Exact Mass: 326.1882
Exact Mass Matches: 326.1882
Found 165 metabolites which its exact mass value is equals to given mass value 326.1882,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Docebenone
D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor Docebenone (AA 861) is a potent, selective and orally active 5-LO (5-lipoxygenase) inhibitor.
Moxestrol
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones ATC code: G03CB04
Acitretin
D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BB - Retinoids for treatment of psoriasis C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D003879 - Dermatologic Agents > D007641 - Keratolytic Agents
4-Dodecylbenzenesulfonic Acid
4-Dodecylbenzenesulfonic Acid is a sodium dodecylbenzenesulfonate, a series of organic compounds with the formula C12H25C6H4SO3Na. It is a colourless salt with useful properties as a surfactant. It is usually produced as a mixture of related sulfonates. It is a major component of laundry detergent. (Wikipedia)
Heptaethylene glycol
Heptaethylene glycol belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
Isoacitretin
Isoacitretin is an oral retinoid effective in the treatment of psoriasis. It is the major metabolite of etretinate with the advantage of a much shorter half-life when compared with etretinate (Pubchem). An oral retinoid effective in the treatment of psoriasis. It is the major metabolite of etretinate with the advantage of a much shorter half-life when compared with etretinate. -- Pubchem [HMDB] D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D003879 - Dermatologic Agents > D007641 - Keratolytic Agents
Acitretin
Acitretin is only found in individuals that have used or taken this drug. It is an oral retinoid effective in the treatment of psoriasis. It is the major metabolite of etretinate with the advantage of a much shorter half-life when compared with etretinate (PubChem). The mechanism of action of acitretin is unknown, however it is believed to work by targeting specific receptors (retinoid receptors such as RXR and RAR) in the skin which help normalize the growth cycle of skin cells. An oral retinoid effective in the treatment of psoriasis. It is the major metabolite of etretinate with the advantage of a much shorter half-life when compared with etretinate. -- Pubchem [HMDB] D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BB - Retinoids for treatment of psoriasis C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D003879 - Dermatologic Agents > D007641 - Keratolytic Agents
2-Dodecylbenzenesulfonic acid
The Na salt is likely to be a minor component of sodium laurybenzenesulfonate used as a detergent in food processing. See
(17R)-17-Ethynyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Buparvaquone
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
2-(12-Hydroxydodec-1-en-5,10-diynyl)-3,5,6-trimethylbenzene-1,4-diol
Octabenzone
CONFIDENCE standard compound; INTERNAL_ID 434; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9853; ORIGINAL_PRECURSOR_SCAN_NO 9852 CONFIDENCE standard compound; INTERNAL_ID 434; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 11562; ORIGINAL_PRECURSOR_SCAN_NO 11560 CONFIDENCE standard compound; INTERNAL_ID 434; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9908; ORIGINAL_PRECURSOR_SCAN_NO 9907 CONFIDENCE standard compound; INTERNAL_ID 434; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9929; ORIGINAL_PRECURSOR_SCAN_NO 9928 CONFIDENCE standard compound; INTERNAL_ID 434; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9896; ORIGINAL_PRECURSOR_SCAN_NO 9894 CONFIDENCE standard compound; INTERNAL_ID 434; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9937; ORIGINAL_PRECURSOR_SCAN_NO 9936
Buparvaquone
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
6,7-Didehydro-(20S)-20-Hydroxy-3-oxopregn-4-en-18-oic acid
(3S,5R)-3-Hydroxy-5-ethoxy-1-(4-hydroxyphenyl)-7-phenyl-6E-heptene
3-Methyl-2-pentenoyl-5,6-Secofuranoeremophila-1(10),2,4-trien-6-ol
11alpha-hydroxy-18,20-oxido-3-oxo-pregna-1,4,17(20)-triene|pubadysone
9,10-Dihydro-4-(1-ethoxyethyl)-1,8-dimethyl-2-methoxyphenanthrene-7-ol
kibalaurifenone|pregn-3,5-diene-7-one-18,20-lactone
1,11-di-3-furanyl-4,8-dimethyl-2,6,8-undecatrien-4-ol
8-hydroxy-2-(6-phenylhexyl)-5,6,7,8-tetrahydrochromone
5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone
2-O-Methylbroussonin C
4-(3-(4-Hydroxy-2-methoxyphenyl)propyl)-2-(3-methylbut-2-en-1-yl)phenol is a natural product found in Broussonetia papyrifera with data available.
