Exact Mass: 200.0637
Exact Mass Matches: 200.0637
Found 500 metabolites which its exact mass value is equals to given mass value 200.0637
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Camalexin
Camalexin is an indole phytoalexin that is indole substituted at position 3 by a 1,3-thiazol-2-yl group. It has a role as a metabolite. It is an indole phytoalexin and a member of 1,3-thiazoles. Camalexin is a natural product found in Arabidopsis, Arabidopsis thaliana, and Camelina sativa with data available. Camalexin is found in fats and oils. Camalexin is an alkaloid from the leaves of Camelina sativa (false flax) infected by the fungus Alternaria brassica Alkaloid from the leaves of Camelina sativa (false flax) infected by the fungus Alternaria brassicae. Camalexin is found in fats and oils. An indole phytoalexin that is indole substituted at position 3 by a 1,3-thiazol-2-yl group. D000890 - Anti-Infective Agents Camalexin is a phytoalexin isolated from Camelina sativa (Cruciferae) with antibacterial, antifungal, antiproliferative and anticancer activities. Camalexin can induce reactive oxygen species (ROS) production[1][2][3]. Camalexin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=135531-86-1 (retrieved 2024-08-14) (CAS RN: 135531-86-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Bisphenol F
4,4'-Dihydroxydiphenylmethane is a phenolic derivative with antioxidant activities[1]. 4,4'-Dihydroxydiphenylmethane is a phenolic derivative with antioxidant activities[1].
2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, (R)-
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Same as: D01244 Tegafur (FT 207; NSC 148958) is a chemotherapeutic 5-FU proagent used in the treatment of cancers; is a component of tegafur-uracil.
Safynol
Isolated from diseased Carthamus tinctorius (safflower). Safynol is found in safflower, fats and oils, and herbs and spices. Safynol is found in fats and oils. Safynol is isolated from diseased Carthamus tinctorius (safflower).
Monobenzone
Monobenzone is the monobenzyl ether of hydroquinone used medically for depigmentation. Monobenzone occurs as a white, almost tasteless crystalline powder, soluble in alcohol and practically insoluble in water. The topical application of monobenzone in animals increases the excretion of melanin from the melanocytes. The same action is thought to be responsible for the depigmenting effect of the drug in humans. Monobenzone may cause destruction of melanocytes and permanent depigmentation. D - Dermatologicals Same as: D05072
2,2'-Methylenediphenol
CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4380; ORIGINAL_PRECURSOR_SCAN_NO 4378 CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4391; ORIGINAL_PRECURSOR_SCAN_NO 4390 CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4432; ORIGINAL_PRECURSOR_SCAN_NO 4427 CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4033; ORIGINAL_PRECURSOR_SCAN_NO 4030 CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4411; ORIGINAL_PRECURSOR_SCAN_NO 4406 CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4412; ORIGINAL_PRECURSOR_SCAN_NO 4408
Alanylclavam
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002969 - Clavulanic Acids D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
5-Methylangelicin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvic acid
A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is replaced by a 5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl group (the 1R,2S,5R,6S stereoisomer).
3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin
3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin is found in alcoholic beverages. 3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin is a constituent of hops
(Z)-3-(1-Butenyl)-1H-2-benzopyran-1-one
(E)-3-(1-Butenyl)-1H-2-benzopyran-1-one is found in herbs and spices. (E)-3-(1-Butenyl)-1H-2-benzopyran-1-one is a constituent of Artemisia dracunculus (tarragon)
(Z)-3-(1-Formyl-1-propenyl)pentanedioic acid
(Z)-3-(1-Formyl-1-propenyl)pentanedioic acid is found in fats and oils. (Z)-3-(1-Formyl-1-propenyl)pentanedioic acid is a constituent of olives (Olea europaea). Constituent of olives (Olea europaea). (Z)-3-(1-Formyl-1-propenyl)pentanedioic acid is found in fats and oils, herbs and spices, and fruits.
1,3-Diethyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
1-(2-Hydroxyethoxy)methyl-5-methyluracil
Benzo[alpha]pyrene
(3S,8As)-7-hydroxy-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
4-Deoxy-2,3-dihydromycosinol
4-deoxy-2,3-dihydromycosinol is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. 4-deoxy-2,3-dihydromycosinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-deoxy-2,3-dihydromycosinol can be found in roman camomile, which makes 4-deoxy-2,3-dihydromycosinol a potential biomarker for the consumption of this food product.
(7E)-4-Deoxy-2,3-dihydromycosinol
(7e)-4-deoxy-2,3-dihydromycosinol, also known as tonghaosu, is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals (7e)-4-deoxy-2,3-dihydromycosinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (7e)-4-deoxy-2,3-dihydromycosinol can be found in german camomile, which makes (7e)-4-deoxy-2,3-dihydromycosinol a potential biomarker for the consumption of this food product.
