Exact Mass: 360.1395
Exact Mass Matches: 360.1395
Found 229 metabolites which its exact mass value is equals to given mass value 360.1395,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Nitrendipine
Nitrendipine is only found in individuals that have used or taken this drug. It is a calcium channel blocker with marked vasodilator action. It is an effective antihypertensive agent and differs from other calcium channel blockers in that it does not reduce glomerular filtration rate and is mildly natriuretic, rather than sodium retentive. [PubChem]By deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum, Nitrendipine inhibits the influx of extracellular calcium across the myocardial and vascular smooth muscle cell membranes The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload. C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents CONFIDENCE standard compound; INTERNAL_ID 8498 CONFIDENCE standard compound; INTERNAL_ID 2309 D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Deoxyloganic acid
8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1]. 8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1].
Valacyclovir hydrochloride
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Valacyclovir hydrochloride (Valaciclovir hydrochloride) is an orally active antiviral agent for herpes simplex, herpes zoster, and herpes B. Valacyclovir hydrochloride inhibits HSV-1 W (50=2.9 μg/ml). Valacyclovir hydrochloride is a proagent of Aciclovir (HY-17422) [1][2][3][4][5].
8-Epideoxyloganic acid
8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1]. 8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1].
2-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol 4'-glucoside
2-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol 4-glucoside is found in fruits. 2-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol 4-glucoside is a constituent of the roots of Phyllanthus emblica (emblic). Constituent of the roots of Phyllanthus emblica (emblic). 2-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol 4-glucoside is found in fruits.
2'-Methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4'-glucoside
Constituent of the fruit of Anethum graveolens (dill). 2-Methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4-glucoside is found in dill. 2-Methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4-glucoside is a constituent of the fruit of Anethum graveolens (dill).
1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside
1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside is found in herbs and spices. 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside is a constituent of fennel (Foeniculum vulgare) Constituent of fennel (Foeniculum vulgare). 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside is found in herbs and spices.
1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside
1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside is found in herbs and spices. 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside is a constituent of fennel (Foeniculum vulgare) Constituent of fennel (Foeniculum vulgare). 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside is found in herbs and spices.
Dityrosine
Dityrosine is a fluorescent molecule formed as a result of normal posttranslational processing. In many structural proteins, dityrosine confers resistance to proteolysis and physicochemical trauma as a stabilizing crosslink. Dityrosine has also been found in oxidative/nitrative stress under a variety of conditions and biological systems. In this regard, it has been used as an important biomarker for oxidatively modified proteins during UV and gamma-irradiation, aging, and exposure to oxygen free radicals, nitrogen dioxide, peroxynitrite, and lipid hydroperoxides. Renewed interest in dityrosine and other tyrosine oxidation products as clinical indicators of oxidative modification has driven the development of important techniques for the specific analysis and quantification of these molecules. The presence of elevated levels of dityrosine in mammalian tissue and urine samples has been measured by chromatographic separation followed by mass spectrometry GC-MS and HPLC-MS/MS. Increases in dityrosine levels have been associated with pathologies such as eye cataracts, atherosclerosis, acute inflammation, and Alzheimers disease. The continued development of, and increased accessibility to, improved mass spectrometric instrumentation will expand the capability, feasibility, and sensitivity with which specific biomarkers like dityrosine can be measured. (PMID: 17019703) [HMDB] Dityrosine is a fluorescent molecule formed as a result of normal posttranslational processing. In many structural proteins, dityrosine confers resistance to proteolysis and physicochemical trauma as a stabilizing crosslink. Dityrosine has also been found in oxidative/nitrative stress under a variety of conditions and biological systems. In this regard, it has been used as an important biomarker for oxidatively modified proteins during UV and gamma-irradiation, aging, and exposure to oxygen free radicals, nitrogen dioxide, peroxynitrite, and lipid hydroperoxides. Renewed interest in dityrosine and other tyrosine oxidation products as clinical indicators of oxidative modification has driven the development of important techniques for the specific analysis and quantification of these molecules. The presence of elevated levels of dityrosine in mammalian tissue and urine samples has been measured by chromatographic separation followed by mass spectrometry GC-MS and HPLC-MS/MS. Increases in dityrosine levels have been associated with pathologies such as eye cataracts, atherosclerosis, acute inflammation, and Alzheimers disease. The continued development of, and increased accessibility to, improved mass spectrometric instrumentation will expand the capability, feasibility, and sensitivity with which specific biomarkers like dityrosine can be measured. (PMID: 17019703).
