Exact Mass: 548.2887
Exact Mass Matches: 548.2887
Found 500 metabolites which its exact mass value is equals to given mass value 548.2887
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cymarin
Cymarin is a cardenolide glycoside. Cymarin is a natural product found in Apocynum cannabinum, Adonis amurensis, and other organisms with data available. A cardiotonic cardiac glycoside found in STROPHANTHUS. The aglycone is STROPHANTHIN. C - Cardiovascular system > C01 - Cardiac therapy > C01A - Cardiac glycosides > C01AC - Strophanthus glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Antimycin A
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
Tamoxifen-N-glucuronide
Tamoxifen-N-glucuronide is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)
MPPa (Methyl pyropheophorbide-a)
Murabutide
Trh-gly-lys
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Murabutida
20-Hydroxyganoderic Acid G
Baccharinoid B 20
[7R(R)]-2-Deoxy-7-deoxo-4,16-dihydroxy-7-(1-hydroxyethyl)verrucarin A
[7R(R)]-7-Deoxo-16-hydroxy-7-(1-hydroxyethyl)verrucarin A
Myristinin A
[2R,7R(S),8R]-7-Deoxo-8-hydroxy-7-(1-hydroxyethyl)verrucarin A
8,9,10,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
Deacetyltanghinin
A cardenolide glycoside that is the deacetyl derivative of tanghinin. Isolated from Cerbera manghas, it exhibits cytotoxic activities against oral human epidermoid carcinoma (KB), human breast cancer cell (BC) and human small cells lung cancer.
3,12-O-diacetyl-7-O-(2-methylbutanoyl)-8-O-methylingol
Euphorbia factor L7a
Euphorbia factor L7a, a diterpenoid compound, can be isolated from the seeds of Euphorbia lathyris[1].
(32S,6S)-31-(N,N-dimethyl-L-phenylalanyl)-6-isobutyl-14-methoxy-(32rH,33tH)-2-oxa-5,8-diaza-1(1,4)-benzena-3(3,2)-pyrrolidina-cyclodecaphan-9c-ene-4,7-dione|Nummularin-C|nummularine-C
caseamembrin P|rel-(2S,5R,6S,7R,8S,9S,10R,18S,19R)-2,18-dibutanoyloxy-19-acetoxy-18,19-epoxy-6,7-dihydroxy-cleroda-3,13(16),14-triene
3-O-(2,6-Dideoxy-beta-D-xylo-hexopyranoside)-3,5,11,14-Tetrahydroxy-19-oxocarda-6,20(22)-dienolide
7,12-O-diacetyl-3-O-(2-methylbutanoyl)-8-O-methylingol
3-Angeloyl,8-(2-methylbutanoyl),14,15-di-Ac-(3beta,8beta,9beta)-14,15-Epoxy-4-isocedrene-3,8,9,14,15-pentol
3-(hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide
3beta-alpha-L-Acofriopyranosyloxy-1beta,14-dihydroxy-14beta-carda-4,20(22)-dienolid|3beta-alpha-L-acofriopyranosyloxy-1beta,14-dihydroxy-14beta-carda-4,20(22)-dienolide
10,11-epoxy-1beta-hydroxy-2beta,4alpha,8-triangeloyloxybisabol-7(14)-ene
(3S,5S)-1,7-bis(3,4,5-trimethoxyphenyl)heptane-3,5-diyl diacetate|(3S,5S)-3,5-diacetoxy-1,7-bis(3,4,5-trimethoxyphenyl)heptane
(20S,22R,24S,25R)-3beta-acetylthio-5alpha,24alpha-dihydroxy-6alpha,7alpha-epoxy-1-oxowithan-26,22-olide|dioscorolide B
reevesioside C|strophanthidin-4,6-dideoxy-2-O-methyl-beta-D-allopyranoside
3-(3-formamido-2-hydroxybenzamido)-8-pentyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 2,3-dimethylbutanoate|antimycin A19
9alpha,10beta-diacetoxy-5alpha-cinnamoyloxy-3,11-cyclotaxa-4(20)-en-13-one
14-Hydroxy-3beta(O3-methyl-beta-D-fucopyranosyloxy)-11-oxo-5beta,14beta-card-20(22)-enolid|14-hydroxy-3beta(O3-methyl-beta-D-fucopyranosyloxy)-11-oxo-5beta,14beta-card-20(22)-enolide
(-)-14-hydroxy-3beta-(3-O-methyl-6-deoxy-alpha-L-glucopyranosyl)-11alpha,12alpha-epoxy-(5beta,14beta,17betaH)-card-20(22)-enolide|Anticancer Cardiac Glycoside PMV70P691-007
rel-(3aR,5aS,6S,7aR,7bS,11R,11aR,12aS,13aR)-11-[(2R,3R,5R,8S)-3,8-dimethyl-7-oxo-1,6-dioxaspiro[4.4]non-2-yl]-tetradecahydro-6,12a-dihydroxy-5,5,11-trimethyl-2H,9H-furo[3,2:2,3]furo[3,4:5,6]azuleno[1,2-b]pyran-2,9-dione|schintrilactone C
3,7-O-diacetyl-12-O-(2-methylbutanoyl)-8-O-methylingol
(3beta,5beta,16beta)-3-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide 16-formate|16-formate 3beta-digitoxosylgitoxigenin|3beta-(beta-D-ribo-2,6-dideoxy-hexopyranosyloxy)-16beta-formyloxy-14-hydroxy-5beta,14beta-card-20(22)-enolide|3beta-(beta-D-ribo-2,6-Didesoxy-hexopyranosyloxy)-16beta-formyloxy-14-hydroxy-5beta,14beta-card-20(22)-enolid|gitoxigenin 16beta-formate 3beta-digitoxoside
(11S)-6-acetyl-124-methoxy-13-oxa-1,6,10,21-tetraaza-12(1,3),14(1,4)-dibenzena-bicyclo[9.6.6]tricosaphan-15c-ene-17,22-dione|Chaenorhin|Chaenorhine|chaenorrhine|chenorhine|chenorrhine
Animicin A
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.578 D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 1.579 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.582
Antimycin A
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents A nine-membered bis-lactone having methyl substituents at the 2- and 6-positions, an n-hexyl substituent at the 8-position, an acyloxy substituent at the 7-position and an aroylamido substituent at the 3-position. It is produced by Streptomyces bacteria and has found commercial use as a fish poison.
