Exact Mass: 440.0499
Exact Mass Matches: 440.0499
Found 111 metabolites which its exact mass value is equals to given mass value 440.0499,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
ITOPA
Delafloxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)
3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside) is found in green vegetables. 3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside) is isolated from commercial rhubarb (Rheum species). Isolated from commercial rhubarb (Rheum subspecies). 3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside) is found in green vegetables.
Ceftezole
Delafloxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Binimetinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EE - Mitogen-activated protein kinase (mek) inhibitors 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
6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Amurensisin
Quercetagetin 6,3,4-trimethyl ether 3-O-sulfate
Tembotrione
CONFIDENCE standard compound; INTERNAL_ID 339; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4471; ORIGINAL_PRECURSOR_SCAN_NO 4470 CONFIDENCE standard compound; INTERNAL_ID 339; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4415; ORIGINAL_PRECURSOR_SCAN_NO 4410 CONFIDENCE standard compound; INTERNAL_ID 339; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4505; ORIGINAL_PRECURSOR_SCAN_NO 4504 CONFIDENCE standard compound; INTERNAL_ID 339; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4421; ORIGINAL_PRECURSOR_SCAN_NO 4419 CONFIDENCE standard compound; INTERNAL_ID 339; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4503; ORIGINAL_PRECURSOR_SCAN_NO 4501 CONFIDENCE standard compound; INTERNAL_ID 339; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4477; ORIGINAL_PRECURSOR_SCAN_NO 4476 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3177
(2R,3S,10S)-7,8,9,13-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-trans-3,4-cis-2,3,10-trihydrobenzopyrano<3,4-c>-2-benzopyran-1-one|(2R,3S,10S)-7,8,9,13-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-trans-3,4-cis-2,3,10-trihydrobenzopyrano[3,4-c]-2-benzopyran-1-one|(5鈥樎?Hydroxy-2R,3S,4S)-6-(3,4-Dihydroxyphenyl)-6alpha,12b-dihydro-3,10,11,12-tetrahydroxy[2]benzopyrano[3,4-c][1]benzopyran-8(6H)-one
3-O-(3,4-dihydroxy-trans-cinnamoyl)-4-O-malonyl-quinic acid
4-O-(E)-caffeoyl-5-O-malonylquinic acid|dihydroxy-5-carboxyacetoxy-4-[(E)-3-(3,4-dihydroxyphenyl)acryloyloxy]cyclohexanecarboxylic acid
3-O-malonyl-5-O-(E)-caffeoylquinic acid|dihydroxy-3-carboxyacetoxy-5-[(E)-3-(3,4-dihydroxyphenyl)acryloyloxy]cyclohexanecarboxylic acid
Methyl 2, 7-dichloropsoromate|methyl 2,7-dichloropsoromate
8,10-dichloro-3,9-dimethoxy-1,4,7-trimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester
SEW2871
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents > D000081243 - Sphingosine 1 Phosphate Receptor Modulators SEW2871 is an orally active, potent, highly selective S1P1 (sphingosine-1-phosphate type 1 receptor) agonist, with an EC50 of 13.8 nM. SEW2871 activates ERK, Akt, and Rac signaling pathways and induces S1P1 internalization and recycling. SEW2871 reduces lymphocyte numbers in blood. SEW2871 can be used for the research of diabetes, Alzheimer’s disease, liver fibrosis, and inflammatory responses[1][2].
CA 4P
Fosbretabulin Disodium is the disodium salt of a water-soluble phosphate derivative of a natural stilbenoid phenol derived from the African bush willow (Combretum caffrum) with potential vascular disrupting and antineoplastic activities. Upon administration, the prodrug fosbretabulin is dephosphorylated to its active metabolite, the microtubule-depolymerizing agent combretastatin A4, which binds to tubulin dimers and prevents microtubule polymerization, resulting in mitotic arrest and apoptosis in endothelial cells. In addition, this agent disrupts the engagement of the endothelial cell-specific junctional molecule vascular endothelial-cadherin (VE-cadherin) and so the activity of the VE-cadherin/beta-catenin/Akt signaling pathway, which may result in the inhibition of endothelial cell migration and capillary tube formation. As a result of fosbretabulins dual mechanism of action, the tumor vasculature collapses, resulting in reduced tumor blood flow and ischemic necrosis of tumor tissue. Fosbretabulin disodium (CA 4DP) is a tubulin destabilizing agent. Fosbretabulin disodium is the Combretastatin A4 proagent that selectively targets endothelial cells, induces regression of nascent tumour neovessels, reduces tumour blood flow and causes central tumour necrosis[1][3].
