Exact Mass: 214.0542

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

Clofibric acid

alpha-(4-Chlorophenoxy)-alpha-methylpropionic 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

(R)-2-(4-chloro-o-tolyloxy)propionic acid

D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 308

Monolinuron

3-(4-Chlorophenyl)-1-methoxy-1-methylurea

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

DIPHENYL CARBONATE

Amifostine

Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester), trihydrate

C5H15N2O3PS (214.0541)

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].

2-hydroxy-6-oxonona-2,4-dienedioic acid

(2E,4Z)-2-hydroxy-6-oxonona-2,4-dienedioic acid

3,4-Dihydroxy-3,4-dihydro-9-fluorenone

Mycosinol

(2E)-2-Hexa-2,4-diynylidene-1,6-dioxaspiro(4.4)nona-3,7-dien-9-ol

(S)-ACPA

(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid

Phenyl salicylate

Benzoic acid, 2-hydroxy-, phenyl ester

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

4,4-Dihydroxybenzophenone

2,2-Dihydroxybenzophenone

2,2-dihydroxy benzophenone

ACMC-20ddog

1-Hydro-1,1a-dihydroxy-9-fluorenone

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

4-Chloro-2-methylphenoxy-alpha-propionic acid

CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8420 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

(2s)-2-(4-Chloro-2-methylphenoxy)propanoic acid

L-tryptophan isonitrile

3-Phenoxybenzoic acid

Diphenyl ether 3-carboxylic 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, monosodium salt, anhydrous

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

Methyl bisnorbiotinyl ketone

[3AS-(3aa,4b,6aa)]-tetrahydro-4-(3-oxobutyl)-1H-thieno[3,4-D]imidazol-2(3H)-one

Methyl bisnorbiotinyl ketone is a natural biotin metabolite in human urine. (PMID 9039841). The urinary excretion of Methyl bisnorbiotinyl ketone a increased with biotin administration. (PMID 9022537). Methyl bisnorbiotinyl ketone is a natural biotin metabolite in human urine. (PMID 9039841)

4'-Hydroxy-2-biphenylcarboxylic acid

4-HYDROXY-[1,1-BIPHENYL]-2-CARBOXYLIC 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-(1,3-thiazol-2-yl)-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

Propanoic acid, 3-[(2-furanylmethyl)thio]-, ethyl ester

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

fluorobenzoylpropionic acid

4-(3,4-difluorophenyl)-4-oxobutanoic 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-(prop-2-en-1-yl)phenyl]oxidanesulfonic acid

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

4-(4-Nitrobenzyl)pyridine monoperchlorate

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents

4-Acetamidobenzenesulfonamide

Sulfacetamide, monosodium salt, anhydrous

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides

Alloxazine

1H,2H,3H,4H-benzo[g]pteridine-2,4-dione

Chlorophenoxyisobutyric acid

3-chloro-2-methyl-2-phenoxypropanoic acid

Etanidazole

N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)ethanimidic acid

C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents

2-Benzyl-3-nitropyridine

Sulfaguanidine

N-(4-Aminobenzenesulphonyl)guanidine

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

1,9a-dihydroxy-9,9a-dihydro-1H-fluoren-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.

3- Allylphenol sulfate

[3-(Prop-2-en-1-yl)phenyl]oxidanesulphonic acid

4-Formyl-1-methoxycarbonylazulene

3-Hydroxycorfin

(-)-3-Hydroxycorfin

4-Phenoxybenzoic acid

dmst

N,N-Dimethyl-N-p-tolylsulphamide

CONFIDENCE standard compound; EAWAG_UCHEM_ID 340 EAWAG_UCHEM_ID 340; CONFIDENCE standard compound

2-methyl-4-phenylpyrimidine-5-carboxylic acid

4-(4-Nitrobenzyl)pyridine

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents

sulfaguanidine

MLS000862052

Diazald

N-Methyl-N-nitrosotoluene-4-sulphonamide (NTOLS)

