Exact Mass: 506.0985
Exact Mass Matches: 506.0985
Found 263 metabolites which its exact mass value is equals to given mass value 506.0985,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
bas 320i
streptonigrin
Nigrin b, also known as rufocromomycin or nigrin, is a member of the class of compounds known as bipyridines and oligopyridines. Bipyridines and oligopyridines are organic compounds containing two pyridine rings linked to each other. Nigrin b is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Nigrin b can be found in black elderberry, which makes nigrin b a potential biomarker for the consumption of this food product. rRNA N-glycosylase (EC 3.2.2.22, ribosomal ribonucleate N-glycosidase, nigrin b, RNA N-glycosidase, rRNA N-glycosidase, ricin, momorcochin-S, Mirabilis antiviral protein, gelonin, saporins) is an enzyme with systematic name rRNA N-glycohydrolase. This enzyme catalyses the following chemical reaction Hydrolysis of the N-glycosylic bond at A-4324 in 28S rRNA from eukaryotic ribosomes . C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic D000970 - Antineoplastic Agents
Cefditoren
Cefditoren is only found in individuals that have used or taken this drug. It is a third-generation cephalosporin antibiotic for oral use. It is commonly marketed under the trade name Spectracef by Cornerstone BioPharma.The bactericidal activity of cefditoren results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). Cefditoren is stable in the presence of a variety of b-lactamases, including penicillinases and some cephalosporinases. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DD - Third-generation cephalosporins 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 C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Quercetin 3-O-(6'-acetyl-glucoside)
Quercetin 3-O-(6-acetyl-glucoside) is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Tricin 7-glucuronoside
Tricin 7-glucuronoside is found in alfalfa. Tricin 7-glucuronoside is isolated from alfalfa (Medicago sativa). Isolated from alfalfa (Medicago sativa). Tricin 7-glucuronoside is found in alfalfa and pulses.
4'-O-Acetylmyricitrin
4-O-Acetylmyricitrin is found in fruits. 4-O-Acetylmyricitrin is a constituent of the leaves of Eugenia jambolana (jambolan). Constituent of the leaves of Eugenia jambolana (jambolan). Myricetin 3-(4-acetylrhamnoside) is found in fruits.
Protohypericin
Isolated from Hypericum perforatum (St. Johns Wort). Protohypericin is found in tea, alcoholic beverages, and herbs and spices. Protohypericin is found in alcoholic beverages. Protohypericin is isolated from Hypericum perforatum (St. Johns Wort).
Glyphoside
2-O-Acetylhyperin is found in alcoholic beverages. 2-O-Acetylhyperin is a constituent of Hypericum perforatum (St Johns wort). Isolated from leaves of Glycyrrhiza glabra (licorice). Glyphoside is found in tea and herbs and spices.
Isobiflorin 6'-gallate
Isobiflorin 6-gallate is found in herbs and spices. Isobiflorin 6-gallate is a constituent of Syzygium aromaticum (clove). Constituent of Syzygium aromaticum (clove). Isobiflorin 6-gallate is found in herbs and spices.
Caryatin glucoside
Caryatin glucoside is found in nuts. Caryatin glucoside is isolated from pecan nuts Carya pecan. Isolated from pecan nuts Carya pecan. 3,5-Dimethylquercetin glucoside is found in nuts.
Quercetin 3-(6'-acetylglucoside)
Quercetin 3-(6-acetylglucoside) is isolated from Pinus sylvestris (Scotch pine). Isolated from Pinus sylvestris (Scotch pine)
Dimethylellagic acid glucuronide
Metaflumizone
Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-
5-Amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(7-imino-6-methoxy-5,8-dioxoquinolin-2-yl)-3-methylpyridine-2-carboxylic acid
Protohypericin
Protohypericin is a natural product found in Polygala sellowiana, Hypericum perforatum, and Cortinarius austrovenetus with data available.
