Exact Mass: 458.228
Exact Mass Matches: 458.228
Found 246 metabolites which its exact mass value is equals to given mass value 458.228
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
fumagillin
A meroterpenoid resulting from the formal condensation of the hydroxy group of fumagillol with the carboxylic acid group of (all-E)-deca-2,4,6,8-tetraenedioic acid. Originally isolated from the fungus Aspergillus fumigatus, it is used for the control of Nosema infection in honey bees. P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D006133 - Growth Substances > D006131 - Growth Inhibitors Fumagillin(NSC9168) is an antimicrobial compound first isolated in 1949 from the fungus Aspergillus fumigatu. Fumagillin can inhibits HIV‐1 infection through the inhibition of HIV-1 viral protein R (Vpr) activity.
Cinobufotalin
Cinobufotalin is a natural product found in Bufo and Bufo bufo with data available. Cinobufotalin is a bufadienolide isolated from toad venom and utilized in traditional Chinese medicine (TCM) for its cardiotonic, diuretic and hemostatic effects, with potential cytotoxic and antineoplastic activities. Upon administration and although the exact mechanism of action(s) (MoAs) through which this agent exerts its effects have yet to be fully discovered, cinobufotalin causes DNA fragmentation, decreases mitochondrial membrane potential (MMP), increases intracellular calcium (Ca2+) ion concentrations and reactive oxygen species (ROS) production, upregulates Fas protein and activates cytochrome C, various caspases, Bid and Bax. This causes cell cycle arrest, induces apoptosis and inhibits tumor cell growth and survival. In addition, cinobufotalin inhibits the activity of sphingosine kinase 1 (SphK1) and induces pro-apoptotic ceramide production, which further promotes tumor cell apoptosis. Cinobufotalin also induces mitochondrial protein cyclophilin D (Cyp-D)-dependent opening of the mitochondrial permeability transition pore (mPTP), which may contribute to cinobufotalin-induced non-apoptotic death of certain tumor cells. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002018 - Bufanolides Cinobufotalin is a cardiotonic steroids or bufadienolides, is extracted from the skin secretions of the giant toads. Cinobufotalin has been used as a cardiotonic, diuretic and a hemostatic agent, Cinobufotalin is also a potential anti-lung cancer agent[1].
3-Sulfodeoxycholic acid
Deoxycholic Acid/analogs and derivatives.
Hydroxystrobilurin D
Hydroxystrobilurin D is found in mushrooms. Hydroxystrobilurin D is isolated from Mycena sanguinolenta (blood mycena Isolated from Mycena sanguinolenta (blood mycena). Hydroxystrobilurin D is found in mushrooms.
fumagillin
Cinobufotalin
Cinobufotalin is a cardiotonic steroids or bufadienolides, is extracted from the skin secretions of the giant toads. Cinobufotalin has been used as a cardiotonic, diuretic and a hemostatic agent, Cinobufotalin is also a potential anti-lung cancer agent[1].
(E)-8-(2-(4-(Diphenylamino)benzylidene)hydrazinyl)-N-hydroxy-8-oxooctanamide
3alpha,11alpha-cyclotaxinine NN-2|3alpha,9alpha,10beta-triacetoxy-3alpha,11alpha-cyclotaxa-4(20),5-dien-13-one
6beta,9beta-diacetoxy-1alpha-benzoyloxydihydro-beta-agarofuran
berkeleyone B
A meroterpenoid found in Penicillium rubrum and has been shown to exhibit inhibitory activity against caspase-1.
berkeleyone C
A meroterpenoid found in Penicillium rubrum and has been shown to exhibit inhibitory activity against caspase-1.
