Exact Mass: 504.0522
Exact Mass Matches: 504.0522
Found 99 metabolites which its exact mass value is equals to given mass value 504.0522
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Hypericin
Hypericin is found in alcoholic beverages. Hypericin is widespread in Hypericum species especially Hypericum perforatum (St Johns Wort) Hypericin is a red-coloured anthraquinone-derivative, which, together with hyperforin, is one of the principal active constituents of Hypericum (Saint Johns wort). Hypericin is believed to act as an antibiotic and non-specific kinase inhibitor. Hypericin may inhibit the action of the enzyme dopamine -hydroxylase, leading to increased dopamine levels, although thus possibly decreasing norepinephrine and epinephrine D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents Widespread in Hypericum subspecies especies Hypericum perforatum (St Johns Wort) D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents C1907 - Drug, Natural Product D004791 - Enzyme Inhibitors Hypericin is a carbopolycyclic compound. It has a role as an antidepressant. It derives from a hydride of a bisanthene. Hypericin is a natural product found in Hypericum adenotrichum, Hypericum bithynicum, and other organisms with data available. Hypericin is an anthraquinone derivative that is naturally found in the yellow flower of Hypericum perforatum (St. Johns wort) with antidepressant, potential antiviral, antineoplastic and immunostimulating activities. Hypericin appears to inhibit the neuronal uptake of serotonin, norepinephrine, dopamine, gamma-amino butyric acid (GABA) and L-glutamate, which may contribute to its antidepressant effect. Hypericin may also prevent the replication of encapsulated viruses probably due to inhibition of the assembly and shedding of virus particles in infected cells. This agent also exerts potent phototoxic effects by triggering apoptotic signaling that results in formation of reactive oxygen species. Hypericin is a naturally occurring substance found in Hyperlcurn perforatum L. Hypericin is an inhibitor of PKC (protein kinase C), MAO (monoaminoxidase), dopamine-beta-hydroxylase, reverse transcriptase, telomerase and CYP (cytochrome P450). Hypericin shows antitumor, antiviral, antidepressive activities, and can induce apoptosis[1][2][3]. Hypericin is a naturally occurring substance found in Hyperlcurn perforatum L. Hypericin is an inhibitor of PKC (protein kinase C), MAO (monoaminoxidase), dopamine-beta-hydroxylase, reverse transcriptase, telomerase and CYP (cytochrome P450). Hypericin shows antitumor, antiviral, antidepressive activities, and can induce apoptosis[1][2][3].
Luteolin 3'-(3'-acetylglucuronide)
Luteolin 3-(3-acetylglucuronide) is found in herbs and spices. Luteolin 3-(3-acetylglucuronide) is isolated from Rosmarinus officinalis (rosemary). Isolated from Rosmarinus officinalis (rosemary). Luteolin 3-(3-acetylglucuronide) is found in herbs and spices and rosemary.
3-Methylellagic acid 8-(4-acetylrhamnoside)
3-Methylellagic acid 8-(4-acetylrhamnoside) is a constituent of Eucalyptus globulus (Tasmanian blue gum). Constituent of Eucalyptus globulus (Tasmanian blue gum)
Gomphrenol 3-methylether 4'-glucuronide
Gomphrenol 3-methylether 4-glucuronide is found in green vegetables. Gomphrenol 3-methylether 4-glucuronide is a constituent of spinach (Spinacia oleracea). Constituent of spinach (Spinacia oleracea). Gomphrenol 3-methylether 4-glucuronide is found in green vegetables and spinach.
3-Methylellagic acid 8-(2-acetylrhamnoside)
3-Methylellagic acid 8-(2-acetylrhamnoside) is a constituent of Eucalyptus globulus (Tasmanian blue gum).