(6R)-(+)-Goniothalamin; (R)-(+)-Goniothalamin; (R)-Goniothalamin
ronidazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent ORIGINAL_ACQUISITION_NO 7869; CONFIDENCE standard compound; INTERNAL_ID 892; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 7868 CONFIDENCE standard compound; INTERNAL_ID 892; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7869; ORIGINAL_PRECURSOR_SCAN_NO 7868 CONFIDENCE standard compound; INTERNAL_ID 892; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4231; ORIGINAL_PRECURSOR_SCAN_NO 4227 CONFIDENCE standard compound; INTERNAL_ID 892; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4244; ORIGINAL_PRECURSOR_SCAN_NO 4242 CONFIDENCE standard compound; INTERNAL_ID 892; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4251; ORIGINAL_PRECURSOR_SCAN_NO 4249 CONFIDENCE standard compound; INTERNAL_ID 892; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4259; ORIGINAL_PRECURSOR_SCAN_NO 4256 CONFIDENCE standard compound; INTERNAL_ID 892; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4251; ORIGINAL_PRECURSOR_SCAN_NO 4248 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3695 CONFIDENCE standard compound; INTERNAL_ID 1071
N,N-Dimethyl-N-phenylsulfamide
A member of the class of sulfamides that is N-phenylsulfuric diamide substituted by two methyl groups at the amino nitrogen atom. It is a metabolite of the agrochemical dichlofluanid. CONFIDENCE standard compound; EAWAG_UCHEM_ID 296 CONFIDENCE standard compound; INTERNAL_ID 2042
4-Amino-N,N-dimethylbenzenesulfonamide
CONFIDENCE standard compound; INTERNAL_ID 2462 CONFIDENCE standard compound; INTERNAL_ID 8784 CONFIDENCE standard compound; INTERNAL_ID 8212 CONFIDENCE standard compound; INTERNAL_ID 4170 INTERNAL_ID 4170; CONFIDENCE standard compound
(E) en-yn-dicycloether|(E)-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene|(E)-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4,4]non-3-ene|(E)-tonghaosu|2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4,4]non-3-ene|2-(Hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4,4]non-3-ene|cis-2-(2,4-Hexadiinyliden)-1,6-dioxaspiro[5,5]nonen-(3)|cis-2-(6-(3H)-2,4-Hexadiinyliden)1,6-dioxaspiro[5,5]nonen-(3)|cis-2-<6-(3H)-2,4-Hexadiinyliden>1,6-dioxaspiro<5,5>nonen-(3)
1-Aldehyde,Me ester-4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid|4-methoxy-3-(3-methylbut-3-en-1-ynyl)benzaldehyde|4-methoxy-3-(3-methylbut-3-en-1-yl)benzaldehyde|4-methoxy-3-(3-methylbut-3-en-1-ynyl)benzaldehyde|eutypine|eutypine methyl ether|methyleutypine
trideca-1,5t-diene-7,9,11-triyne-3,4-diol|Tridecadiin-(7.9.11)-dien-(1.5t)-diol-(3.4)
6-(Hydroxymethyl)-8-hydroxy-3,4,5,6-tetrahydro-1H,8H-pyrano[3,4-c]pyran-1-one
2,4-Dihydroxydiphenylmethane
CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4391; ORIGINAL_PRECURSOR_SCAN_NO 4390 CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4412; ORIGINAL_PRECURSOR_SCAN_NO 4408 CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4380; ORIGINAL_PRECURSOR_SCAN_NO 4378 CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4411; ORIGINAL_PRECURSOR_SCAN_NO 4406 CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4432; ORIGINAL_PRECURSOR_SCAN_NO 4427 CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4444; ORIGINAL_PRECURSOR_SCAN_NO 4439
3-hydroxy-5-methoxybiphenyl
A natural product found in Rhaphiolepis indica var. tashiroi.
34W9GO6B2Z
Goniothalamin is a natural product found in Cryptocarya latifolia, Cryptocarya wyliei, and other organisms with data available.
Bisphenol_F
Bisphenol F is a bisphenol that is methane in which two of the hydrogens have been replaced by 4-hydroxyphenyl groups. It has a role as an environmental food contaminant and a xenoestrogen. It is a diarylmethane and a bisphenol. 4,4-Methylenediphenol is a natural product found in Galeola faberi, Xanthium strumarium, and other organisms with data available. 4,4'-Dihydroxydiphenylmethane is a phenolic derivative with antioxidant activities[1]. 4,4'-Dihydroxydiphenylmethane is a phenolic derivative with antioxidant activities[1].
