Exact Mass: 380.0451
Exact Mass Matches: 380.0451
Found 227 metabolites which its exact mass value is equals to given mass value 380.0451,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Econazole
Econazole is only found in individuals that have used or taken this drug. It is a broad spectrum antimycotic with some action against Gram positive bacteria. It is used topically in dermatomycoses also orally and parenterally. [PubChem]Econazole interacts with 14-alpha demethylase, a cytochrome P-450 enzyme necessary to convert lanosterol to ergosterol. As ergosterol is an essential component of the fungal cell membrane, inhibition of its synthesis results in increased cellular permeability causing leakage of cellular contents. Econazole may also inhibit endogenous respiration, interact with membrane phospholipids, inhibit the transformation of yeasts to mycelial forms, inhibit purine uptake, and impair triglyceride and/or phospholipid biosynthesis. CONFIDENCE standard compound; INTERNAL_ID 646; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8761; ORIGINAL_PRECURSOR_SCAN_NO 8759 CONFIDENCE standard compound; INTERNAL_ID 646; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8812; ORIGINAL_PRECURSOR_SCAN_NO 8810 CONFIDENCE standard compound; INTERNAL_ID 646; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8821; ORIGINAL_PRECURSOR_SCAN_NO 8819 CONFIDENCE standard compound; INTERNAL_ID 646; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8721; ORIGINAL_PRECURSOR_SCAN_NO 8717 CONFIDENCE standard compound; INTERNAL_ID 646; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8770; ORIGINAL_PRECURSOR_SCAN_NO 8769 CONFIDENCE standard compound; INTERNAL_ID 646; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8808; ORIGINAL_PRECURSOR_SCAN_NO 8805 G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Diphyllin
Diphyllin is a lignan. Diphyllin is a natural product found in Haplophyllum alberti-regelii, Haplophyllum bucharicum, and other organisms with data available. Origin: Plant Diphyllin is an arylnaphthalene lignan isolated from Justicia procumbens and is a potent HIV-1 inhibitor with an IC50 of 0.38 μM. Diphyllin is active against vesicular stomatitis virus (VSV) and influenza virus[1]. Diphyllin is a vacuolar type H+-ATPase (V-ATPase) inhibitor with an IC50 value of 17 nM and inhibits lysosomal acidification in human osteoclasts[2]. Diphyllin inhibits NO production with an IC50 of 50 μM and has anticancer and anti-inflammatory activities[3]. Diphyllin is an arylnaphthalene lignan isolated from Justicia procumbens and is a potent HIV-1 inhibitor with an IC50 of 0.38 μM. Diphyllin is active against vesicular stomatitis virus (VSV) and influenza virus[1]. Diphyllin is a vacuolar type H+-ATPase (V-ATPase) inhibitor with an IC50 value of 17 nM and inhibits lysosomal acidification in human osteoclasts[2]. Diphyllin inhibits NO production with an IC50 of 50 μM and has anticancer and anti-inflammatory activities[3].
Tetracenomycin D3
A tetracenomycin that is 1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylic acid bearing four hydroxy substituents at positions 3, 8, 10 and 12.
6-Thioxanthine 5'-monophosphate
6-Thioxanthine 5-monophosphate is a metabolite of mercaptopurine. Mercaptopurine (also called 6-mercaptopurine, 6-MP or its brand name Purinethol) is an immunosuppressive drug. It is a thiopurine. (Wikipedia)
Rhodamine 123
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Rhodamine 123
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes
4-Methoxybenzyl O-(2-sulfoglucoside)
4-Methoxybenzyl O-(2-sulfoglucoside) is found in herbs and spices. 4-Methoxybenzyl O-(2-sulfoglucoside) is found in fenne Found in fennel
4,11-Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione
4,11-Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione is a fda approved colourant for food contact polymers. FDA approved colourant for food contact polymers
Cyananin
Cyananin is found in potato. Cyananin is present in cultivated red potatoes (Solanum phureja). Present in cultivated red potatoes (Solanum phureja). Cyananin is found in potato.
