Exact Mass: 214.0445
Exact Mass Matches: 214.0445
Found 500 metabolites which its exact mass value is equals to given mass value 214.0445,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2,4-Dihydroxybenzophenone
CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4541; ORIGINAL_PRECURSOR_SCAN_NO 4540 CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4551; ORIGINAL_PRECURSOR_SCAN_NO 4547 CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4529; ORIGINAL_PRECURSOR_SCAN_NO 4528 CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4560; ORIGINAL_PRECURSOR_SCAN_NO 4559 CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4583; ORIGINAL_PRECURSOR_SCAN_NO 4581 CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4585; ORIGINAL_PRECURSOR_SCAN_NO 4582 ORIGINAL_PRECURSOR_SCAN_NO 4528; CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4529 CONFIDENCE standard compound; INTERNAL_ID 8332
Deoxyribose 5-phosphate
Deoxyribose 5-phosphate is a a metabolite in the pentose phosphate pathway. It can be generated from D-glyceraldehdye-3 phosphate via the enzyme 2-Deoxyribose 5-phosphate aldolase (DERA). Alternately Deoxyribose 5-phosphate can be converted to D-glyceraldehyde-3 phosphate that can then feed into the pentose phosphate pathway. Deoxyribose 5-phosphate can also be generated from 2-Deoxy-D-ribose via the enzyme Ribokinase (EC 2.7.1.15). It has been shown in a number of organisms that deoxynucleosides or deoxyriboses cause the induction of aldolases (such as DERA) involved in their catabolism, leading to the utilisation of the pentose moiety as carbon and energy source. [HMDB] Deoxyribose 5-phosphate is a a metabolite in the pentose phosphate pathway. It can be generated from D-glyceraldehdye-3 phosphate via the enzyme 2-Deoxyribose 5-phosphate aldolase (DERA). Alternately Deoxyribose 5-phosphate can be converted to D-glyceraldehyde-3 phosphate that can then feed into the pentose phosphate pathway. Deoxyribose 5-phosphate can also be generated from 2-Deoxy-D-ribose via the enzyme Ribokinase (EC 2.7.1.15). It has been shown in a number of organisms that deoxynucleosides or deoxyriboses cause the induction of aldolases (such as DERA) involved in their catabolism, leading to the utilisation of the pentose moiety as carbon and energy source. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID D026
Clofibric acid
CONFIDENCE standard compound; INTERNAL_ID 1076; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4292; ORIGINAL_PRECURSOR_SCAN_NO 4288 CONFIDENCE standard compound; INTERNAL_ID 1076; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4647; ORIGINAL_PRECURSOR_SCAN_NO 4645 CONFIDENCE standard compound; INTERNAL_ID 1076; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4316; ORIGINAL_PRECURSOR_SCAN_NO 4313 CONFIDENCE standard compound; INTERNAL_ID 1076; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4638; ORIGINAL_PRECURSOR_SCAN_NO 4636 CONFIDENCE standard compound; INTERNAL_ID 1076; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4622; ORIGINAL_PRECURSOR_SCAN_NO 4620 CONFIDENCE standard compound; INTERNAL_ID 1076; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4715; ORIGINAL_PRECURSOR_SCAN_NO 4712 D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8547 D009676 - Noxae > D000963 - Antimetabolites
mecoprop-p
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 308
Monolinuron
CONFIDENCE standard compound; INTERNAL_ID 955; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8335; ORIGINAL_PRECURSOR_SCAN_NO 8330 CONFIDENCE standard compound; INTERNAL_ID 955; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8309; ORIGINAL_PRECURSOR_SCAN_NO 8304
Deoxyribose 1-phosphate
Deoxyribose 1-phosphate is an intermediate in the metabolism of Pyrimidine. It is a substrate for Purine nucleoside phosphorylase and Thymidine phosphorylase. [HMDB] Deoxyribose 1-phosphate is an intermediate in the metabolism of Pyrimidine. It is a substrate for Purine nucleoside phosphorylase and Thymidine phosphorylase. COVID info from COVID-19 Disease Map KEIO_ID D013 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Amifostine
Amifostine is only found in individuals that have used or taken this drug. It is a phosphorothioate proposed as a radiation-protective agent. It causes splenic vasodilation and may block autonomic ganglia. [PubChem]The thiol metabolite is responsible for most of the cytoprotective and radioprotective properties of amifostine. It is readily taken up by cells where it binds to and detoxifies reactive metabolites of platinum and alkylating agents as well as scavenges free radicals. Other possible effects include inhibition of apoptosis, alteration of gene expression and modification of enzyme activity. V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AF - Detoxifying agents for antineoplastic treatment C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent D020011 - Protective Agents > D011837 - Radiation-Protective Agents KEIO_ID A170 Amifostine (WR2721) is a broad-spectrum cytoprotective agent and a radioprotector. Amifostine selectively protects normal tissues from damage caused by radiation and chemotherapy. Amifostine is potent hypoxia-inducible factor-α1 (HIF-α1) and p53 inducer. Amifostine protects cells from damage by scavenging oxygen-derived free radicals. Amifostine reduces renal toxicity and has antiangiogenic action[1][2][3][4].