Hydroxystrobilurin D
1alpha,8beta-diacetoxy-9beta-benzoyloxydihydro-beta-agarofuran
23-Methylauricepyron|23-Methylauricepyrone|Methylauricepyron
1alpha,15-diacetoxy-9beta-benzoyloxy-beta-dihydrofuran
C26H34O7_1,1,5a,7a,9,11b-Hexamethyl-7-methylene-3,8,11-trioxo-3,5a,5b,6,7,7a,8,9,11,11a,11b,12,13,13a-tetradecahydro-1H-isochromeno[7,8-g][2]benzoxepin-12-yl acetate
C26H34O7_8,12-Methanocycloocta[3,4]benz[1,2-c]oxepin-8(5H)-carboxylic acid, 3,5a,6,7,7a,9,10,11,12,13,13a,13b-dodecahydro-10-hydroxy-5,5,7a,10,12,13b-hexamethyl-14-methylene-3,9,11-trioxo-, methyl ester
2,7,7,11,15,17-hexamethyl-18-methylidene-5,13,16-trioxo-6,14-dioxatetracyclo[9.8.0.0²,⁸.0¹²,¹⁷]nonadec-3-en-10-yl acetate
2,7,7,11,15,17-hexamethyl-18-methylidene-5,13,16-trioxo-6,14-dioxatetracyclo[9.8.0.0²,⁸.0¹²,¹⁷]nonadec-3-en-10-yl acetate_major
2,7,7,11,15,17-hexamethyl-18-methylidene-5,13,16-trioxo-6,14-dioxatetracyclo[9.8.0.0²,?.0¹²,¹?]nonadec-3-en-10-yl acetate
Glu Ile Pro Thr
Glu Ile Thr Pro
Glu Leu Pro Thr
Glu Leu Thr Pro
Glu Pro Ile Thr
Glu Pro Leu Thr
Glu Pro Thr Ile
Glu Pro Thr Leu
Glu Thr Ile Pro
Glu Thr Leu Pro
Glu Thr Pro Ile
Glu Thr Pro Leu
Phe Gly His Val
Phe Gly Val His
Phe His Gly Val
Phe His Val Gly
Phe Val Gly His
Phe Val His Gly
Gly Phe His Val
Gly Phe Val His
Gly His Phe Val
Gly His Val Phe
Gly Val Phe His
Gly Val His Phe
His Phe Gly Val
His Phe Val Gly
His Gly Phe Val
His Gly Val Phe
His Val Phe Gly
His Val Gly Phe
Ile Glu Pro Thr
Ile Glu Thr Pro
Ile Pro Glu Thr
Ile Pro Thr Glu
Ile Thr Glu Pro
Ile Thr Pro Glu
Leu Glu Pro Thr
Leu Glu Thr Pro
Leu Pro Glu Thr
Leu Pro Thr Glu
Leu Thr Glu Pro
Leu Thr Pro Glu
Pro Glu Ile Thr
Pro Glu Leu Thr
Pro Glu Thr Ile
Pro Glu Thr Leu
Pro Ile Glu Thr
Pro Ile Thr Glu
Pro Leu Glu Thr
Pro Leu Thr Glu
Pro Thr Glu Ile
Pro Thr Glu Leu
Pro Thr Ile Glu
Pro Thr Leu Glu
Thr Glu Ile Pro
Thr Glu Leu Pro
Thr Glu Pro Ile
Thr Glu Pro Leu
Thr Ile Glu Pro
Thr Ile Pro Glu
Thr Leu Glu Pro
Thr Leu Pro Glu
Thr Pro Glu Ile
Thr Pro Glu Leu
Thr Pro Ile Glu
Thr Pro Leu Glu
Val Phe Gly His
Val Phe His Gly
Val Gly Phe His
Val Gly His Phe
Val His Phe Gly
Val His Gly Phe
17-trifluoromethylphenyl-13,14-dihydro trinor PGF2&alpha
5-[(1R)-1-Hydroxy-2-[[(1R)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]-8-(phenylmethoxy)-2(1H)-quinolinone
N-hydroxy-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors D000970 - Antineoplastic Agents
3-[(3-Aminomethyl-biphenyl-4-carbonyl)-amino]-2-(3-carbamimidoyl-benzyl)-butyric acid methyl ester
4-(4-Hydroxy-2-methoxy-6-pentylbenzoyl)oxy-2-methoxy-6-pentylbenzoic acid
[(1S,2R,3R,4S,5R)-5-azaniumyl-2-[(2S,3R,4R,5S,6R)-3-azaniumyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]azanium
Fumagilina
Fumagillin(NSC9168) is an antimicrobial compound first isolated in 1949 from the fungus Aspergillus fumigatu. Fumagillin can inhibits HIV‐1 infection through the inhibition of HIV-1 viral protein R (Vpr) activity.