3-Methylellagic acid 8-(3-acetylrhamnoside)
3-Methylellagic acid 8-(3-acetylrhamnoside) is a constituent of Eucalyptus globulus (Tasmanian blue gum). Constituent of Eucalyptus globulus (Tasmanian blue gum)
Luteolin 3'-(4'-acetylglucuronide)
Luteolin 3-(4-acetylglucuronide) is found in herbs and spices. Luteolin 3-(4-acetylglucuronide) is a constituent of the leaves of Rosmarinus officinalis (rosemary). Constituent of the leaves of Rosmarinus officinalis (rosemary). Luteolin 3-(4-acetylglucuronide) is found in herbs and spices and rosemary.
J Acid urea
(6-Iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-yl)(4-methoxyphenyl)methanone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists
5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide
5,4-dihydrox-3-methoxy-6,7-methylenedioxyflavone 4-glucuronide is a member of the class of compounds known as flavonoid o-glucuronides. Flavonoid o-glucuronides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. 5,4-dihydrox-3-methoxy-6,7-methylenedioxyflavone 4-glucuronide is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 5,4-dihydrox-3-methoxy-6,7-methylenedioxyflavone 4-glucuronide can be found in spinach, which makes 5,4-dihydrox-3-methoxy-6,7-methylenedioxyflavone 4-glucuronide a potential biomarker for the consumption of this food product.
5,4-Dihydrox-3-methoxy-6,7-methylenedioxyflavone 4-glucuronide
Luteolin 3-(3-acetylglucuronide)
AVE9423
CONFIDENCE standard compound; INTERNAL_ID 480; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4771; ORIGINAL_PRECURSOR_SCAN_NO 4770 CONFIDENCE standard compound; INTERNAL_ID 480; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4787; ORIGINAL_PRECURSOR_SCAN_NO 4786 CONFIDENCE standard compound; INTERNAL_ID 480; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4682; ORIGINAL_PRECURSOR_SCAN_NO 4680 CONFIDENCE standard compound; INTERNAL_ID 480; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4720; ORIGINAL_PRECURSOR_SCAN_NO 4716 CONFIDENCE standard compound; INTERNAL_ID 480; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4701; ORIGINAL_PRECURSOR_SCAN_NO 4699 CONFIDENCE standard compound; INTERNAL_ID 480; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9077; ORIGINAL_PRECURSOR_SCAN_NO 9075 CONFIDENCE standard compound; INTERNAL_ID 480; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9125; ORIGINAL_PRECURSOR_SCAN_NO 9123 CONFIDENCE standard compound; INTERNAL_ID 480; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9146; ORIGINAL_PRECURSOR_SCAN_NO 9144 CONFIDENCE standard compound; INTERNAL_ID 480; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9175; ORIGINAL_PRECURSOR_SCAN_NO 9174 CONFIDENCE standard compound; INTERNAL_ID 480; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9176; ORIGINAL_PRECURSOR_SCAN_NO 9175 CONFIDENCE standard compound; INTERNAL_ID 480; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9191; ORIGINAL_PRECURSOR_SCAN_NO 9189
AM630
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists
3-O-methyl-4-(4-O-acetyl)-O-alpha-L-rhamnopyranosylellagic acid
3-O-methyl-4-(3-O-acetyl)-alpha-L-rhamnopyranosylellagic acid
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 2-O-acetyl-beta-D-glucopyransiduronic acid
4-O-methylellagic acid 3-(4-O-acetyl)-alpha-L-rhamnoside|4-O-methylellagic acid 3-(4-O-acetyl)-alpha-rhamnoside|4-O-Methylellagic acid 3-(4-O-acetyl)-??-rhamnoside
3-O-methylellagic acid 4-O-alpha-L-2-O-acetylrhamnopyranoside|3-O-methylellagic acid-4-(2-O-acetyl)-O-alpha-rhamnopyranoside
4-O-methylellagic acid 3-(3-O-acetyl)-alpha-rhamnoside|4-O-Methylellagic acid 3-(3-O-acetyl)-??-rhamnoside
per-acetyl 3,3?-di-O-methylellagic-4-O-beta-D-xylopyranoside
Hypericin