6-Hydroxyluteolin 6,7,3-trimethyl ether 4-glucoside
Okanin 4-methyl ether 4-(6-acetylglucoside)
Quercetin 3-(2-acetylgalactoside)
6-Methoxyluteolin 7-glucuronide methyl ester
5,8-Dihydroxy-6,7,4-trimethoxyflavone 8-glucoside
Lethedoside C
3,3,4-tri-O-Methylellagic acid 4-O-beta-D-glucopyranoside
Myricetin 3-(2-acetylrhamnoside)
Okanin 4-methyl ether 3-(6-acetylglucoside)
5,2,6-Trihydroxy-7,8-dimethoxyflavone 2-glucuronide
Nevadensin 5-glucoside
Nevadensin 7-glucoside
6-Hydroxytricetin 6,4,5-trimethyl eter 3-rhamnoside
Quercetin 7-(6-acetylglucoside)
6'-O-Acetylisoquercitrin
Acquisition and generation of the data is financially supported in part by CREST/JST.
3,4,-dihydro-6,8-dihydroxy-3-(2-acetyl-3-O-beta-D-glucopyranosyl-5-hydroxyphenyl)methyl-2(1H)-benzopyran-1-one
quercetagetin-7-O-(6-O-acetyl-beta-glucopyranoside)
1,2,3-Tri-Me ether,6-O-beta-D-glucopyranoside-2,3,6,8-Pentahydroxy-7-methylanthraquinone
2R-O-(4-O-beta-D-glucopyranosyl caffeoyl)-3-(4-hydroxyphenyl) lactic acid|4-O-beta-D-glucopyranosyl isorinic acid
3,3,4-trimethyl-4-O-beta-D-glucopyranosyl-ellagic acid
7-O-(Acetyl-beta-D-glucopyranoside)-3,4,5,6,7-Pentahydroxyflavone
7,8,4-trihydroxy-3,5-dimethoxy-6-methylflavonol-8-O-beta-D-glucopyranoside
5,7,3-trihydroxy-6,4-dimethoxyflavone 7-O-beta-D-galacturonopyranoside|demethoxycentaureidin 7-O-beta-D-galacturonopyranoside
3,5-dihydroxy-2-hydroxymethyl-7-methoxy-6-methylisoflavone 2-O-beta-D-glucopyranoside|3-[2-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-2-hydroxymethyl-7-methoxy-6-methyl-4H-1-benzopyran-4-one|boeravinone Q
floramanoside E|quercetin-3-O-(6??-acetyl)-beta-D-glucopyranoside
(-)-4-methoxy-7-O-(6-acetyl)-beta-D-glucopyranosyl-8,3-dihydroxyflavanone
pleioside B|tricin 7-methyl ether-5-O-beta-D-glucopyranoside
5,6,7,3,4-pentahydroxyflavone-7-O-(6-O-acetyl)-beta-D-glucopyranoside
O-(Tetra-O-acetyl-beta-D-glucopyranoside)-2-Hydroxy-5-methyl-4H-1-benzopyran-4-one
myricetin 3-O-(3-O-acetyl)-alpha-L-rhamnoside|myricetin-3-O-alpha-L-(acetyl)-rhamnopyranoside
1,8-di-O-(3-methoxy-4-hydroxybenzoyl)-3,6-dihydroxycyclooctane-2,7-endoperoxide
pleioside A|tricin 7-methyl ether-4-O-beta-D-glucopyranoside
4-[1,4-Dihydro-1,4-dioxo-3-(1-methoxy-1-methylethyl)naphthalene-2-yl]anthra[2,3-c]furan-1,3,5,10-tetrone
1,1-Bis(4,5-dihydroxy-2-methyl anthraquinone)|4,4,5,5-Tetrahydroxy-2,2-dimethyl-1,1-bianthrachinon|Siameanin
7-GlcA tricin
Tricin 7-O-glucuronide is a natural product found in Scutellaria discolor, Scutellaria indica, and other organisms with data available.
6-Acetylhyperin
6-Acetylhyperin is a natural product found in Nymphaea odorata with data available.
4-Methoxy-7-O-(6-acetyl)-??-D-glucopyranosyl-8,3-dihydroxyflavanone
3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Tricin 7-glucuronide
Quercetin 3- (3-acetylgalactoside)
Viscumneoside VI
A viscumneoside that is homoeriodictyol in which the hydroxy group at position 7 has been converted to the corresponding (6-O-acetyl)-beta-D-glucopyranoside. Found in Viscum coloratum, an evergreen hemiparasitic plant whose stems and leaves are used in traditional Chinese medicine for the treatment of rheumatism.