CONFIDENCE standard compound; EAWAG_UCHEM_ID 3459

Alloxazine

Alloxazine;Isoalloxazine

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

C12H10N2O2

1H-Pyrido[3,4-b]indole-1,3 4(2H,9H)-trione

SCHEMBL8395054

2,3,5,6-tetrahydroxybenzyl acetate

callysponine

ZINC5438950

7-Bromomyrcene

Euxanthen

1-Methoxycarbonyl-4-formylazulene

Caerulomycin E

6-(4-Hydroxy-trans-styryl)-2-pyron

(+)-Carolinsaeure|(+)-carolynoic acid

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)

5-(2-phenylethynyl)-2-thiophenemethanol

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-(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

Gostatin

DTXSID80788016

5-Ethyl-4H-furo[2,3-b][1]benzopyran-4-one

SCHEMBL16433210

L-(+)-S-(2-pyridyl)-cysteine sulfoxide

anhydrobarakol

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

Pesticide3_Monolinuron_C9H11ClN2O2_Urea, N-(4-chlorophenyl)-N-methoxy-N-methyl-

CONFIDENCE standard compound; EAWAG_UCHEM_ID 3173

benzophenone-1

CONFIDENCE Reference Standard (Level 1)

4-Nitrodiphenylamine

4-Nitro-N-phenylaniline

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

4-Acetamidobenzenesulfonamide

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

4-Acetamidobenzenesulfonamide

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

Baclofen b-(Chlorophenyl)-g-hydroxybutyric acidp-

Methyl bisnorbiotinyl ketone

7-Aminodesacetoxycephalosporanic acid

2-(4-hydroxyphenyl)benzoic acid

4-HYDROXY-[1,1-BIPHENYL]-2-CARBOXYLIC ACID

1-Methylcamalexin

1-methyl-3-(1,3-thiazol-2-yl)-1H-indole

FEMA 3674

Propanoic acid, 3-[(2-furanylmethyl)thio]-, ethyl ester

2-(1h-1,2,4-triazol-5-yl)-1h-isoindole-1,3(2h)-dione

tert-butyl N-methyl-N-(1,3-thiazol-2-yl)carbamate

N-methyl-4-sulfamoylbenzamide

4AMINO3NITROBIPHENYL

6-Trifluoromethyl-4-azaindole-3-carbaldehyde

6-(Trifluoromethyl)-5-azaindole-3-carboxaldehyde

5-(Trifluoromethyl)-4-azaindole-3-carboxaldehyde

ethyl 3,4-difluorobenzoylformate

CYCLOPROPYL 3-TRIFLUOROMETHYLPHENYL KETONE

CYCLOPROPYL 4-TRIFLUOROMETHYLPHENYL KETONE

Diethyl Phenylphosphonate

C10H15O3P (214.0759)

2-phenoxybenzoic acid

3-Methyl-4-(methylsulfonyl)benzoic Acid

(2,4,6-trimethoxyphenyl)methanethiol

1-Bromoadamantane

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine oxalate

1-(1-(2-CHLOROPHENYL)VINYL)BENZENE

6-(2-AMINO-PHENYL)-PYRIDINE-2-CARBOXYLIC ACID

methyl 3,3-dimethylbutanoate

C9H11O4P (214.0395)

4H-Benzo[4,5]cyclohepta[1,2-b]thiophen-4-one,9,10-dihydro-

(5-CHLORO-2,3-DIMETHOXY)ACETOPHENONE

(4-FLUORO-2-METHYL-PHENYL)-ACETIC ACID

AKOS B013829

2,3-Butanediol,2-(3-chlorophenyl)-3-methyl-

Propanedinitrile,2-[(3,4-dimethoxyphenyl)methylene]-

2-(6-Methyl-4-oxo-1,4-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid

Benzene,1-chloro-4-(diethoxymethyl)-

2-(benzenesulfonyl)-N-hydroxyethanimidamide

Benzeneacetic acid, 2-(methylsulfonyl)-

methyl 2-amino-5-fluoro-3-nitrobenzoate

C8H7FN2O4 (214.039)

2-Chloro-4-isoproproxyphenylboronic acid

2-PhenoxyMethylpyrimidine-4-carbaldehyde

alpha-pyridoin

6-PHENYL-2-PYRAZINECARBOXYLIC ACID METHYL ESTER

Methyl 3-((3-chloropyridin-2-yl)amino)propanoate

2,6-DIFLUORO-BETA-OXO-BENZENEPROPANOIC ACID METHYL ESTER

pyrimido[4,5-g]quinazoline-4,9(3H,8H)-dione

2-(7-FLUORO-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE

2-[2-(aminomethyl)-4-chlorophenoxy]acetamide

Pyrimidine, 4-ethyl-5-methyl-2,6-bis(methylthio)- (9CI)