1-Deoxy-D-xylulose 5-phosphate
1-Deoxy-D-xylulose 5-phosphate is a substrate for 2,4-dienoyl-CoA reductase (mitochondrial). [HMDB]. 1-Deoxy-D-xylulose 5-phosphate is found in many foods, some of which are jackfruit, dandelion, italian sweet red pepper, and summer grape. 1-Deoxy-D-xylulose 5-phosphate is a substrate for 2,4-dienoyl-CoA reductase (mitochondrial). It has been found to be a metabolite of Escherichia and Streptomyces (PMID: 10648511; PMID: 9371765).
Phenyl salicylate
Phenyl salicylate, also known as salol or musol, belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). Phenyl salicylate is a mild, sweet, and balsam tasting compound. Phenyl salicylate is a potentially toxic compound. Phenyl salicylate is used as a food additive ("EAFUS: Everything Added to Food in the United States. "). It is hydrolyzed to salicylic acid . It is used for the treatment of inflammation in the lower urinary tract. CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4583; ORIGINAL_PRECURSOR_SCAN_NO 4581 CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4551; ORIGINAL_PRECURSOR_SCAN_NO 4547 CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4560; ORIGINAL_PRECURSOR_SCAN_NO 4559 CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4585; ORIGINAL_PRECURSOR_SCAN_NO 4582 CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4541; ORIGINAL_PRECURSOR_SCAN_NO 4540 CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4529; ORIGINAL_PRECURSOR_SCAN_NO 4528 D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals ATC code: G04BX12
5-Deoxyribose-1-phosphate
This compound belongs to the family of Pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms
Niridazole
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02B - Antitrematodals D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
4,4-DIMETHYLANGELICIN
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
4,5-Dimethylangelicin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Mecoprop
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8420 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
[(3R,4R)-3,4-dihydroxy-2-oxopentyl] dihydrogen phosphate
3-Phenoxybenzoic acid
3-phenoxybenzoic acid belongs to the family of Benzoic Acid and Derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring. 3-Phenoxybenzoic acid is an endogenous metabolite.
Sulfacetamide
Sulfacetamide is only found in individuals that have used or taken this drug. It is an anti-infective agent that is used topically to treat skin infections and orally for urinary tract infections. [PubChem]Sulfacetamide is a competitive inhibitor of bacterial para-aminobenzoic acid (PABA), an essential component for bacterial growth (according to the Woods-Fildes theory). The inhibited reaction is necessary in these organisms for the synthesis of folic acid. D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AF - Antiinfectives for treatment of acne S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AB - Sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
4'-Hydroxy-2-biphenylcarboxylic acid
4-Hydroxy-2-biphenylcarboxylic acid is found in green vegetables. 4-Hydroxy-2-biphenylcarboxylic acid is a constituent of Trifolium repens (white clover)
1-Methyl-3-(2-thiazolyl)-1H-indole
1-Methyl-3-(2-thiazolyl)-1H-indole is found in fruits. 1-Methyl-3-(2-thiazolyl)-1H-indole is from Capsella bursa-pastoris (shepherds purse) infected with Alternaria brassica From Capsella bursa-pastoris (shepherds purse) infected with Alternaria brassicae. 1-Methyl-3-(2-thiazolyl)-1H-indole is found in herbs and spices and fruits.