Quercetin 3-O-(6''-acetyl-glucoside)
Glyphoside
4''-O-Acetylmyricitrin
Isobiflorin 6''-gallate
6-Hydroxytricetin 6,4,5-trimethyl ether 3-rhamnoside
(S)-METHYL 2-AMINO-3-(3,5-DICHLORO-4-((2-PHENYLBENZO[D]OXAZOL-7-YL)METHOXY)PHENYL)PROPANOATE HYDROCHLORIDE
4-Methylumbelliferyl2,3,4,6-tetra-O-acetyl-a-D-mannopyranoside
4-CHLORO-1-(3,5-DI-O-TOLUOYL-BETA-D-2-DEOXYRIBOFURANOSYL)PYRAZOLO[3,4-D]PYRIMIDINE
2-Naphthalenecarboxylicacid,4-[(3-carboxy-4-hydroxy-1-naphthalenyl)phenylmethylene]-1,4-dihydro-1-oxo-,sodium salt (1:2)
Fupentixol dihydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants Flupentixol is an orally active D1/D2 dopamine receptor antagonist and new PI3K inhibitor (PI3Kα IC50=127 nM). Flupentixol shows anti-proliferative activity to cancer cells and induces apoptosis. Flupentixol can also be used in schizophrenia, anxiolytic and depressive research[1][2][3].
PF-431396
4-Methylumbelliferyl2,3,4,6-tetra-O-acetyl-a-D-glucopyranoside
(S)-3,3-Bis(4-chlorophenyl)-[1,1-binaphthalene]-2,2-diol
(R)-3,3-Bis(4-chlorophenyl)-[1,1-binaphthalene]-2,2-diol
Benzenamine, 4,4-[[2-(6-oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)-1,4-phenylene]bis(oxy)]bis-
Rovafovir etalafenamide
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
Linrodostat mesylate
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C308 - Immunotherapeutic Agent > C141144 - Immune Checkpoint Modulator C471 - Enzyme Inhibitor > C141137 - IDO1 Inhibitor C274 - Antineoplastic Agent
2-[[[[[5-[(4-Chloro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
3-(N-formyl-L-methionyl)-AMP
An L-methionine derivative that is the ester obtained by formal condensation of the carboxy group of N-formyl-L-methionine with the 3-hydroxy group of AMP.
N-(5-carbamoyl-2-methoxyphenyl)-3-(2,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
(2S,3S,4S,5R)-6-[4-[5-[(4-aminophenyl)sulfonylamino]pyrazol-1-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[8-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl acetate
bruneomycin
Complex cytotoxic antibiotic obtained from Streptomyces flocculus or S. rufochronmogenus. It is used in advanced carcinoma and causes leukopenia. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic D000970 - Antineoplastic Agents
Cefditoren
A broad spectrum, third-generation cephalosporin antibiotic with (Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. Generally administered as its orally absorbed pivaloyloxymethyl ester prodrug, it is used for the treatment of mild to moderate infections caused by susceptible strains of microorganisms in acute bacterial exacerbation of chronic bronchitis, community-acquired pneumonia, pharyngitis/tonsillitis, and uncomplicated skin and skin-structure infections. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DD - Third-generation cephalosporins 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 C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
(1s,2s,5s,6r,9s,10r)-2,5-dihydroxy-10-(4-hydroxy-3-methoxybenzoyloxy)-7,8-dioxabicyclo[4.2.2]decan-9-yl 4-hydroxy-3-methoxybenzoate
[(2r,3r,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
5-hydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trimethoxyphenyl)chromen-4-one
methyl (2e)-3-(3,4-dihydroxyphenyl)-2-{4-[(1e)-3-{[(1z)-2-(3,4-dihydroxyphenyl)ethenyl]oxy}-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}prop-2-enoate
6,7,14-trimethoxy-13-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
(2r,3r)-4-(acetyloxy)-2,3-bis(2,4-dihydroxy-6-methylbenzoyloxy)butyl acetate
methyl 3-(3,4-dihydroxyphenyl)-2-[4-(3-{[2-(3,4-dihydroxyphenyl)ethenyl]oxy}-3-oxoprop-1-en-1-yl)-2-hydroxyphenoxy]prop-2-enoate
(6-{[2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate
methyl (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{2-[(2s)-5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylate
3,4,5-trihydroxy-6-[3-hydroxy-2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid
[(2r,3s,4r,5r,6s)-6-(5,7-dihydroxy-2-methyl-4-oxochromen-8-yl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
1,1',8,8'-tetrahydroxy-3,6'-dimethyl-[2,2'-bianthracene]-9,9',10,10'-tetrone
7-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-5-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
3-(3,4-dimethoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5-hydroxy-7-methoxychromen-4-one
methyl 4,10'-dihydroxy-7-methoxy-5,8,9'-trioxo-3',4'-dihydro-3h-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-7'-carboxylate
2-(3,4-dimethoxyphenyl)-5-hydroxy-3-methoxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
2,12-bis(7-hydroxy-4-oxochromen-3-yl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one
21-methoxy-20-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12-oxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(13),2(11),4,6,8,14(19),15,17,20-nonaene-3,10-dione
2,2'-bis[(1,8-dihydroxy-3-methyl)anthraquinone]
{"Ingredient_id": "HBIN003685","Ingredient_name": "2,2'-bis[(1,8-dihydroxy-3-methyl)anthraquinone]","Alias": "NA","Ingredient_formula": "C30H18O8","Ingredient_Smile": "CC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O)C4=C(C=C5C(=C4O)C(=O)C6=C(C5=O)C=CC=C6O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2443","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,3',4-o-trimethyl-4'-o-β-d-glucopyranosyl-ellagicacid
{"Ingredient_id": "HBIN007129","Ingredient_name": "3,3',4-o-trimethyl-4'-o-\u03b2-d-glucopyranosyl-ellagicacid","Alias": "NA","Ingredient_formula": "C23H22O13","Ingredient_Smile": "COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)OC5C(C(C(C(O5)CO)O)O)O)C(=O)O2)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21945","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-[1,4-dihydro-3-(1-methoxy-1-methylethyl)-1,4-dioxo-2-naphthalenyl]anthra[2,3-c]furan-1,3,5,10-tetrone,9ci
{"Ingredient_id": "HBIN009813","Ingredient_name": "4-[1,4-dihydro-3-(1-methoxy-1-methylethyl)-1,4-dioxo-2-naphthalenyl]anthra[2,3-c]furan-1,3,5,10-tetrone,9ci","Alias": "NA","Ingredient_formula": "C30H18O8","Ingredient_Smile": "NA","Ingredient_weight": "506.46","OB_score": "NA","CAS_id": "273727-82-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7869","PubChem_id": "NA","DrugBank_id": "NA"}
4-o-galloylchlorogenic acid
{"Ingredient_id": "HBIN010769","Ingredient_name": "4-o-galloylchlorogenic acid ","Alias": "NA","Ingredient_formula": "C23H22O13","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O","Ingredient_weight": "506.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "20956","PubChem_id": "10929258","DrugBank_id": "NA"}
5-hydroxy-6,7,3'-trimethoxyflavone-8-o-β-d-glucoside
{"Ingredient_id": "HBIN011623","Ingredient_name": "5-hydroxy-6,7,3'-trimethoxyflavone-8-o-\u03b2-d-glucoside","Alias": "NA","Ingredient_formula": "C24H26O12","Ingredient_Smile": "COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC4C(C(C(C(O4)CO)O)O)O)OC)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10796","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
balsaminone B
{"Ingredient_id": "HBIN017566","Ingredient_name": "balsaminone B","Alias": "NA","Ingredient_formula": "C27H22O10","Ingredient_Smile": "COC1=C(C2=CC=CC=C2C3=C1C4=C(O3)C(=O)C5=CC=CC=C5C4=O)OC6C(C(C(C(O6)CO)O)O)O","Ingredient_weight": "506.5 g/mol","OB_score": "37.06636517","CAS_id": "NA","SymMap_id": "SMIT09859","TCMID_id": "NA","TCMSP_id": "MOL008597","TCM_ID_id": "NA","PubChem_id": "10815442","DrugBank_id": "NA"}