Tectorigenin 4'-sulfate
Tectorigenin 4-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Tectorigenin 7-sulfate
Tectorigenin 7-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
6-Thioxanthylic acid
6-Thioxanthylic acid is a metabolite of azathioprine. Azathioprine is a purine analogue immunosuppressive drug. It is used to prevent rejection following organ transplantation, and to treat a vast array of autoimmune diseases, including rheumatoid arthritis, pemphigus, inflammatory bowel disease, multiple sclerosis, autoimmune hepatitis, atopic dermatitis, myasthenia gravis, neuromyelitis optica or Devics disease, restrictive lung disease, and others. (Wikipedia)
5'-Sulfamoyl-2-chloroadenosine
Piclamilast
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
1,4-Diamino-2,3-dicyano-1,4-bis(o-aminophenylmercapto)butadiene
Edetate sodium
Chelating agent used in food processing. Ethylenediaminetetraacetic acid, widely abbreviated as EDTA, is a polyamino carboxylic acid and a colourless, water-soluble solid. Its conjugate base is named ethylenediaminetetraacetate. It is widely used to dissolve limescale. Its usefulness arises because of its role as a hexadentate ("six-toothed") ligand and chelating agent S - Sensory organs > S01 - Ophthalmologicals Chelating agent used in food processing
4-(1,3-benzodioxol-5-yl)-1-hydroxy-6,7-dimethoxy-1H-benzo[f]isobenzofuran-3-one
Verongamine
A monocarboxylic acid amide that is N-[2-(1H-imidazol-4-yl)ethyl]propanamide substituted by a hydroxyimino group at position 2 and a 3-bromo-4-methoxyphenyl group at position 3. A bromotyrosine derivative isolated from the marine sponge Verongula gigantea, it exhibits histamine-H3 antagonist activity.
3-ethyl 3-methyl 4,4,5,5,6,6-hexahydroxy[1,1-biphenyl]-3,3-dicarboxylate
4-Hydroxy-7,8-(methylenedioxy)-9-(6-hydroxy-1,3-benzodioxole-5-yl)naphtho[2,3-c]furan-1(3H)-one
2-O-Acetylcycloleucomelon|Cycloleucomelon-2-acetat|cycloleucomelon-2-acetate
3,5-Dihydroxy-4-[2,3-dihydroxy-4-methoxy-6-(ethoxycarbonyl)phenoxy]benzoic acid
O1-(4-Chlor-biphenyl-4-yl)-beta-D-glucopyranuronsaeure|O1-(4-chloro-biphenyl-4-yl)-beta-D-glucopyranuronic acid
10-(3,4-dimethoxyphenyl)-6-hydroxyfuro[3,4:6,7]naphtho[1,2-d]-1,3-dioxol-9(7h)-one
(E)-14,14-dibromotetra-deca-2,13-dienoic acid|(E)-14,14-dibromotetradeca-2,13-dienoic acid|motualevic acid E
U-0126
U0126 is a potent, non-ATP competitive and selective MEK1 and MEK2 inhibitor, with IC50s of 72 nM and 58 nM, respectively. U0126 is an autophagy and mitophagy inhibitor[1][2][3][4].
4-Methoxybenzyl O-(2-sulfoglucoside)
Tectorigenin 4'-sulfate
Tectorigenin 7-sulfate
1-(naphthalen-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
1-BOC-5-BROMO-1,2-DIHYDRO-2-OXO-SPIRO[3H-INDOLE-3,4-PIPERIDINE]
2-(4-((3-AMINO-6-BROMOQUINOLIN-4-YL)AMINO)PHENYL)-2-METHYLPROPANENITRILE
Methyl 4-acetoxy-8-bromo-5-isopropoxy-2-naphthoate
Furo[3,4:6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)- one,5-(3,4-dimethoxyphenyl)-9-hydroxy-
2,2-BIS(4-HYDROXYPHENYL)HEXAFLUOROPROPANE, DISODIUM SALT
(3-Bromomethyl-4-trifluoromethoxyphenylboronic acid, pinacol ester
1H-1,4-Diazepine,hexahydro-1,4-bis(phenylsulfonyl)-
(2S,3S)-4-BROMO-CIS-2,3-EPOXYBUTYL (1S)- 10-CAMPHORSULFONATE
2,9-dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione
BIS(ACETONITRILE)(1,5-CYCLOOCTADIENE) RHODIUM(1) TETRAFLUOROBORATE
Benzamide,N-[4-bromo-2-(2-pyridinylcarbonyl)phenyl]-
CHLORO(1,5-CYCLOOCTADIENE)(PENTAMETHYLCYCLOPENTADIENYL)RUTHENIUM
3-CHLORO-4-[2-(4-CHLOROPHENYL)HYDRAZONO]-2-(4-METHOXYPHENOXY)BUT-2-ENOIC ACID
trisodium phosphate
Nutrient supplement, pH control agent, sequestrant, stabiliser, protein modifier, emulsifier in production of processed cheeses, indirect food additive arising from use as a boiler water additive
2-Methyl-2-propanyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-p iperazinecarboxylate
1H-Pyrazole-4,5-dione,1-(4-chlorophenyl)-3-methyl-, 4-[2-[3-(trifluoromethyl)phenyl]hydrazone]
CL-387,785
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
bis(ethyl acetoacetato-O1,O3)[propane-1,3-diolato(2-)-O,O]titanium
2-[2-(bromomethyl)-4-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
n-(2,3,4,5,6-Pentaflouro-benzyl)-4-sulfamoyl-benzamide
1-[(2s)-2-[(4-Chlorobenzyl)oxy]-2-(2,4-Dichlorophenyl)ethyl]-1h-Imidazole
U0126
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2149 - Mitogen-Activated Protein Kinase Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor D004791 - Enzyme Inhibitors U0126 is a potent, non-ATP competitive and selective MEK1 and MEK2 inhibitor, with IC50s of 72 nM and 58 nM, respectively. U0126 is an autophagy and mitophagy inhibitor[1][2][3][4].