Ethyl 3-[(2-furanylmethyl)thio]propanoate
Ethyl 3-[(2-furanylmethyl)thio]propanoate is a flavouring ingredient with roasted, nutty-coffee taste at 10ppm. Flavouring ingredient with roasted, nutty-coffee taste at 10ppm
Deoxyribose 5-monophosphate
Deoxyribose 5-monophosphate is a substrate for: Deoxyribonucleoside 5-monophosphate N-glycosidase.
fluorobenzoylpropionic acid
fluorobenzoylpropionic acid is a metabolite of haloperidol. Haloperidol is a typical antipsychotic. It is in the butyrophenone class of antipsychotic medications and has pharmacological effects similar to the phenothiazines. Haloperidol is an older antipsychotic used in the treatment of schizophrenia and acute psychotic states and delirium. (Wikipedia)
4-Allylphenol sulfate
4-Allylphenol sulfate, also known as chavicol hydrogen sulfate or p-allylphenyl sulfate, belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 4-Allylphenol sulfate has been identified in blood (PMID: 26561314).
4-(4-Nitrobenzyl)pyridine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents
4-Acetamidobenzenesulfonamide
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Etanidazole
C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents
Sulfaguanidine
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07A - Intestinal antiinfectives > A07AB - Sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
1,10-dihydro-1,10-dihydroxyfluoren-9-one
1,10-dihydro-1,10-dihydroxyfluoren-9-one, also known as ddf or 1,10-dhfo, is a member of the class of compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. 1,10-dihydro-1,10-dihydroxyfluoren-9-one is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1,10-dihydro-1,10-dihydroxyfluoren-9-one can be found in a number of food items such as lichee, allium (onion), garden onion, and carrot, which makes 1,10-dihydro-1,10-dihydroxyfluoren-9-one a potential biomarker for the consumption of these food products.
4-(4-Nitrobenzyl)pyridine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents
sulfaguanidine
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07A - Intestinal antiinfectives > A07AB - Sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 1012
Diazald
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3459
7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
1-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-propanone
Alloxazine
Alloxazine is a selective A2b antagonist. Alloxazine completely block 5’N-Ethylcarboxamido adenosine (NECA)-mediated cyclic AMP accumulation with an IC50 of 2.9 μM. Alloxazine can be used for the research of cancer[1][2].
(10Z)-10-bromomyrcene|(3Z)-3-bromomethylene-7-methyl-1,6-octadiene|3-(Z)-bromomethylene-7-methyl-octa-1,6-diene
trans-Tridecen-(2)-tetrain-(4,6,8,10)-triol-(1,12,13)|tridec-11t-ene-3,5,7,9-tetrayne-1,2,13-triol|Tridecatetrain-(4,6,8,10)-en-(2)-triol-(1,12,13)
methyl 3,5-dimethoxy-4-hydroxybenzoate|methyl syringate|RMS15
2--5-<5-hydroxy-penten-(3)-in-<1>-yl>-thiophen|5-(5-but-3-en-1-ynyl-thiophen-2-yl)-pent-2-en-4-yn-1-ol
2-(pent-1,3-diynyl)-5-(4-hydroxybut-1-ynyl)thiophene|2--5-<4-hydroxybut-1-ynyl>-thiophene|2--5-<4-hydroxy-butin-(1)-yl>-thiophen|4-(5-penta-1,3-diynyl-thiophen-2-yl)-but-3-yn-1-ol|4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol
2-prop-1-inyl-5-(5,6-epoxyhex-3c-en-1-inyl)-thiophene
etanidazole
C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents
3-Phenoxybenzoic acid
A phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides. CONFIDENCE standard compound; INTERNAL_ID 965; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4541; ORIGINAL_PRECURSOR_SCAN_NO 4540 CONFIDENCE standard compound; INTERNAL_ID 965; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4560; ORIGINAL_PRECURSOR_SCAN_NO 4559 CONFIDENCE standard compound; INTERNAL_ID 965; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4529; ORIGINAL_PRECURSOR_SCAN_NO 4528 CONFIDENCE standard compound; INTERNAL_ID 965; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4551; ORIGINAL_PRECURSOR_SCAN_NO 4547 CONFIDENCE standard compound; INTERNAL_ID 965; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4585; ORIGINAL_PRECURSOR_SCAN_NO 4582 CONFIDENCE standard compound; INTERNAL_ID 965; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4583; ORIGINAL_PRECURSOR_SCAN_NO 4581 CONFIDENCE standard compound; EAWAG_UCHEM_ID 326 CONFIDENCE standard compound; INTERNAL_ID 2005 3-Phenoxybenzoic acid is an endogenous metabolite.
