Exact Mass: 228.0938952
Exact Mass Matches: 228.0938952
Found 274 metabolites which its exact mass value is equals to given mass value 228.0938952,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Chrysene
Chrysene is a high molecular weight (HMW), polycyclic aromatic hydrocarbon (PAH) known for its recalcitrance and carcinogenic properties[1]. Chrysene is a high molecular weight (HMW), polycyclic aromatic hydrocarbon (PAH) known for its recalcitrance and carcinogenic properties[1].
(1R,10aS)-1,4,10,10a-Tetrahydrophenazine-1-carboxylate
Glyphosate-isopropylammonium
C6H17N2O5P (228.08750419999998)
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Chrysene
Chrysene appears as a crystalline solid. Denser than water and insoluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit spread to the environment. Toxic by ingestion. Used to make other chemicals. Chrysene is an ortho-fused polycyclic arene found commonly in the coal tar. It has a role as a plant metabolite. Chrysene is a natural product found in Camellia sinensis with data available. Chrysene is an aromatic hydrocarbon in coal tar, allied to naphthalene and anthracene. It is a white crystalline substance, C18H12, of strong blue fluorescence, but generally colored yellow by impurities. Chrysene is one of over 100 different polycyclic aromatic hydrocarbons (PAHs). PAHs are chemicals that are formed during the incomplete burning of organic substances, such as fossil fuels. They are usually found as a mixture containing two or more of these compounds. (L10) An ortho-fused polycyclic arene found commonly in the coal tar. Chrysene is a high molecular weight (HMW), polycyclic aromatic hydrocarbon (PAH) known for its recalcitrance and carcinogenic properties[1]. Chrysene is a high molecular weight (HMW), polycyclic aromatic hydrocarbon (PAH) known for its recalcitrance and carcinogenic properties[1].
Decitabine
C8H12N4O4 (228.08585119999998)
Decitabine is indicated for treatment of patients with myelodysplastic syndrome (MDS). It is a chemical analogue of cytidine, a nucleoside present in DNA and RNA. Cells in the presence of Decitabine incorporate it into DNA during replication and RNA during transcription. The incorporation of Decitabine into DNA or RNA inhibits methyltransferase thereby causing demethylation in that sequence. This adversely affects the way that cell regulatory proteins are able to bind to the DNA/RNA substrate. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C2083 - DNA Methyltransferase Inhibitor C274 - Antineoplastic Agent > C132686 - Demethylating Agent D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Decitabine (NSC 127716) is an orally active deoxycytidine analogue antimetabolite and a DNA methyltransferase inhibitor. Decitabine incorporates into DNA in place of cytosine can covalently trap DNA methyltransferase to DNA causing irreversible inhibition of the enzyme. Decitabine induces cell G2/M arrest and cell apoptosis. Decitabine has potent anticancer activity[1][2].
Propyl propane thiosulfonate
Propyl propane thiosulfonate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid
5-(Hexahydro-2-oxo-1H-thieno[3,4-D]imidazol-6-YL)pentanal
3-Hydroxyamino-4,6-dimethyldipyrido(1,2-a:3',2'-d)imidazole
C12H12N4O (228.10110619999998)
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Glycerol 1,2-dimethacrylate
1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-
C8H12N4O4 (228.08585119999998)
Loganetin
Loganetin is an iridoid monoterpenoid that is methyl (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate substituted at positions 1 and 6 by hydroxy groups and at postion 7 by a methyl group; the aglycone of loganin. It has a role as a plant metabolite and an antibacterial agent. It is a methyl ester, an iridoid monoterpenoid, a lactol, a cyclopentapyran, an enoate ester and a secondary alcohol. Loganetin is a natural product found in Scaevola floribunda, Calycophyllum spruceanum, and other organisms with data available. An iridoid monoterpenoid that is methyl (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate substituted at positions 1 and 6 by hydroxy groups and at postion 7 by a methyl group; the aglycone of loganin. Loganetin is a non-toxic natural product that may be applied in the antibacterial agent development for treating multidrug-resistant Gram negative infections.