Dodecylbenzenesulfonic acid
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8762
Etymemazine
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Soriatane
D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BB - Retinoids for treatment of psoriasis C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D003879 - Dermatologic Agents > D007641 - Keratolytic Agents
Isoacitretin
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D003879 - Dermatologic Agents > D007641 - Keratolytic Agents
LABSA
A member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 2 of the phenyl ring is substituted by a dodecyl group. D013501 - Surface-Active Agents D000890 - Anti-Infective Agents D004202 - Disinfectants
AA-861
D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor Docebenone (AA 861) is a potent, selective and orally active 5-LO (5-lipoxygenase) inhibitor.
[2-[(8S,9R,10S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
(2S,3aS,7aS)-1-{N-[(methyloxy)carbonyl]-L-valyl}octahydro-1H-indole-2-carboxylic acid
2-Amino-3-benzyloxypyridine-5-boronic acid pinacol ester
Triptophenolide methyl ether
A tetracyclic diterpenoid with formula C21H26O3, originally isolated from Tripterygium wilfordii.
1-(2-(2-Methyl-5-pyridyl)ethyl)-3-phenyl-2-methylindole
(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
4-DODECYLBENZENESULFONIC ACID
Surfactant for use in washing or lye peeling of fruit and vegetables and poultry scald solutions
2-(12-Hydroxydodec-1-en-5,10-diynyl)-3,5,6-trimethylbenzene-1,4-diol
1-{(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
4-(4-morpholinyl)-N-phenyl-6-(1-pyrrolidinyl)-1,3,5-triazin-2-amine
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
1-(4-Fluorophenyl)-3-(4-methyl-1-piperazinyl)-2-phenyl-1-propanone
(2S,3S)-2-Benzyloxy-4-(tert-butyldimethylsilyloxy)butan-1,3-diol
2-Deamino-2-hydroxyneamine(3+)
An organic cation obtained by protonation of the three amino groups of 2-deamino-2-hydroxyneamine; major species at pH 7.3.
6-[7-hydroxy-4-methyl-3-(propan-2-ylidene)heptyl]naphthalene-1,4-dione
methyl (4s,4ar,11bs)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate
(3as,3br,9bs,11as)-3b,11a-dimethyl-1-oxo-2h,3h,3ah,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
5-[(1r)-1-ethoxyethyl]-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol
(3ar,3bs,9ar,9br,11r,11as)-1-acetyl-11-hydroxy-9a,11a-dimethyl-3h,3ah,3bh,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1s,2s,9s,11r,12r,13s)-11-hydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-5,14,17-trien-16-one
2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane
(3e,7z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one
(1r,3as,3br,5r,9bs,11as)-1-ethynyl-7-methoxy-11a-methyl-2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthrene-1,5-diol
4-[(3s,5r,6e)-5-ethoxy-3-hydroxy-7-phenylhept-6-en-1-yl]phenol
3b,11a-dimethyl-1-oxo-2h,3h,3ah,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
11α-hydroxy 18,20-oxido-3-oxo-pregna-1,4,17(20)-triene
{"Ingredient_id": "HBIN000347","Ingredient_name": "11\u03b1-hydroxy 18,20-oxido-3-oxo-pregna-1,4,17(20)-triene","Alias": "NA","Ingredient_formula": "C21H26O3","Ingredient_Smile": "CC1=C2CCC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)CO1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10556","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,5r)-3-hydroxy-5-ethoxy-1-(4-hydroxy-phenyl)-7-phenyl-6 e-heptene
{"Ingredient_id": "HBIN009646","Ingredient_name": "(3s,5r)-3-hydroxy-5-ethoxy-1-(4-hydroxy-phenyl)-7-phenyl-6 e-heptene","Alias": "NA","Ingredient_formula": "C21H26O3","Ingredient_Smile": "CCOC(CC(CCC1=CC=C(C=C1)O)O)C=CC2=CC=CC=C2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10098","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,5s)-3-hydroxy-5-ethoxy-1-(4-hydroxy-phenyl)-7-phenyl-6 e-heptene
{"Ingredient_id": "HBIN009667","Ingredient_name": "(3s,5s)-3-hydroxy-5-ethoxy-1-(4-hydroxy-phenyl)-7-phenyl-6 e-heptene","Alias": "NA","Ingredient_formula": "C21H26O3","Ingredient_Smile": "CCOC(CC(CCC1=CC=C(C=C1)O)O)C=CC2=CC=CC=C2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10099","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-(1-ethoxy-ethyl)-2-hydroxy-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene
{"Ingredient_id": "HBIN010958","Ingredient_name": "5-(1-ethoxy-ethyl)-2-hydroxy-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene","Alias": "NA","Ingredient_formula": "C21H26O3","Ingredient_Smile": "CCOC(C)C1=CC(=C(C2=C1C3=C(CC2)C(=C(C=C3)O)C)C)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7402","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