C9H14N2S2 (214.0598)

2-(4-Chloro-3-methylphenoxy)propanoic acid

2-Amino-5-methyl-4-phenylthiophene-3-carbonitrile

9H-XANTHEN-9-ONE, 2-FLUORO-

C13H7FO2 (214.043)

(AA-UTP)SODIUMSALT

methyl 2-phenylpyrimidine-5-carboxylate

METHYL 2-(METHYLSULFONYL)BENZENECARBOXYLATE

6-Fluorotryptamine hydrochloride

5-Cyano-2-methylindole-3-acetic acid

1,1-DIMETHYLFERROCENE

C12H14Fe (214.0445)

Benzenesulfonamide,3-amino-N,N,4-trimethyl-

2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)propanoic acid

2-(3-METHOXYPHENYL)PYRIMIDINE-5-CARBOXALDEHYE

3-HYDROXY-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

5-[3-(trifluoromethyl)phenyl]-1H-tetrazole

C8H5F3N4 (214.0466)

ETHYL FLUORO(PHENYLTHIO)ACETATE

C10H11FO2S (214.0464)

3-(ETHOXYCARBONYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID

4-(3 5-DIFLUOROPHENYL)-4-OXOBUTYRIC ACID

3,5-Dimethylthio-2,6-diaminotoluene

C9H14N2S2 (214.0598)

2-(PHENYLAMINO)NICOTINIC ACID

1-CHLORO-3-(1-PHENYL-VINYL)-BENZENE

Sudan Orange G

1-(2-chloroethoxy)-2-propan-2-yloxybenzene

2,5-dimethylphenylsulfonylethanol

3,4-dimethylphenylsulfonylethanol

3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoate

2,2-dihydroxyazobenzene

2-Chloro-6-phenylnicotinonitrile

C12H7ClN2 (214.0298)

o-hydroxyphenyl benzoate

2-MORPHOLINO-1,3-THIAZOLE-5-CARBOXYLIC ACID

4-(6-methylpyrazin-2-yl)oxybenzaldehyde

p-Toluenesulfonylacetic acid

PROPANOIC ACID, 2-(2-CHLOROPHENOXY)-2-METHYL-

2-(3-CHLOROPHENOXY)PROPANOHYDRAZIDE

2-HYDROXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

8-ethoxy-4-oxo-1H-quinoline-3-carbonitrile

N-(TERT-BUTYL)PYRIDINE-3-SULFONAMIDE

2-HYDROXY-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline

N-(4-Fluoro-2-hydroxy-5-nitrophenyl)acetamide

C8H7FN2O4 (214.039)

Methyl 3-chloro-4-ethoxybenzoate

Urea,1-(p-chlorophenyl)-1-ethyl-2-thio- (6CI,8CI)

(Benzylsulfonyl)acetic acid

ETHYL 3,5-DIFLUOROBENZOYLFORMATE

N,N-DIMETHYLBENZYLSULFAMIDE

4-AMINO-N-METHYLBENZENEETHANESULFONAMIDE

Dimethylthio-toluenediamine

C9H14N2S2 (214.0598)

Ethyl 5-cyanoindole-2-carboxylate

5-(5-methylthiophen-2-yl)-1H-indazole

2-Nitrodiphenylamine

(R)-4-CHLORO-1,3-BUTANEDIOL

3,5-dimethoxy-4-methyl-benzoyl chloride

5-Chloro-1,10-phenanthroline

C12H7ClN2 (214.0298)

1,2-DIHYDRONAPHTHO[2,1-B]FURAN-2-CARBOXYLIC ACID

(4-Methylphenyl)sulfonyl acetate

1-methylbenzo[e][1,3]benzothiazol-2-imine

2H-Isoindole-2-butanenitrile,1,3-dihydro-1,3-dioxo-

4-chloro-6-morpholin-4-ylpyrimidin-2-amine

3-(7-Cyano-1H-indol-3-yl)propanoic acid

3-(Aminomethyl)-5-fluoroindolin-2-one hydrochloride

C9H8ClFN2O (214.0309)