Aaptamine
Aaptamine is a natural product found in Aaptos, Aaptos aaptos, and other organisms with data available.
Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid
(3-Chloro-adamantan-1-yl)-acetic acid
C12H17ClO2 (228.09170120000002)
Aspernigrin A
A member of the class of 4-pyridones that is 4-pyridone in which the hydrogens at positions 3 and 6 have been replaced by aminocarbonyl and benzyl groups, respectively. It has been isolated from the Cynodon dactylon-associated endophytic fungus Cladosporium herbarum IFB-E002 and from a sponge-derived Aspergillus niger.
(3S,4R,5R,7S,8S,9S)-8,11-epoxy-7-hydroxy-3-methoxydihyronepetalactone|jatamanin I
1-Hydroxy-6-isopropyl-3-[2-(methylthio)-ethyl]-2(1H)-pyazinone
(1R,4S,4aS,7aS)-4,7-Dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one|1beta-methoxygardendiol
(2E)-4-methoxy-2-(nitrosomethylidene)-6-phenyl-1H-pyridine
rel-(2S,3R)-3-(3-hydroxy-5-methoxyphenyl)-3-methoxypropane-1,2-diol
(2S)-4-(2,2-dimethyl-5-oxotetrahydrofuran-3-yl)-2-hydroxypent-3-anoic acid|dasycarpus acid
dihydro-3-hydroxy-4-(hydroxymethyl)-3-(1-hydroxy-hexa-2,4-dien-1-yl)-2(3H)-furanone
1-beta-Hydroxydihydrocornin aglycone/ 1alpha-Hydroxydihydrocornin aglycone
Ozagrel
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one
6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxypyran-2-one
6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one [IIN-based on: CCMSLIB00000845037]
6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one [IIN-based: Match]
Agmatine sulfate
Agmatine sulfate exerts modulatory action at multiple molecular targets, such as neurotransmitter systems, ion channels and nitric oxide synthesis. It is an endogenous agonist at imidazoline receptor and a NO synthase inhibitor.
Depdecin
A polyketide that is depudecin with a methyl hydrogen substituted with a hydroxy group.
Decitabine
C8H12N4O4 (228.08585119999998)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C2083 - DNA Methyltransferase Inhibitor C274 - Antineoplastic Agent > C132686 - Demethylating Agent D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Decitabine (NSC 127716) is an orally active deoxycytidine analogue antimetabolite and a DNA methyltransferase inhibitor. Decitabine incorporates into DNA in place of cytosine can covalently trap DNA methyltransferase to DNA causing irreversible inhibition of the enzyme. Decitabine induces cell G2/M arrest and cell apoptosis. Decitabine has potent anticancer activity[1][2].