Camalexin
D000890 - Anti-Infective Agents IPB_RECORD: 278; CONFIDENCE confident structure Camalexin is a phytoalexin isolated from Camelina sativa (Cruciferae) with antibacterial, antifungal, antiproliferative and anticancer activities. Camalexin can induce reactive oxygen species (ROS) production[1][2][3].
tegafur
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Same as: D01244 Tegafur (FT 207; NSC 148958) is a chemotherapeutic 5-FU proagent used in the treatment of cancers; is a component of tegafur-uracil.
Methiocarb-TP methiocarb sulfone phenol (M05)
CONFIDENCE standard compound; UCHEM_ID 4204
4-Amino-6-(tert-butyl)-3-mercapto-1,2,4-triazin-5(4H)-one
CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3767; ORIGINAL_PRECURSOR_SCAN_NO 3764 CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3840; ORIGINAL_PRECURSOR_SCAN_NO 3835 CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3753; ORIGINAL_PRECURSOR_SCAN_NO 3749 CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3830; ORIGINAL_PRECURSOR_SCAN_NO 3828 CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3791; ORIGINAL_PRECURSOR_SCAN_NO 3787 CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3792; ORIGINAL_PRECURSOR_SCAN_NO 3789
Methyl 1-Naphthaleneacetate
CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4391; ORIGINAL_PRECURSOR_SCAN_NO 4390 CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4412; ORIGINAL_PRECURSOR_SCAN_NO 4408 CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4380; ORIGINAL_PRECURSOR_SCAN_NO 4378 CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4411; ORIGINAL_PRECURSOR_SCAN_NO 4406 CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4432; ORIGINAL_PRECURSOR_SCAN_NO 4427 CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4444; ORIGINAL_PRECURSOR_SCAN_NO 4439
2-(2,4-Hexadiynylidene)-1,6-dioxaspiro(4.4)non-3-ene
4-(4-Methyl-3-pentenyl)-1,2-dithia-4-cyclohexene
1H-Benzimidazole,2-methyl-1-(trifluoromethyl)-(9CI)
1H-Pyrazole-4-carboxylicacid,3-(methoxymethoxy)-,ethylester(9CI)
Nifuratrone
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent
6-Acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
Methyl 2-((dimethylamino)Methyl)thiazole-4-carboxylate
Pyrimido[1,2-a]benzimidazol-4(10H)-one, 2-amino- (9CI)
Ethanimidamide,2-(phenylmethoxy)-, hydrochloride (1:1)
ethyl 2-oxo-2-(4-oxotetrahydro-2H-pyran-3-yl)acetate
8-METHYL-2,3,4,5-TETRAHYDROPYRIDO[3,2-F][1,4]OXAZEPINE HYDROCHLORIDE
1H-Benzimidazole,1-methyl-2-(trifluoromethyl)-(9CI)
1-(TERT-BUTYL)-3-METHYL-1H-PYRAZOLE-5-CARBONYL CHLORIDE
1H-Benzimidazol-2-amine,N-4H-1,2,4-triazol-4-yl-(9CI)
Ethyl 2-oxo-2-(2-oxotetrahydro-2H-pyran-3-yl)acetate
3-(tert-butyl)-1-methyl-1H-pyrazole-5-carbonyl chloride
3-(2,4,6-TRIOXO-HEXAHYDRO-PYRIMIDIN-5-YL)-PROPIONIC ACID
ethyl 2-imino-3,4-dimethyl-1,3-thiazole-5-carboxylate
DIHYDRO-1-METHYL-3-PROPYL-2-THIOXO-4,6(1H,5H)-PYRIMIDINEDIONE
1H-Benzimidazole,5-methyl-2-(trifluoromethyl)-(9CI)
2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
2H-Pyrrolo[2,1-b][1,3]oxazine-6-carboxylicacid,3-aminohexahydro-4-oxo-(9CI)
8-Methoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
6-Methoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
(5-chloro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanone
(2,5-DIOXO-1-PROPYL-IMIDAZOLIDIN-4-YL)-ACETIC ACID
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
2-(4,4-Dimethyl-2,5-dioxo-imidazolidin-1-yl)-propionic acid
1,2,3-Thiadiazole-5-carboxylicacid,4-(1-methylethyl)-,ethylester(9CI)
2-Propynoic acid,3-(1-methyl-1H-benzimidazol-2-yl)-
1H-Benzimidazol-1-amine,N-nitroso-N-2-propynyl-(9CI)
7-Methoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
5-METHOXY-1-(2-METHOXYETHYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
2-[2-(3-methylpyrazol-1-yl)ethylsulfanyl]acetic acid
[(3R)-1-methylpiperidin-3-yl]methanamine,dihydrochloride
4-METHYL-5,6,7,8-TETRAHYDRO-2LAMBDA6,1,3-BENZOTHIADIAZINE-2,2(1H)-DIONE
2H-Isoindole-2-propanenitrile,1,3-dihydro-1,3-dioxo-