6-FLUORO-3-(PYRIDIN-4-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE

C11H7FN4 (214.0655)

8-(2-FLUOROPHENYL)-9H-PURINE

C11H7FN4 (214.0655)

2-(2-Chloro-6-methylphenoxy)propanoic acid

4-(2,5-Difluorophenyl)-4-oxobutanoic acid

3-(2-Chloro-3-methoxyphenyl)propionic acid

2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXIMIDAMIDE HYDROCHLORIDE

4-(1-methyl-6-oxopyridazin-3-yl)benzaldehyde

2-chloro-4-methoxyphenylacetic acid methyl ester

N-(2-Hydroxyphenyl)-2-pyridinecarboxamide

2-Methyl-4-chlorophenoxyacetic acid hydrazide

resorcinol monobenzoate

3-Hydroxyphenyl benzoate

Ethylferrocene

C12H14Fe (214.0445)

2-(3-Borono-5-fluorophenoxy)acetic acid

C8H8BFO5 (214.0449)

3-PHENYLSALICYLIC ACID

Propyl 4-methylbenzenesulfonate

1-[4-(TRIFLUOROMETHYL)PHENYL]BUT-1-EN-3-ONE

Ethyl 2-(4-chlorophenoxy)acetate

2H-Tetrazole,5-[4-(trifluoromethyl)phenyl]-

C8H5F3N4 (214.0466)

[4-(Ethylsulfonyl)phenyl]boronic acid

C8H11BO4S (214.0471)

(5-CHLORO-2-HYDROXYPHENYL)(1-PHENYL-1H-PYRAZOL-4-YL)METHANONE

5-Fluorotryptamine hydrochloride

Methyl 2-amino-4-(tert-butyl)thiazole-5-carboxylate

3-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-PROPIONIC ACID

Phenol,4,4-(1,2-diazenediyl)bis-

PYRIDIN-3-YL-CARBAMIC ACID PHENYL ESTER

7-Aminodeacetoxycephalosporanic acid

7-Aminodesacetoxycephalosporanic 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

4-(4-methoxypyrimidin-2-yl)benzaldehyde

2-nitro-6-phenylaniline

3-nitro-N-phenylaniline

Methyl 3-(2,4-difluorophenyl)-3-oxopropanoate

Methyl phenylsulfonylacetate

4-hydroxyphenyl benzoate

4-ISOPROPYL-2-METHYLBENZENE-1-SULFONIC ACID

3-CHLORO-4-ISOPROPOXYBENZOIC ACID

2-methyl-5-propan-2-ylbenzenesulfonic acid

7-ADCA

2-phenoxypyridine-3-carboxamide

1-[3-(trifluoromethyl)phenyl]but-1-en-3-one

(5-Chloro-2-propoxyphenyl)boronic acid

(5-CHLORO-2-ISOPROPOXYPHENYL)BORONIC ACID

3-Chloro-4-Isopropoxyphenylboronic Acid

calcium diisobutyrate

C8H14CaO4 (214.0518)

methyl 4-(methylsulfonyl)benzoate

2-(4-chlorophenoxy)butyric acid

4-CHLORO-6-MORPHOLIN-4-YL-PYRIMIDIN-5-YLAMINE

6-(Trifluoromethyl)-1H-indazole-3-carbaldehyde

4-Amino-N-isopropylbenzenesulfonamide

(4-CHLORO-2-FLUORO-PHENYL)-CARBAMICACIDETHYLESTER

(4-ETHOXYCARBONYLTHIAZOL-2-YL)GUANIDINE

2-(4-Carbamimidoylphenyl)acetic acid hydrochloride

5-pyridyl-3-trifluoromethyl-1,2,4-triazole

C8H5F3N4 (214.0466)

N-Hydroxy-4-Methanesulfonylbenzene-1-carboxiMidaMide

5-Trifluoromethyl-1-tetralone

Tetrazolo[1,5-a]quinoline-5-carboxylic acid

N1-ISOPROPYL-4-CHLORO-2-NITROANILINE

4-methyl-7-prop-2-ynoxychromen-2-one

Calcium dibutanoate

C8H14CaO4 (214.0518)