clofibric acid
A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D009676 - Noxae > D000963 - Antimetabolites CONFIDENCE standard compound; EAWAG_UCHEM_ID 204
MONOLINURON
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3173
4-Nitrodiphenylamine
CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4895; ORIGINAL_PRECURSOR_SCAN_NO 4894 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4880; ORIGINAL_PRECURSOR_SCAN_NO 4876 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4916; ORIGINAL_PRECURSOR_SCAN_NO 4913 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4917; ORIGINAL_PRECURSOR_SCAN_NO 4916 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5005; ORIGINAL_PRECURSOR_SCAN_NO 5000 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4918; ORIGINAL_PRECURSOR_SCAN_NO 4915
sulfacetamide
D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AF - Antiinfectives for treatment of acne S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AB - Sulfonamides A sulfonamide that is sulfanilamide acylated on the sulfonamide nitrogen. C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 776; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4293; ORIGINAL_PRECURSOR_SCAN_NO 4291 CONFIDENCE standard compound; INTERNAL_ID 776; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4292; ORIGINAL_PRECURSOR_SCAN_NO 4288 CONFIDENCE standard compound; INTERNAL_ID 776; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4296; ORIGINAL_PRECURSOR_SCAN_NO 4293 CONFIDENCE standard compound; INTERNAL_ID 776; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4287; ORIGINAL_PRECURSOR_SCAN_NO 4284 CONFIDENCE standard compound; INTERNAL_ID 776; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4300; ORIGINAL_PRECURSOR_SCAN_NO 4299 CONFIDENCE standard compound; INTERNAL_ID 776; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4316; ORIGINAL_PRECURSOR_SCAN_NO 4313 CONFIDENCE standard compound; INTERNAL_ID 776; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3048; ORIGINAL_PRECURSOR_SCAN_NO 3043 CONFIDENCE standard compound; INTERNAL_ID 776; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3060; ORIGINAL_PRECURSOR_SCAN_NO 3056 CONFIDENCE standard compound; INTERNAL_ID 776; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3046; ORIGINAL_PRECURSOR_SCAN_NO 3043 CONFIDENCE standard compound; INTERNAL_ID 776; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3060; ORIGINAL_PRECURSOR_SCAN_NO 3059 CONFIDENCE standard compound; INTERNAL_ID 776; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3069; ORIGINAL_PRECURSOR_SCAN_NO 3067 CONFIDENCE standard compound; INTERNAL_ID 776; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3057; ORIGINAL_PRECURSOR_SCAN_NO 3055
4-Sulfamylacetanilide
CONFIDENCE standard compound; INTERNAL_ID 866; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2064; ORIGINAL_PRECURSOR_SCAN_NO 2062 D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 866; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2022; ORIGINAL_PRECURSOR_SCAN_NO 2020 CONFIDENCE standard compound; INTERNAL_ID 866; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2013; ORIGINAL_PRECURSOR_SCAN_NO 2011 CONFIDENCE standard compound; INTERNAL_ID 866; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2055; ORIGINAL_PRECURSOR_SCAN_NO 2051 CONFIDENCE standard compound; INTERNAL_ID 866; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2015; ORIGINAL_PRECURSOR_SCAN_NO 2013 CONFIDENCE standard compound; INTERNAL_ID 866; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2065; ORIGINAL_PRECURSOR_SCAN_NO 2062 CONFIDENCE standard compound; INTERNAL_ID 866; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4309; ORIGINAL_PRECURSOR_SCAN_NO 4305 CONFIDENCE standard compound; INTERNAL_ID 866; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4325; ORIGINAL_PRECURSOR_SCAN_NO 4321 CONFIDENCE standard compound; INTERNAL_ID 866; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4331; ORIGINAL_PRECURSOR_SCAN_NO 4328 CONFIDENCE standard compound; INTERNAL_ID 866; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4341; ORIGINAL_PRECURSOR_SCAN_NO 4338 CONFIDENCE standard compound; INTERNAL_ID 866; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4355; ORIGINAL_PRECURSOR_SCAN_NO 4352 CONFIDENCE standard compound; INTERNAL_ID 866; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4341; ORIGINAL_PRECURSOR_SCAN_NO 4339