N,N-Dimethyl(pyrrolidin-3-yl)Methanamine hydrochloride
6-chloro-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4-diamine
1,3-Dioxolane,2-[(3,4-difluorophenyl)methyl]-(9CI)
1,2-Cyclopentanedicarboxylic acid, 4-oxo-, 1,2-dimethyl ester, (1R,2R)-
6-METHOXY-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBONITRILE
1-(TERT-BUTYL)-5-METHYL-1H-PYRAZOLE-3-CARBONYL CHLORIDE
5-(ethoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
7-Methoxy-4-oxo-1,4-dihydroquinoline-6-carbonitrile
2-(3-Methoxyallylidene)malonic acid dimethyl ester, 95\\%
[2-(5-methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid
5-(4-METHOXY-PHENYL)-3H-[1,2,3]TRIAZOLE-4-CARBONITRILE
Thiazolo[5,4-c]pyridine-2(1H)-thione, 5-ethyl-4,5,6,7-tetrahydro- (9CI)
4-Deoxy-2,3-dihydromycosinol
4-deoxy-2,3-dihydromycosinol is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. 4-deoxy-2,3-dihydromycosinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-deoxy-2,3-dihydromycosinol can be found in roman camomile, which makes 4-deoxy-2,3-dihydromycosinol a potential biomarker for the consumption of this food product.
4,6-dimethyl-2-(methylthio)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-5-one
Tonghaosu, (Z)-
(8Z)-8-Hexa-2,4-diynylidene-4,9-dioxaspiro[4.4]non-6-ene is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals (8Z)-8-Hexa-2,4-diynylidene-4,9-dioxaspiro[4.4]non-6-ene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa).
(2s,3s)-3-(4-Fluorophenyl)-2,3-Dihydroxypropanoic Acid
(2R,3S,4R,5S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol
2-(5-Methyl-1H-benzimidazol-2(3H)-ylidene)-2-nitrosoacetonitrile
(3-Phenoxyphenyl)methanol
A member of the class of benzyl alcohols that is benzyl alcohol bearing a phenoxy substituent at C-3. It is a metbaolite of the insecticide permethrin.
3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002969 - Clavulanic Acids D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
dihydroclavaminic acid zwitterion
Zwitterionic form of dihydroclavaminic acid.
4-methyl-1,7-diazatricyclo[7.3.0.0³,⁷]dodeca-3,5,9,11-tetraene-2,8-dione
(3s,7r,8as)-1,7-dihydroxy-3-(hydroxymethyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
4-hydroxy-6,6a-bis(hydroxymethyl)-3h,3ah,4h-cyclopenta[b]furan-2-one
methyl 2-[(1s,6s)-1,6-dihydroxy-4-oxocyclohex-2-en-1-yl]acetate
2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,8,10-hexaene-11,12-diol
methyl 2-(2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl)acetate
4-methoxy-3-(3-methylbut-3-en-1-yn-1-yl)benzaldehyde
(6s)-6-[(1e)-2-phenylethenyl]-5,6-dihydropyran-2-one
2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4,4]-non-3-ene
{"Ingredient_id": "HBIN005672","Ingredient_name": "2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4,4]-non-3-ene","Alias": "NA","Ingredient_formula": "C13H12O2","Ingredient_Smile": "CC#CC#CC=C1C=CC2(O1)CCCO2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9495","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-(1-butenyl)-1h-2-benzopyran-1-one,9ci; (e)-form
{"Ingredient_id": "HBIN006974","Ingredient_name": "3-(1-butenyl)-1h-2-benzopyran-1-one,9ci; (e)-form","Alias": "NA","Ingredient_formula": "C13H12O2","Ingredient_Smile": "NA","Ingredient_weight": "200.23","OB_score": "NA","CAS_id": "29428-84-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8509","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy viteoid ii
{"Ingredient_id": "HBIN013293","Ingredient_name": "7-hydroxy viteoid ii","Alias": "NA","Ingredient_formula": "C9H12O5","Ingredient_Smile": "C1COC(=O)C2=C(C(C(C21)O)O)CO","Ingredient_weight": "200.19 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10824","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11095628","DrugBank_id": "NA"}
Ali diol
{"Ingredient_id": "HBIN015128","Ingredient_name": "Ali diol","Alias": "NA","Ingredient_formula": "C8H12N2O4","Ingredient_Smile": "C=NC1=NC2C(C(C(C2O1)CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39580","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}