Berkeleytrione
A meroterpenoid found in Penicillium rubrum and has been shown to exhibit inhibitory activity against caspase-1.
N-[[(2R,4S,5R)-5-[2-methyl-6-[4-(triluoromethyl)phenyl]pyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclobutanecarboxamide
1-(3-fluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3-fluorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3-fluorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3-fluorophenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3-fluorophenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-fluorophenyl)-3-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-fluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
(6R,7S,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
1-(3-fluorophenyl)-3-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3-fluorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-fluorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-fluorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-fluorophenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-fluorophenyl)-3-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-fluorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-fluorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
(6R,7R,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
6-hydroxy-6-(hydroxymethyl)-1,1,4a-trimethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-decahydronaphthalen-2-yl acetate
6,8a-dihydroxy-1,1,4a,6-tetramethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-decahydronaphthalen-2-yl acetate
6,7-dihydroxy-1,1,4a,6-tetramethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-decahydronaphthalen-2-yl acetate
methyl (2Z,3E,5Z)-6-[4,4-dimethyl-3-(3-methylbut-2-enoxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-3-(hydroxymethyl)-2-(methoxymethylidene)hexa-3,5-dienoate
(1r,2r,4s,7s,8s,11r,12r,13r,16r)-7-(furan-3-yl)-13-(methoxymethyl)-1,8,12,15,15-pentamethyl-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecane-5,18-dione
3-{[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)-5-(2-methylbutanoyl)phenyl]methyl}-6-ethyl-4-hydroxy-5-methylpyran-2-one
(1s,2r,5s,6s,7s,9r,12r)-7,12-bis(acetyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
methyl (2e,3z,5e)-6-(3-{[(2r)-3,3-dimethyloxiran-2-yl]methoxy}-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-7-yl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
(2z,6e)-2-[(3r)-3-chloro-4-methylpent-4-en-1-yl]-9-[(2r)-6-hydroxy-2,8-dimethylchromen-2-yl]-6-methylnona-2,6-dienoic acid
methyl 3-[7-hydroxy-11-methoxy-4,5a,9-trimethyl-1-oxo-8-(prop-1-en-2-yl)-3h,6h,7h,8h,9ah,10h-furo[3,4-b]xanthen-9-yl]propanoate
[(1r,4s,10s,11s,13s,15r)-11-(acetyloxy)-4-ethenyl-8,15-dihydroxy-4,10-dimethyl-7-oxotetracyclo[7.5.1.0¹,⁶.0¹³,¹⁵]pentadeca-5,8-dien-10-yl]methyl 2-methylpropanoate
12β-hydroxycinobufagin
{"Ingredient_id": "HBIN000753","Ingredient_name": "12\u03b2-hydroxycinobufagin","Alias": "NA","Ingredient_formula": "C26H34O7","Ingredient_Smile": "CC(=O)OC1C(C2(C(CC3C(C24C1O4)CCC5C3(CCC(C5)O)C)O)C)C6=COC(=O)C=C6","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9917","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1α,8β-diacetoxy-9β-benzoyloxydihydro-β-agarofuran
{"Ingredient_id": "HBIN002300","Ingredient_name": "1\u03b1,8\u03b2-diacetoxy-9\u03b2-benzoyloxydihydro-\u03b2-agarofuran","Alias": "NA","Ingredient_formula": "C26H34O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5285","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-o-methylichangensin
{"Ingredient_id": "HBIN002923","Ingredient_name": "1-o-methylichangensin","Alias": "NA","Ingredient_formula": "C26H34O7","Ingredient_Smile": "CC1(C2CC(=O)C3(C(C2(C(O1)(C)OC)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14516","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6α-hydroxycinobufagin
{"Ingredient_id": "HBIN012203","Ingredient_name": "6\u03b1-hydroxycinobufagin","Alias": "NA","Ingredient_formula": "C26H34O7","Ingredient_Smile": "CC(=O)OC1C(C2(CCC3C(C24C1O4)CC(C5C3(CCC(C5)O)C)O)C)C6=COC(=O)C=C6","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9916","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}