Phenylparaben
CONFIDENCE standard compound; INTERNAL_ID 871; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4549; ORIGINAL_PRECURSOR_SCAN_NO 4546 CONFIDENCE standard compound; INTERNAL_ID 871; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4548; ORIGINAL_PRECURSOR_SCAN_NO 4546 CONFIDENCE standard compound; INTERNAL_ID 871; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4573; ORIGINAL_PRECURSOR_SCAN_NO 4572 CONFIDENCE standard compound; INTERNAL_ID 871; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4569; ORIGINAL_PRECURSOR_SCAN_NO 4566 CONFIDENCE standard compound; INTERNAL_ID 871; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4585; ORIGINAL_PRECURSOR_SCAN_NO 4582 CONFIDENCE standard compound; INTERNAL_ID 871; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4583; ORIGINAL_PRECURSOR_SCAN_NO 4581
2-(1h-1,2,4-triazol-5-yl)-1h-isoindole-1,3(2h)-dione
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine oxalate
4H-Benzo[4,5]cyclohepta[1,2-b]thiophen-4-one,9,10-dihydro-
Propanedinitrile,2-[(3,4-dimethoxyphenyl)methylene]-
2-(6-Methyl-4-oxo-1,4-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid
2,6-DIFLUORO-BETA-OXO-BENZENEPROPANOIC ACID METHYL ESTER
2-(7-FLUORO-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE
Pyrimidine, 4-ethyl-5-methyl-2,6-bis(methylthio)- (9CI)
2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)propanoic acid
5,6-DIHYDROXY-3-(METHOXYCARBONYL)PYRAZINE-2-CARBOXYLIC ACID
4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline
3-(Aminomethyl)-5-fluoroindolin-2-one hydrochloride
6-FLUORO-3-(PYRIDIN-4-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE
2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXIMIDAMIDE HYDROCHLORIDE
(5-CHLORO-2-HYDROXYPHENYL)(1-PHENYL-1H-PYRAZOL-4-YL)METHANONE
3-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-PROPIONIC ACID
7-Aminodeacetoxycephalosporanic acid
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-ACETICACID
2-(4-Carbamimidoylphenyl)acetic acid hydrochloride
N-Hydroxy-4-Methanesulfonylbenzene-1-carboxiMidaMide
potassium,trifluoro-(4-hydroxy-3-methylphenyl)boranuide
2-Chloro-N-ethyl-4-(methylamino)pyrimidine-5-carboxamide
POTASSIUM TRIFLUORO(2-(HYDROXYMETHYL)PHENYL)BORATE
6-(Aminomethyl)-2H-1,4-benzoxazin-3(4H)-one hydrochloride (1:1)
5-nitro-2,3-dihydro-1H-inden-2-amine,hydrochloride
ethyl 2-(4-hydroxy-2-mercaptopyrimidin-5-yl)acetate
3-Cyano-4-oxo-1,4-dihydro-6-quinolinecarboxylic acid
1-Phenyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole
Ethanone, 2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-
Ethyl 2-(acetylamino)-1,3-thiazole-5-carboxylate, 2-Acetamido-5-(ethoxycarbonyl)-1,3-thiazole
Ethyl 4-hydroxy-2-methylthio-5-pyrimidinecarboxylate
6-(4-FLUOROPHENYL)-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
(2E)-N-(3,4-DICHLOROPHENYL)-2-(HYDROXYIMINO)ACETAMIDE
4-Fluoro-3-(4-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridine
6-(TRIFLUOROMETHYL)-2,3,4-TRIHYDRONAPHTHALEN-1-ONE
Bamnidazole
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
4,7-Dimethoxy-1H-pyrrolo[2,3-c]pyridine monohydrochloride
2-amino-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide
potassium,trifluoro-[3-(hydroxymethyl)phenyl]boranuide
1-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
6-METHYL-2-OXO-4-THIOXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
Magnesium acetate tetrahydrate
Acetic acid magnesium tetrahydrate is a hydrated form of anhydrous magnesium acetate salt. As a salt form of Magnesium, Magnesium acetate is one of the bioavailable forms of magnesium and forms a very water soluble compound. Acetic acid magnesium tetrahydrate can be used as an electrolyte supplementation or a reagent in molecular biology experiments[1].