2,2'-Bityrosine
Benzoporphyrin
Delmadinone
Eddha
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents
LL-dityrosine
5-O-Ethyl 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
Isodityrosine
Isodityrosine belongs to tyrosine and derivatives class of compounds. Those are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Isodityrosine is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Isodityrosine can be found in potato, which makes isodityrosine a potential biomarker for the consumption of this food product.
indole-3-acetyl-tryptophan
Indole-3-acetyl-tryptophan is also known as iaa-trp. Indole-3-acetyl-tryptophan is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-tryptophan can be found in a number of food items such as giant butterbur, cassava, skunk currant, and mulberry, which makes indole-3-acetyl-tryptophan a potential biomarker for the consumption of these food products.
Austradiol acetate
Epideoxyloganic acid
8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1]. 8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1].
(5RS,6RS)-5-[(beta-D-glucopyranosyloxy)methyl]-4,5,6,8-tetrahydro-6-methyl-1H,3H-pyrano[3,4-c]pyran-1-one|(5RS,6SR)-5-[(beta-D-glucopyranosyloxy)methyl]-4,5,6,8-tetrahydro-6-methyl-1H,3H-pyrano[3,4-c]pyran-1-one|swertiajaposide D|swertiajaposide E
semperoside|semperoside A|[2aS,4S,4aR,7R,7aS,7bS]-4-methyl-7-([2S,3R,4R,5R,6R]-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydropyran-2-yloxy)octahydro-2,6-dioxa-cyclopenta[cd]inden-1-one
3,4,5-trimethoxybenzyl alcohol-7-O-beta-D-glucopyranoside|3,4,5-trimethoxybenzyl beta-D-glucopyranoside|nikoenoside
(3S,4S,5R,7R)-5-(9-methylprop-8-enyl)-1,6-dioxabicyclo[3,2,0]heptan-2-one-7-(hydroxymethyl)-12-O-beta-D-glucopyranoside|aruncide C
n-butyl 3,4-dihydroxy-5-(hydroxymethyl)-4-O-[5-(hydroxymethyl)furan-2-yl]tetrahydrofuran-2-carboxylate
beta-D-glucopyranosyl 7-carboxy-2-methyl-2E,4E-octadienate
(S,S)-form---Isodityrosine|Dihydrochloride-S,S---Isodityrosine|Isodityrosine
junipediol A 2-O-beta-D-glucopyranoside|junipediol A 4-O-beta-D-glucopyranoside|Junipediol A 4-O-??-D-glucopyranoside
Deoxyloganic acid
Deoxyloganic acid is a glycoside and an iridoid monoterpenoid. 7-Methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid is a natural product found in Aria edulis and Incarvillea arguta with data available. Deoxyloganic acid is found in herbs and spices. Deoxyloganic acid is a constituent of Nepeta cataria (catnip). Constituent of Nepeta cataria (catnip). Deoxyloganic acid is found in tea and herbs and spices. 8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1]. 8-Epideoxyloganic acid (7-Deoxy-8-epiloganic acid), an iridoid glucoside, can be found in Incarvillea delavayi. 8-Epideoxyloganic acid exhibits weak antinociceptive activity[1].