1-[(2r)-2-[(4-Chlorobenzyl)oxy]-2-(2,4-Dichlorophenyl)ethyl]-1h-Imidazole
4-(4-Dimethylaminostyryl)-1-ethylpyridinium iodide
3-nitro-N-[(3-sulfamoylanilino)-sulfanylidenemethyl]benzamide
2-(4-Methoxyphenyl)-2-oxo-1-phenylethyl 2-chlorobenzoate
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
3-[2-(4-Chlorophenyl)-2-oxoethoxy]-1-hydroxy-9-xanthenone
(5Z)-5-(3-Bromocyclohexa-2,5-dien-1-ylidene)-N-(pyridin-4-ylmethyl)-1,5-dihydropyrazolo[1,5-A]pyrimidin-7-amine
Piclamilast
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
4-Hydroxy-6-methylpretetramide(1-)
A phenolate anion that is the conjugate base of 4-hydroxy-6-methylpretetramide, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
[1-(2-amino-7-methyl-4-oxo-7,8-dihydro-3H-pteridin-6-yl)]ethyl diphosphate
1-[3,4-Dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]pyridin-1-ium-2,3-dicarboxylic acid
Pyridinium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide
4-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline;iodide
4-hydroxybenzoic acid 4-(6-O-sulfo)glucopyranoside
A natural product found in Ferula gumosa.
2-Methylsulfonyl-4,6-diphenyl-3-thieno[2,3-b]pyridinamine
4-[[7-Methoxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid
N-(4-bromophenyl)-5-tert-butyl-2-methyl-4-nitro-3-pyrazolecarboxamide
(5E)-3-(3-chloro-4-fluorophenyl)-2-(propylthio)-5-(thien-2-ylmethylene)-3,5-dihydro-4H-imidazol-4-one
2-[[(2-Chlorophenyl)-oxomethyl]amino]acetic acid [2-(2-chloroanilino)-2-oxoethyl] ester
econazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
4,11-dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione
5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
Nogalonate(2-)
An oxo monocarboxylic acid anion obtained by deprotonation of the carboxy as well as the 5-hydroxy group of nogalonic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
3-[2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
4-[6-(ethoxycarbonyl)-2,3-dihydroxy-4-methoxyphenoxy]-3,5-dihydroxybenzoic acid
(1s,6r)-4-chloro-2',4',11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),3,5',7',8,9',11'-heptaene-5,7,10-trione
4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-h]chromen-8-one
6-hydroxy-20-methoxy-2,12,21-trioxahexacyclo[9.9.1.1¹,¹³.1³,⁷.0¹¹,²³.0¹⁷,²²]tricosa-3,5,7(23),13(22),14,16-hexaene-8,18-dione
9-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
16-(3,4-dimethoxyphenyl)-10-hydroxy-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one
4-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-h]chromen-8-one
4,6,9,12,14-pentahydroxy-10-(4-hydroxyphenyl)tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
4-hydroxy-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
8-(2h-1,3-benzodioxol-5-yl)-5-hydroxy-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
5-o-β-d-glucopyranosyl-6-hydroxyangelicin
{"Ingredient_id": "HBIN011837","Ingredient_name": "5-o-\u03b2-d-glucopyranosyl-6-hydroxyangelicin","Alias": "NA","Ingredient_formula": "C17H16O10","Ingredient_Smile": "C1=CC(=O)OC2=C1C(=C(C3=C2C=CO3)O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8663","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-o-β-d-glucopyranosyl-8-hydroxypsoralen
{"Ingredient_id": "HBIN011838","Ingredient_name": "5-o-\u03b2-d-glucopyranosyl-8-hydroxypsoralen","Alias": "NA","Ingredient_formula": "C17H16O10","Ingredient_Smile": "C1=CC(=O)OC2=C1C(=C3C=COC3=C2O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8676","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-β-d-glucopyranosyl-5-hydroxyangelicin
{"Ingredient_id": "HBIN012641","Ingredient_name": "6-o-\u03b2-d-glucopyranosyl-5-hydroxyangelicin","Alias": "NA","Ingredient_formula": "C17H16O10","Ingredient_Smile": "C1=CC(=O)OC2=C1C(=C(C3=C2C=CO3)OC4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8664","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-o-β-d-glucopyranosyl-5-hydroxypsoralen
{"Ingredient_id": "HBIN013847","Ingredient_name": "8-o-\u03b2-d-glucopyranosyl-5-hydroxypsoralen","Alias": "NA","Ingredient_formula": "C17H16O10","Ingredient_Smile": "C1=CC(=O)OC2=C1C(=C3C=COC3=C2OC4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8677","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