3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-b-D-glucopyranoside)
(2R)-2-Deoxy-2-fluoro-2-methyl-D-erythro-pentonic acid-g-lactone 3,5-bis(4-chlorobenzoate)
Benzonitrile, 4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-1-piperazinyl]-
Ceftezole
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-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
4-Methylumbelliferylb-D-galactopyranoside-6-sulphatesodiumsalt
(S)-2-[(4-nitro-phenoxy)-phenoxy-phosphorylamino]propionic acid isopropyl ester
N-(5-METHYLISOXAZOL-3-YL)-4-(3-(3-(TRIFLUOROMETHYL)PHENYL)UREIDO)BENZENESULFONAMIDE
(r)-(2-Chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyrimidin-2-yl)-4-methyl-1,4,6,7-tetrahydro-5h-[1,2,3]triazolo[4,5-c]pyridin-5-yl)methanone
2-Benzofurancarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
3-{2,6,8-Trioxo-9-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-YL}propyl dihydrogen phosphate
(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
3-{2,6,8-Trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-YL}propyl dihydrogen phosphate
3-{2,6,8-Trioxo-9-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-YL}propyl dihydrogen phosphate
3-{2,6,8-Trioxo-9-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-YL}propyl dihydrogen phosphate
Binimetinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EE - Mitogen-activated protein kinase (mek) inhibitors 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
Fosbretabulin disodium
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D000970 - Antineoplastic Agents Fosbretabulin disodium (CA 4DP) is a tubulin destabilizing agent. Fosbretabulin disodium is the Combretastatin A4 proagent that selectively targets endothelial cells, induces regression of nascent tumour neovessels, reduces tumour blood flow and causes central tumour necrosis[1][3].
3-[4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
4-Bromo-3-nitrobenzoic acid [2-[anilino(oxo)methyl]phenyl] ester
3-Chloro-2-thiophenecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
2-[6-[(5-Chloro-2-methoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid ethyl ester
3-chloro-N-[(2S,3R,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
3-chloro-N-[(2R,3R,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
3-chloro-N-[(2R,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
3-chloro-N-[(2S,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
3-chloro-N-[(2R,3S,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
[8-(2-hydroxy-1-sulooxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] (E)-2-methylbut-2-enoate
2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-(4-hydroxy-3-sulooxyphenyl)propanoic acid
(2-hydroxy-2-{9-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propoxy)sulfonic acid
(2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}-2-[(3-methylbut-2-enoyl)oxy]propoxy)sulfonic acid
8-oxo-dGDP(3-)
An organophosphate oxoanion arising from deprotonation of the three diphosphate OH groups of 8-oxo-dGDP; major species at pH 7.3.
3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)
GDP(3-)
A nucleoside 5-diphosphate(3-) obtained by deprotonation of the three diphosphate OH groups of guanosine 5-diphosphate (GMP); major species at pH 7.3.
(E/Z)-ZINC09659342
(E/Z)-ZINC09659342 is an inhibitor of Lbc-RhoA interaction[1].
methyl (4s,5e,7s)-14,14-dibromo-7-hydroxy-4-methoxytetradeca-5,13-dienoate
methyl 5,13-dichloro-15-formyl-14-hydroxy-6-methoxy-7,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-4-carboxylate
amurenisin
{"Ingredient_id": "HBIN015915","Ingredient_name": "amurenisin","Alias": "NA","Ingredient_formula": "C22H16O10","Ingredient_Smile": "C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C4C(=C3)C5=C(C(=C(C=C5C(=O)O4)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1090","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