5-Pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-6-methyl-4-(1-methylethyl)-2-thioxo-,methylester(9CI)
(4-(PHENOXYMETHYL)PHENYL)BORONIC ACID
C13H13BO3 (228.09576980000003)
2-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)pyridine
C11H11F3N2 (228.08742819999998)
3-(3-aminophenyl)-N,N-dimethylpropanamide(SALTDATA: 2HCl)
4-oxo-8-propan-2-yloxy-1H-quinoline-3-carbonitrile
Methyl 1-(1-Methoxy-1,3-dioxopropan-2-yl)cyclopentane-1-carboxyl
4-(aminomethyl)piperidineinformamidine dihydrochloride
2-[2-(2,4-difluorophenyl)-2-propen-1-yl]-1,3-propanediol
3,4,5-trimethoxyphenylacetic-2,2-d2 acid
C11H12D2O5 (228.09667375599997)
ethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
(4-Methoxy-[1,1-biphenyl]-4-yl)boronic acid
C13H13BO3 (228.09576980000003)
3-Pyridazinecarboxamide, 6-[(phenylmethyl)amino]
C12H12N4O (228.10110619999998)
Benzaldehyde, 3-(ethenyloxy)-4-(4-methyl-1H-imidazol-1-yl)
Tocainide hydrochloride
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
1-hydroxy-2-phenyl-6,7-dihydro-5H-benzimidazol-4-one
5-amino-1-(3-ethoxyphenyl)pyrazole-4-carbonitrile
C12H12N4O (228.10110619999998)
1-ethyl-2-methyl-5-(trifluoromethyl)-1H-benzimidazole
C11H11F3N2 (228.08742819999998)
1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
(4,5-DIPHENYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETICACID
C8H12N4O4 (228.08585119999998)
(3-METHOXY-[1,1-BIPHENYL]-4-YL)BORONIC ACID
C13H13BO3 (228.09576980000003)
2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethanol
C12H12N4O (228.10110619999998)
Thiobutabarbital
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
2-Amino-N,N-dimethyl-3-phenylpropanamidehydrochloride
4-[6-(TRIFLUOROMETHYL)PYRID-2-YL]-1,2,3,6-TETRAHYDROPYRIDINE
C11H11F3N2 (228.08742819999998)
N-(2,6-dimethylphenyl)-2-(methylamino)acetamide,hydrochloride
1-Benzyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole
C11H11F3N2 (228.08742819999998)
4-(1-Hydroxy-1-phenyl)methylphenylboronic acid
C13H13BO3 (228.09576980000003)
4-METHYL-2-PHENYL-5-PYRIMIDINECARBOHYDRAZIDE
C12H12N4O (228.10110619999998)
(3aR,5S,6S,6aR)-6-[[(3aR,5S,6S,6aR)-6-hydroxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1-cyclohexane]-5-yl]-hydroxymethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1-cyclohexane]-5-carbaldehyde
(E)-4-methoxy-2-phenylpyridine-6-carbaldehyde oxime
Fenpentadiol
C12H17ClO2 (228.09170120000002)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
C12H12N4O (228.10110619999998)
N-[(E)-(4-methylphenyl)methylideneamino]furan-2-carboxamide
(3S,8aS)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
(2S)-2-Amino-4-(methylsulfanyl)-1-pyridin-2-ylbutane-1,1-diol
5-(Hexahydro-2-oxo-1H-thieno[3,4-D]imidazol-6-YL)pentanal
methyl (2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate
3-(2,4-dimethyl-6-oxo-3H-pyran-2-yl)-2-hydroxy-2-methylpropanoic acid
N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
C12H12N4O (228.10110619999998)
(1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylic acid
A member of the class of phenazines that is 1,4,10,10a-tetrahydrophenazine substituted at position 1 by a carboxy group (the 1R,10aS-diastereomer).
(1R)-1,4,5,10-tetrahydrophenazine-1-carboxylic acid
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
C8H12N4O4 (228.08585119999998)
D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
caerulomycin K
A pyridine alkaloid that is 2-phenylpyridine substituted by a methoxy group at position 4 and a (E)-(hydroxyimino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
6-[(1r,3r)-1,3-dihydroxypentyl]-4-methoxypyran-2-one
5-[(1r,2s)-1,2-dihydroxybutyl]-4-methoxy-6-methylpyran-2-one
2,12-dimethoxy-7,11-diazatricyclo[6.4.1.0⁴,¹³]trideca-1,3,5,8(13),9,11-hexaene
4,6,7-trihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]decan-1-one
(2s)-3-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
(1r,4r,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one
{"Ingredient_id": "HBIN003123","Ingredient_name": "(1r,4r,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one","Alias": "NA","Ingredient_formula": "C11H16O5","Ingredient_Smile": "COC1C2C(CC=C2CO)C(C(=O)O1)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6037","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,4s,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one
{"Ingredient_id": "HBIN003135","Ingredient_name": "(1r,4s,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one","Alias": "NA","Ingredient_formula": "C11H16O5","Ingredient_Smile": "COC1C2C(CC=C2CO)C(C(=O)O1)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6038","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}