Hypericin is a carbopolycyclic compound. It has a role as an antidepressant. It derives from a hydride of a bisanthene. Hypericin is a natural product found in Hypericum adenotrichum, Hypericum bithynicum, and other organisms with data available. Hypericin is an anthraquinone derivative that is naturally found in the yellow flower of Hypericum perforatum (St. Johns wort) with antidepressant, potential antiviral, antineoplastic and immunostimulating activities. Hypericin appears to inhibit the neuronal uptake of serotonin, norepinephrine, dopamine, gamma-amino butyric acid (GABA) and L-glutamate, which may contribute to its antidepressant effect. Hypericin may also prevent the replication of encapsulated viruses probably due to inhibition of the assembly and shedding of virus particles in infected cells. This agent also exerts potent phototoxic effects by triggering apoptotic signaling that results in formation of reactive oxygen species. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents C1907 - Drug, Natural Product D004791 - Enzyme Inhibitors Hypericin is a naturally occurring substance found in Hyperlcurn perforatum L. Hypericin is an inhibitor of PKC (protein kinase C), MAO (monoaminoxidase), dopamine-beta-hydroxylase, reverse transcriptase, telomerase and CYP (cytochrome P450). Hypericin shows antitumor, antiviral, antidepressive activities, and can induce apoptosis[1][2][3]. Hypericin is a naturally occurring substance found in Hyperlcurn perforatum L. Hypericin is an inhibitor of PKC (protein kinase C), MAO (monoaminoxidase), dopamine-beta-hydroxylase, reverse transcriptase, telomerase and CYP (cytochrome P450). Hypericin shows antitumor, antiviral, antidepressive activities, and can induce apoptosis[1][2][3].
3,3-di-O-methylellagic acid 4-(5-acetyl)-alpha-L-arabinofuranoside|3,3-Di-O-methylellagic acid 4-(5-acetyl)-??-L-arabinofuranoside
Thiamin triphosphate
3-Methylellagic acid 8-(2-acetylrhamnoside)
3-Methylellagic acid 8-(3-acetylrhamnoside)
3-Methylellagic acid 8-(4-acetylrhamnoside)
Gomphrenol 3-methylether 4'-glucuronide
dicyano-bis-(1,10-phenanthroline) iron(ii) dihydrate
1-bis(3-nitrophenyl)phosphoryl-3,5-bis(trifluoromethyl)benzene
4-(((4-CHLOROPHENYL)(4-(4-(TRIFLUOROMETHOXY)PHENYL)THIAZOL-2-YL)AMINO)METHYL)BENZOIC ACID
Phosphonium,[3-(benzoyloxy)propyl]triphenyl-, bromide (1:1)
4,5-bis(benzylsulfanyl)-2-(4,5-diethyl-1,3-dithiol-2-ylidene)-1,3-dithiole
(7-Methoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)triphenylphosphonium bromide
(4-ethoxycarbonylphenyl)methyl-triphenylphosphanium,bromide
2,2,2-[[2-[(2E)-3-[4-(Carboxymethoxy)phenyl]-1-oxo-2-propen-1-yl]-1,3,5-benzenetriyl]tris(oxy)]trisacetic acid
(R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C69145 - Mitogen-Activated Protein Kinase Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
1-(2-Carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
1,3,4,6,8,15-Hexahydroxy-10,13-dimethyl-dibenzo[a,o]perylene-7,16-dione
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(9-hydroxy-7-methoxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-6-yl)phenoxy]oxane-2-carboxylic acid
4-[4-(3,5-Dichlorophenyl)sulfonyl-1-piperazinyl]-2-thiophen-2-ylquinazoline
9-benzyl-2-butyl-1-(2-chlorophenyl)-9H-beta-carbolin-2-ium bromide
N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-[(3,4-dichlorophenyl)methyl]-2-[(2R,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
N-[(3,4-dichlorophenyl)methyl]-2-[(2R,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-[(3,4-dichlorophenyl)methyl]-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
N-[(3,4-dichlorophenyl)methyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
thiamine(1+) triphosphate(1-)
An ammonium betaine that is the conjugate base of thiamine(1+) triphosphate arising from the deptoronation of one of the hydroxy groups of the terminal phosphate group.
