7-diol
(2e,4z)-4,8-dichloro-3,7-dimethylocta-2,4,6-trienal
3-(1-benzofuran-4-yl)-2-methyloxirane-2-carboxylic acid
1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methyl-1-oxobutan-2-yl-acetate
{"Ingredient_id": "HBIN002060","Ingredient_name": "1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methyl-1-oxobutan-2-yl-acetate","Alias": "NA","Ingredient_formula": "C12H10O4","Ingredient_Smile": "COC1=C(C2=C(C=C1)C=CC(=O)O2)CC=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39514","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-ethoxy juglone
{"Ingredient_id": "HBIN008514","Ingredient_name": "3-ethoxy juglone","Alias": "NA","Ingredient_formula": "C12H10O4","Ingredient_Smile": "CCOC1=CC(=O)C2=C(C1=O)C(=CC=C2)O","Ingredient_weight": "218.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40031","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15399877","DrugBank_id": "NA"}
5-acetyl-7-hydroxy-2-methylbenzopyran-γ-one
{"Ingredient_id": "HBIN011363","Ingredient_name": "5-acetyl-7-hydroxy-2-methylbenzopyran-\u03b3-one","Alias": "NA","Ingredient_formula": "C12H10O4","Ingredient_Smile": "CC1=CC(=O)C2=C(O1)C=C(C=C2C(=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14147","TCMID_id": "423","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2e,4z,6e)-4,8-dichloro-3,7-dimethylocta-2,4,6-trienal
(2e)-3-(5-methoxy-1-benzofuran-6-yl)prop-2-enoic acid
(s)-((3,4,5-trimethylthiophen-2-yl)methyl methanesulfinate)
(2z)-2-[(3,4-dihydroxyphenyl)methylidene]-5-methylfuran-3-one
5-(2-formyl-3-hydroxyphenyl)penta-2,4-dienoic acid
1,10-dimethyl (2e,8e)-deca-2,8-dien-4,6-diynedioate
(2r,3s)-3-(1-benzofuran-4-yl)-2-methyloxirane-2-carboxylic acid
3-(4-chloro-1,3-oxazol-5-yl)-1h-indole
C11H7ClN2O (218.02468819999999)