3-chloroadamantanecarboxylic acid

Methyl (4-chloro-2-methylphenoxy)acetate

N-Isopropyl 3-aminobenzenesulfonamide

4-Methylsulfonyl phenyl acetic acid

2-Chloro-N-ethyl-4-(methylamino)pyrimidine-5-carboxamide

6-(trifluoromethyl)quinoxalin-2-ol

7-Trifluoromethylquinoxalin-2-one

diazald(r)-n-methyl-13c

2-Propen-1-one,3-phenyl-1-(2-thienyl)-

[3-(Ethylsulfonyl)phenyl]boronic acid

C8H11BO4S (214.0471)

Phenyl 4-hydroxybenzoate

2-Bromoadamantane

2-Acetyloxy-1-(2,4-difluorophenyl)ethanone

Ethyl 2-(3-chlorophenoxy)acetate

2-chloro-1-(2,5-dimethoxyphenyl)ethanone

Phenaglycodol

C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

2-(BENZO[D]THIAZOL-2-YL)ETHANAMINE

2-(2-(3,4-DIFLUOROPHENYL)HYDRAZONO)PROPANOIC ACID

C9H8F2N2O2 (214.0554)

(3-Chloro-5-propoxyphenyl)boronic acid

7-cyano-4-oxo-1H-quinoline-3-carboxylic acid

2-Chloro-3-propoxyphenylboronic acid

4-CHLORO-3-ISOPROPOXYBENZOIC ACID

4-Chloro-3-propoxybenzoic acid

5-(3-Cyanophenyl)-1,2-oxazole-3-carboxylic acid

Ethyl 2-amino-5-isopropylthiazole-4-carboxylate

1-(2-nitrophenyl)-1H-pyrazole-4-carbonitrile

1-(4-CHLORO-2-FLUOROPHENYL)-PIPERAZINE

5-(2-NITROPHENYL)-2-FURONITRILE

4-Methyl-2,2-bipyridine-4-carboxylic acid

6-(Aminomethyl)-2H-1,4-benzoxazin-3(4H)-one hydrochloride (1:1)

2-CHLORO-2,2-DIMETHYL-4-FLUOROPROPIOPHENONE

C11H12ClFO (214.0561)

5-nitro-2,3-dihydro-1H-inden-2-amine,hydrochloride

2,4,6-Trimethylbenzene-1-sulfonohydrazide

N-(2-sulfamoylphenyl)acetamide

N-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide

1-(methylsulfonyl)piperidin-4-amine hydrochloride

C6H15ClN2O2S (214.0543)

2,4-Dihydroxybenzophenone

MALEIC ACID, MONO-2-ACRYLOXYETHYL ESTER

4-Hydroxy-4-biphenylcarboxylic acid

6-PHENYLAMINO-NICOTINIC ACID

(3,4-Dihydroxyphenyl)(phenyl)methanone

3-[Hydroxy(phenyl)phosphoryl]propanoic acid

C9H11O4P (214.0395)

4-Nitro-2-biphenylamine

Ac-Gly-OSu

1-chloro-4-[(E)-2-phenylethenyl]benzene

ethyl 2-cyano-2-(4-cyanophenyl)acetate

2-Amino-N-isopropylbenzenesulfonamide

2-Amino-N-propylbenzenesulfonamide

3-fluoroxanthen-9-one

C13H7FO2 (214.043)

6-CHLORO-2-(4-MORPHOLINYL)-4-PYRIMIDINAMINE

(2,5-Dimethoxyphenyl)acetyl chloride

ethyl 2-(4-hydroxy-2-mercaptopyrimidin-5-yl)acetate

1-(2-Cyanoethyl)indole-6-carboxylic acid

6-(Trifluoromethoxy)quinoxaline

3-Cyano-4-oxo-1,4-dihydro-6-quinolinecarboxylic acid

1-(Cyclopropylsulfonyl)piperidine-4-carbonitrile

1-(5-CHLORO-2,4-DIMETHOXY-PHENYL)-ETHANONE

4-(Phenylthio)Benzaldehyde

4-ETHOXYPHENYL CHLOROACETATE

1-Phenyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole

C10H9F3N2 (214.0718)