Phosphorodithioic acid,O,O-bis(1-methylethyl) ester
N-(PIPERIDIN-4-YL)METHANESULFONAMIDE HYDROCHLORIDE
1-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-4-carbonitrile
9H-Fluoren-9-one, 1,9a-dihydro-1,9a-dihydroxy-, cis-(+)-
[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile
4-(2-Amino-1-hydroxyethyl)-5-nitrobenzene-1,2-diol
3-[(1E)-buta-1,3-dienyl]-5-hydroxyisochromen-1-one
amifostine
V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AF - Detoxifying agents for antineoplastic treatment C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent D020011 - Protective Agents > D011837 - Radiation-Protective Agents Amifostine (WR2721) is a broad-spectrum cytoprotective agent and a radioprotector. Amifostine selectively protects normal tissues from damage caused by radiation and chemotherapy. Amifostine is potent hypoxia-inducible factor-α1 (HIF-α1) and p53 inducer. Amifostine protects cells from damage by scavenging oxygen-derived free radicals. Amifostine reduces renal toxicity and has antiangiogenic action[1][2][3][4].
Niridazole
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02B - Antitrematodals D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
2-Deoxy-alpha-D-ribose 1-phosphate
The alpha-anomer of 2-deoxy-D-ribofuranose 1-phosphate.
2-Deoxy-D-ribofuranose 5-phosphate
The furanose form of 2-deoxy-D-ribose 5-phosphate.
Phenyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals ATC code: G04BX12
1-Deoxy-D-xylulose 5-phosphate
The 5-phospho derivative of 1-deoxy-D-xylulose.
2-deoxy-D-ribofuranose 1-phosphate
A 2-deoxyribose 1-phosphate with D-ribofuranose as the sugar. An intermediate in the metabolism of pyrimidine.
2-C-methyl-D-erythritol 4-phosphate(2-)
An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 2-C-methyl-D-erythritol 4-phosphate; major species at pH 7.3.
2-Deoxy-D-ribose 5-phosphate
The 5-O-phosphono derivative of 2-deoxy-D-ribose.
7beta-aminodeacetoxycephalosporanic acid
A cephem monocarboxylic acid derivative having a structure based on cephalosporanic acid, deacetoxylated and carrying a 7beta-amino group.
4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yn-1-ol
(1s,2z,5s,6s)-2-(octa-2,4,6-triyn-1-ylidene)-3,7-dioxabicyclo[4.1.0]heptan-5-ol
(1s,5s,6s)-2-(octa-2,4,6-triyn-1-ylidene)-3,7-dioxabicyclo[4.1.0]heptan-5-ol
1-bromo-2,2,3,3-tetramethyl-1-prop-1-ynylcyclopropane
{"Ingredient_id": "HBIN002422","Ingredient_name": "1-bromo-2,2,3,3-tetramethyl-1-prop-1-ynylcyclopropane","Alias": "Cyclopropane, 1-bromo-2,2,3,3-tetramethyl-1-prop-1-ynyl-; 1-Bromo-2,2,3,3-tetramethyl-1-(1-propynyl)cyclopropane; 1-bromo-2,2,3,3-tetramethyl-1-prop-1-ynyl-cyclopropane","Ingredient_formula": "C10H15Br","Ingredient_Smile": "CC#CC1(C(C1(C)C)(C)C)Br","Ingredient_weight": "215.13 g/mol","OB_score": "8.74081644","CAS_id": "NA","SymMap_id": "SMIT05945","TCMID_id": "NA","TCMSP_id": "MOL003946","TCM_ID_id": "NA","PubChem_id": "570815","DrugBank_id": "NA"}
5-hydroxy-3-methylnaphtho[2,3-c]furan-4(9h)-one,9ci
{"Ingredient_id": "HBIN011607","Ingredient_name": "5-hydroxy-3-methylnaphtho[2,3-c]furan-4(9h)-one,9ci","Alias": "NA","Ingredient_formula": "C13H10O3","Ingredient_Smile": "NA","Ingredient_weight": "214.22","OB_score": "NA","CAS_id": "159539-23-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7671","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxy-3-methylnaphtho[2,3-c]furan-4(9h)-one,9ci; Δ9,9a-isomer
{"Ingredient_id": "HBIN011609","Ingredient_name": "5-hydroxy-3-methylnaphtho[2,3-c]furan-4(9h)-one,9ci; \u03949,9a-isomer","Alias": "NA","Ingredient_formula": "C13H10O3","Ingredient_Smile": "NA","Ingredient_weight": "214.22","OB_score": "NA","CAS_id": "159539-25-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7669","PubChem_id": "NA","DrugBank_id": "NA"}