nitrendipine
C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Nadifloxacin
D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AF - Antiinfectives for treatment of acne D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
C16H24O9_beta-D-Glucopyranoside, 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propyl
(2R,3R,4S,5S,6R)-2-[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid_major
(2R,3R,4S,5S,6R)-2-[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
Ala Ala Cys Pro
Ala Ala Pro Cys
Ala Cys Ala Pro
Ala Cys Pro Ala
Ala Pro Ala Cys
Ala Pro Cys Ala
Cys Ala Ala Pro
Cys Ala Pro Ala
Cys Pro Ala Ala
Gly Gly Met Pro
Gly Gly Asn Asn
Gly Gly Pro Met
Gly Met Gly Pro
Gly Met Pro Gly
Gly Asn Gly Asn
Gly Asn Asn Gly
Gly Pro Gly Met
Gly Pro Met Gly
Met Gly Gly Pro
Met Gly Pro Gly
Met Pro Gly Gly
Asn Gly Gly Asn
Asn Gly Asn Gly
Asn Asn Gly Gly
Pro Ala Ala Cys
Pro Ala Cys Ala
Pro Cys Ala Ala
Pro Gly Gly Met
Pro Gly Met Gly
Pro Met Gly Gly
1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside
1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside
2-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol 4'-glucoside
2'-Methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4'-glucoside
N-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YL)BENZENESULFONAMIDE
N-(5-ACETYL-2-METHYLPHENYL)-4-(PYRIDIN-2-YLMETHOXY)BENZAMIDE
L-Tyrosine, O-(5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl)-
17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins
Levonadifloxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D065093 - beta-Lactamase Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
(R)-nadifloxacin
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones D004791 - Enzyme Inhibitors
2-Amino-3-[4-[2-hydroxy-5-(2-amino-3-oxo-3-hydroxypropyl)phenoxy]phenyl]propionic acid
2,2'-Bityrosine
2-Amino-3-[(3-methoxyphenyl)hydrazinylidene]-5-phenyl-7-pyrazolo[1,5-a]pyrimidinone
3,4-dihydro-2H-quinolin-1-yl-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanone
4,5-Dimethoxy-2-[[(2-methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester
(1S)-N-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
3-O-ethyl 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
7-Deoxyloganic acid
A cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1 and 7 by beta-D-glucosyloxy and methyl groups respectively (the 1S,4aS,7S,7aR-diatereomer).
Ethyl 2-chloro-3-[4-(2-methyl-2-phenylpropoxy)phenyl]propanoate
2-(4-Hydroxy-3,5-dimethoxyphenyl)ethanol 4-glucoside
2-Methoxy-3-(2,4-dihydroxyphenyl)-1,2-propanediol 4-glucoside
TD52
TD52, an Erlotinib (HY-50896) derivative, is an orally active, potent cancerous inhibitor of protein phosphatase 2A (CIP2A) inhibitor. TD52 mediates the apoptotic effect in triple-negative breast cancer (TNBC) cells via regulating the CIP2A/PP2A/p-Akt signalling pathway. TD52 indirectly reduced CIP2A by disturbing Elk1 binding to the CIP2A promoter. TD52 has less p-EGFR inhibition and has potent anti-cancer activity[1]. TD52 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
(1r,4as,7s,7as)-4a-hydroxy-7-methyl-1-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carbaldehyde
3-(hydroxymethyl)-4-[(2e)-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-2-yl]-5,6-dihydropyran-2-one
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-hydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(1s,4as,5r,7s,7ar)-5-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carbaldehyde
(2s,3s,4r,5r,6s)-2-[(2r)-2-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2,3,4,5,6-pentahydroxyhexyl 2,4-dimethoxy-6-methylbenzoate
6-methyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3h,4h,5h,6h,8h-pyrano[3,4-c]pyran-1-one
(1r,4ar,7r,7ar)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carbaldehyde
(1s,4as,6s,7s,7as)-6-hydroxy-7-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carbaldehyde
(2s,4e)-4-[(2e)-2-{[2-(4-hydroxy-3-methoxyphenyl)ethyl]imino}ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
1'-(4-hydroxy-2-methoxyphenyl)propane-2',3-diol 4-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN001463","Ingredient_name": "1'-(4-hydroxy-2-methoxyphenyl)propane-2',3-diol 4-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O9","Ingredient_Smile": "COC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)CC(CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10432","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1- hydroxy- 7- hydroxymethyl- 1,4a,5,7a- tetrahydrocyclopenta［c］pyran- 4- carb Aldehyde
{"Ingredient_id": "HBIN002642","Ingredient_name": "1- hydroxy- 7- hydroxymethyl- 1,4a,5,7a- tetrahydrocyclopenta\uff3bc\uff3dpyran- 4- carb Aldehyde","Alias": "NA","Ingredient_formula": "C16H24O9","Ingredient_Smile": "CC1(CCC2C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "43007","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,6-dimethoxy-4-(2-hydroxyethyl)phenol1-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN004891","Ingredient_name": "2,6-dimethoxy-4-(2-hydroxyethyl)phenol1-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O9","Ingredient_Smile": "CC1CCC2(C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6238","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