1-AMINO-6-NITROINDAN HYDROCHLORIDE

Ethanone, 2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-

4-Nitro-4-biphenylamine

N-(2-formylquinolin-6-yl)acetamide

3-(aminomethyl)-N,N-dimethylbenzenesulfonamide

7-nitro-1,2,3,4-tetrahydroisoquinoline

2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid

Ethyl 2-(acetylamino)-1,3-thiazole-5-carboxylate, 2-Acetamido-5-(ethoxycarbonyl)-1,3-thiazole

N-(3-AMINO-4-CHLOROPHENYL)-2-METHYLPROPANAMIDE

Phenylazoresorcinol

4-HYDROXYBIPHENYL-3-CARBOXYLICACID

3-HYDROXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

9H-Thioxanthen-9-ol

4-Methoxy-2-(methylsulfonyl)benzaldehyde

P-Tolylsulfonglurea

Ethyl 4-hydroxy-2-methylthio-5-pyrimidinecarboxylate

4-methyl-5-nitro-2-phenylpyridine

4-methyl-3-nitro-2-phenylpyridine

2-(2-CHLOROPHENOXY)PROPANOHYDRAZIDE

2-HYDROXY-3-(TRIFLUOROMETHYL)QUINOXALIN

6-(4-FLUOROPHENYL)-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE

C12H7FN2O (214.0542)

(2E)-N-(3,4-DICHLOROPHENYL)-2-(HYDROXYIMINO)ACETAMIDE

ETHYL 6-CHLORO-4-(METHYLAMINO)NICOTINATE

3-(5-Methoxy-1H-indol-3-yl)-3-oxopropanenitrile

Methyl 3-(chloromethyl)-4-methoxybenzoate

4-(MALEINIMIDO)PHENYL ISOCYANATE

2-Methyl-3-(methylsulfonyl)benzoic acid

4-Fluoro-3-(4-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridine

C11H7FN4 (214.0655)

TERT-BUTYL (4-METHYLTHIAZOL-2-YL)CARBAMATE

(2-acetamido-1,3-thiazol-4-yl)methyl acetate

5-(3-HYDROXYPHENYL)-PYRIDINE-3-CARBOXAMIDE

4-(4-methyl-3-nitrophenyl)pyridine

6-(TRIFLUOROMETHYL)-2,3,4-TRIHYDRONAPHTHALEN-1-ONE

4-(2-chloroethoxy)-3-methoxybenzaldehyde

2-Methyl-4-phenyl-5-pyrimidinecarboxylic acid

2-AMINO-5-(4-METHOXY-PHENYL)-FURAN-3-CARBONITRILE

ETHYL 2-AMINO-4-ISOPROPYLTHIAZOLE-5-CARBOXYLATE

butyl 3-chloropropane-1-sulfonate

C7H15ClO3S (214.043)

2 3-NAPHTHALENEDICARBOXAMIDE

Methyl 2-fluoro-3,5-dimethoxybenzoate

C10H11FO4 (214.0641)

METHYL 3-(METHYLSULFONYL)BENZOATE

2-phenylmethoxyethyl carbonochloridate

3-Chloro-4-propoxyphenylboronic acid

Bamnidazole

1H-Imidazole-1-ethanol,2-methyl-5-nitro-, 1-carbamate

C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent

5-amino-N,N,2-trimethyl-benzenesulfonamide

4,7-Dimethoxy-1H-pyrrolo[2,3-c]pyridine monohydrochloride

2-amino-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide

6-(2-CHLORO-ETHYL)-4-METHOXY-BENZO[1,3]DIOXOLE

2-(3-Chlorophenoxy)-2-methylpropanoic acid

2-CHLOROMETHYLFLUORENE

5-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid

Guanidinium sulfate

C2H10N6O4S (214.0484)

Ethyl (2-formamido-1,3-thiazol-4-yl)acetate

4-METHYL-2-PHENYL-5-PYRIMIDINECARBOXYLIC ACID

1-(2-HYDROXY-3,6-DIMETHOXYPHENYL)ETHAN-1-ONE

ALLOXAN TETRAHYDRATE

C4H10N2O8 (214.0437)