TAN-67 (dihydrobromide)
TAN-67 (SB-205607) dihydrobromide is a potent and selective nonpeptidic δ-opioid receptor agonist with a Ki value of 0.647 nM. TAN-67 dihydrobromide has neuroprotective effect. TAN-67 dihydrobromide can be used in research of ischemic stroke[1][2].
(2s,3r,4s,5r,6s)-6-({7,13-dihydroxy-14-methoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl}oxy)-4,5-dihydroxy-2-methyloxan-3-yl acetate
4-{3-bromo-2-[(2e)-but-2-en-2-yl]-4,6-dihydroxy-5-methylbenzoyloxy}-6-[(2e)-but-2-en-2-yl]-2-hydroxy-3-methylbenzoic acid
19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl acetate
3 , 3'-di-0-methylellagic acid
{"Ingredient_id": "HBIN007162","Ingredient_name": "3 , 3'-di-0-methylellagic acid","Alias": "3,3'-di-0-methyl ellagicacid","Ingredient_formula": "C23H20O13","Ingredient_Smile": "CC(=O)OCC1C(C(C(O1)OC2=C(C3=C4C(=C2)C(=O)OC5=C4C(=CC(=C5OC)O)C(=O)O3)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36872;42096","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,3'-di-o-methylellagicacid4-(5''-acetyl)-α-l-arabinofuranoside
{"Ingredient_id": "HBIN007194","Ingredient_name": "3,3'-di-o-methylellagicacid4-(5''-acetyl)-\u03b1-l-arabinofuranoside","Alias": "NA","Ingredient_formula": "C23H20O13","Ingredient_Smile": "CC(=O)OCC1C(C(C(O1)OC2=C(C3=C4C(=C2)C(=O)OC5=C4C(=CC(=C5OC)O)C(=O)O3)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6344","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-o-methylellagic acid 3'-o-alpha-2''-o-acetylrhamnopyranoside
{"Ingredient_id": "HBIN009345","Ingredient_name": "3-o-methylellagic acid 3'-o-alpha-2''-o-acetylrhamnopyranoside","Alias": "3-o-methylellagicacid3'-o-\u03b1-2''-o-acetylrhamnopyranoside","Ingredient_formula": "C23H20O13","Ingredient_Smile": "CC1C(C(C(C(O1)OC2=C(C=C3C4=C2OC(=O)C5=CC(=C(C(=C54)OC3=O)OC)O)O)OC(=O)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31599;14330","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-o-methylellagic acid 3'-o-alpha-3''-o-acetylrhamnopyranoside
{"Ingredient_id": "HBIN009346","Ingredient_name": "3-o-methylellagic acid 3'-o-alpha-3''-o-acetylrhamnopyranoside","Alias": "3-o-methylellagicacid3'-o-\u03b1-3''-o-acetylrhamnopyranoside","Ingredient_formula": "C23H20O13","Ingredient_Smile": "CC1C(C(C(C(O1)OC2=C(C=C3C4=C2OC(=O)C5=CC(=C(C(=C54)OC3=O)OC)O)O)O)OC(=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31600;14331","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-o-methylellagicacid3'-(4''-o-acetyl)-α-rhamnoside
{"Ingredient_id": "HBIN010780","Ingredient_name": "4-o-methylellagicacid3'-(4''-o-acetyl)-\u03b1-rhamnoside","Alias": "NA","Ingredient_formula": "C23H20O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14334","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}