Butanoic acid,4-(4-chlorophenoxy)-

2,6-dimethylphenylsulfonylethanol

3-Methanesulfonylphenylacetic acid

Benzenesulfonamide,N-(2-aminoethyl)-4-methyl-

(3,4-DIMETHOXYPHENYL)ACETYL CHLORIDE

N-(3-AMINO-2-METHYLPHENYL)-2-METHOXYACETAMIDE

1-Fluoro-4-(trifluoromethyl)naphthalene

C11H6F4 (214.0406)

(2-CHLORO-5-ISOPROPOXYPHENYL)BORONIC ACID

(2-Chloro-5-propoxyphenyl)boronic acid

(4-Chloro-3-isopropoxyphenyl)boronic acid

(4-Chloro-2-propoxyphenyl)boronic acid

(4-CHLORO-2-ISOPROPOXYPHENYL)BORONIC ACID

(4-Chloro-3-propoxyphenyl)boronic acid

5-TERT-BUTYL-1,3,4-THIADIAZOLE-2-CARBOXYLICACIDETHYLESTER

Pyridin-4-yl-carbamic acid phenyl ester

3-Quinolinecarbonitrile,7-ethoxy-4-hydroxy-(9CI)

3-(4-chloro-2-methylphenoxy)propionic acid

3-(2-METHOXYBENZYLOXY)PROPYL CHLORIDE

3-Nitrobiphenyl-4-ylamine

Thiourea,N-(3-chloro-4-methylphenyl)-N-methyl-

3-(Phenylsulfonyl)propanoic acid

Thiazolo[4,5-f]quinoline, 7,9-dimethyl- (9CI)

Isopropyl 4-methylbenzenesulfonate

5-(4-chlorophenoxy)pentan-1-ol

4-CHLOROMETHYL-1,2-DIETHOXY-BENZENE

4-AMINO-N-PROPYL-BENZENESULFONAMIDE

Dimethyl(4-vinylbenzyl)sulfonium chloride

C11H15S.Cl (214.0583)

1H-INDOLE-3-PROPANOIC ACID, 5-CYANO-

(3-Cyano-2-methyl-indol-1-yl)-acetic acid

1-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

C12H7FN2O (214.0542)

2-chloro-1-(2,4-dimethoxyphenyl)ethanone

5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

3-(3-CHLORO-4-METHOXYPHENYL)PROPIONIC A&

5-(4-ACETYL-PHENYL)-FURAN-2-CARBALDEHYDE

N-(prop-2-ynoxymethyl)morpholine-4-carbothioamide

4-(2,4-Difluorophenyl)-4-oxobutanoic acid

3-(4-(methylsulfonyl)phenyl)propan-1-ol

5-HYDROXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

6-METHYL-2-OXO-4-THIOXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER

4-(3-CHLORO-PHENOXY)-BUTYRIC ACID

Magnesium acetate tetrahydrate

C4H14MgO8 (214.0539)

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].

2,4-dimethylphenylsulfonylethanol

2-Methyl-4-(methylsulfonyl)benzoic Acid

4-chloro-3,5-xylyloxyacetic acid

Methyl 2-amino-6-fluoro-3-nitrobenzoate

C8H7FN2O4 (214.039)

Ethyl 2-(dimethylaminomethyl)-4-thiazolecarboxylate

1-(3-Chloro-4-methoxyphenyl)-3-methylurea

Urea, N-(3-chloro-4-methoxyphenyl)-N-methyl-

N-(PIPERIDIN-4-YL)METHANESULFONAMIDE HYDROCHLORIDE

C6H15ClN2O2S (214.0543)

5-Methyl-2-(2-pyrimidinyl)benzoic acid

4-(Chloromethyl)-1-isopropoxy-2-methoxybenzene

3-(6-methylpyrazin-2-yl)oxybenzaldehyde

7-(TRIFLUOROMETHYL)-1-TETRALONE

glyphosate-dimethylammonium

C5H15N2O5P (214.0719)

2,2,2-trifluoro-1-(1H-indazol-5-yl)ethanone

Pyridine,2-[(4-nitrophenyl)methyl]-

1,4-Pentadien-3-one,1,5-di-2-furanyl-

1-(1-(4-CHLOROPHENYL)VINYL)BENZENE

3-(4-chlorophenyl)-2-methoxypropanoic acid

Benzenesulfonic acid,butyl ester

7-(TRIFLUOROMETHYL)QUINAZOLIN-4(3H)-ONE

3-HYDROXY-[1,1-BIPHENYL]-2-CARBOXYLIC ACID

3-CHLORO-4-(HYDRAZINOCARBONYL)BENZENEBORONIC ACID

C7H8BClN2O3 (214.0316)

1-(methylsulfonyl)-1,4-diazepane(SALTDATA: HCl)

C6H15ClN2O2S (214.0543)

1-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-4-carbonitrile

C12H7FN2O (214.0542)

5-(4-Cyanophenyl)-1,2-oxazole-3-carboxylic acid

4-(Ethylsulfonyl)-N1-methyl-1,2-benzenediamine

7-(Trifluoromethyl)-4-azaindole-3-carboxaldehyde

4-Tert-butylbenzenesulfonic acid

2-Pyranone, 4-hydroxy-6-(2-phenylethenyl)-, (E)-

4-Phenylbutane-1-sulfonic acid

N-(2-hydroxyphenyl)pyridine-3-carboxamide

N-(2-Hydroxyphenyl)-4-pyridinecarboxamide

9H-Fluoren-9-one, 1,9a-dihydro-1,9a-dihydroxy-, cis-(+)-

1-(Tetrahydro-2-pyranyl)-5-fluorouracil

1-Valeryl-5-fluorouracil

5-Fluoro-3-(tetrahydropyran-2-yl)uracil

5-Fluoro-1-[(oxolan-2-yl)methyl]pyrimidine-2,4(1H,3H)-dione

3- Allylphenol sulfate

[3-(Prop-2-en-1-yl)phenyl]oxidanesulphonic acid

(2Z,4E)-2-hydroxy-6-oxonona-2,4-dienedioic acid

(Z)-2-ethyl-4,6-dioxohept-2-enedioic acid

Dimethyl ferrocene

C12H14Fe-6 (214.0445)

3-Furan-2-yl-N-pyridin-3-yl-acrylamide

2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile

4-(2-Amino-1-hydroxyethyl)-5-nitrobenzene-1,2-diol

CID 11986721

C12H14Fe-6 (214.0445)

(3R)-3-(4-chlorophenyl)-4-hydroxybutanoic acid

3-[(1E)-buta-1,3-dienyl]-5-hydroxyisochromen-1-one

3-Methyl-1-(tetrahydrofuran-2-yl)-5-fluorouracil

1-Methyl-3-(tetrahydrofuran-2-yl)-5-fluorouracil

amifostine

C5H15N2O3PS (214.0541)

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].

mecoprop-p

(2E,4Z)-2-hydroxy-6-oxonona-2,4-dienedioic acid

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

1,10-dihydro-1,10-dihydroxyfluoren-9-one

2,4-DIHYDROXYBENZOPHENONE

Ethyl 3-(furfurylthio)propionate

1-Methyl-3-(2-thiazolyl)-1H-indole

4-Allylphenol sulfate

N,N-dimethyl-N-p-tolylsulfamide

A member of the class of sulfamides that is N,N-dimethylsulfuric diamide substituted by a 4-methylphenyl group at the amino nitrogen atom. It is a metabolite of the agrochemical tolylfluanid.

1-Hydro-1,1a-dihydroxy-9-fluorenone

9H-Fluoren-9-one, 1,9a-dihydro-1,9a-dihydroxy-, cis-(+)-

7beta-aminodeacetoxycephalosporanic acid

A cephem monocarboxylic acid derivative having a structure based on cephalosporanic acid, deacetoxylated and carrying a 7beta-amino group.

4,4'-Dihydroxybenzophenone

Dihydroxybenzophenone

Phenoxybenzoic acid

Dihydroxydihydrofluorenone

Allylphenol sulfate

4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yn-1-ol

5-hydroxy-3-methyl-9h-naphtho[2,3-c]furan-4-one

(1s,2z,5s,6s)-2-(octa-2,4,6-triyn-1-ylidene)-3,7-dioxabicyclo[4.1.0]heptan-5-ol

1-hydroxy-9h-pyrido[3,4-b]indole-3,4-dione

(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

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_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