1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one
C29H40O10_7aH,13aH-Cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-13a-carboxaldehyde, 1-(2,5-dihydro-5-oxo-3-furanyl)eicosahydro-1,3a,11,11a-tetrahydroxy-9,15a-dimethyl-, (1S,3aS,3bR,6aR,9R,11R,11aS,12aR,13aR,15aS)
C30H44O9_(3beta,5beta,8xi,9xi,17alpha)-3-[(6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide
1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one
Cys Ile Lys Trp
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Trp Cys Ile Lys
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peruvoside
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides C - Cardiovascular system > C01 - Cardiac therapy > C01A - Cardiac glycosides D002317 - Cardiovascular Agents
belfosdil
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates C93038 - Cation Channel Blocker
2-hydroxypropyl 2-methylprop-2-enoate,2-methylidenehexanoic acid,methyl 2-methylprop-2-enoate,prop-2-enoic acid,styrene
butyl prop-2-enoate,2-hydroxyethyl 2-methylprop-2-enoate,methyl 2-methylprop-2-enoate,2-methylprop-2-enoic acid,styrene
o,o-bis(4-tert-butylbenzoyl)-n,n-diallyl-l-tartardiamide
Murabutide
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D007155 - Immunologic Factors
Imazamethabenz
Herbicidal metabolite of imazamethabenz-methyl. Acetolactate synthase inhibitor
[(1R,3S,4R,4aR,5S,7R,8S,8aR)-8-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-5-acetyloxy-4a-(acetyloxymethyl)-3-hydroxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2-oxirane]-1-yl] (E)-2-methylbut-2-enoate
Citrinin
Citrinin is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Citrinin can be found in barley and common wheat, which makes citrinin a potential biomarker for the consumption of these food products. Citrinin is a mycotoxin which is often found in food. It is a secondary metabolite produced by fungi that contaminate long-stored food and it causes different toxic effects, like nephrotoxic, hepatotoxic and cytotoxic effects. Citrinin is mainly found in stored grains, but sometimes also in fruits and other plant products .
3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Tamoxifen-N-glucuronide
Tamoxifen-N-glucuronide is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)
[(2R,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
3-[(21S,22S)-16-ethenyl-11,26-diethyl-4-hydroxy-12,17,21-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
Butyl 2-[2-[2-(2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl)oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoate
3-methylbutanoic acid [(2R,6S,7R,8R)-3-[[(3-formamido-2-hydroxyphenyl)-oxomethyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] ester
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
(3S,6S,7R,8aR)-6-[3-(2-hydroxyethoxy)phenyl]-N-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[(5-phenyl-3-isoxazolyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
2,3-bis(acetyloxy)-4,14,15,15-tetramethyl-8-methylidene-13-oxotetracyclo[9.3.1.0¹,⁹.0⁴,⁹]pentadecan-7-yl 3-phenylprop-2-enoate
(6s)-6-[(1s,3ar,4s,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
8-(3,4-dihydroxybenzoyl)-10-(3,7-dimethylocta-2,6-dien-1-yl)-5,5-dimethyl-10-(3-methylbut-2-en-1-yl)-2,6-dioxatricyclo[5.4.0.0¹,³]undec-7-ene-9,11-dione
(5z)-5-[(2e,4e)-9-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-7-methylnona-2,4,6,8-tetraen-1-ylidene]-3-(2-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}ethenyl)furan-2-one
n-[2,6-dimethyl-8-(3-methylbutyl)-7-[(4-methylpentanoyl)oxy]-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
n-{7-hexyl-4,9-dimethyl-8-[(3-methylbutanoyl)oxy]-2,6-dioxo-1,5-dioxonan-3-yl}-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
{[(4e,8s,9s,10e,12s,13r,14s,16r)-3,13,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19,20-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22)-pentaen-9-yl]oxy}methanimidic acid
({10,11,15-trihydroxy-6,21-dimethoxy-2,4,10,19-tetramethyl-8-oxo-22-oxa-12-azatricyclo[11.8.2.0¹⁷,²³]tricosa-3,11,13,15,17(23)-pentaen-5-yl}oxy)methanimidic acid
4-[(1r,3s,5s,7s,10s,11r,14r,15r,18r)-7-{[(2r,3r,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-15-yl]-5h-furan-2-one
4-[(1s,2s,4r,5s,6s,9s,10r,13r,15s,18s)-15-{[(2r,3r,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9-hydroxy-5,18-dimethyl-3-oxapentacyclo[8.8.0.0²,⁴.0⁵,⁹.0¹³,¹⁸]octadecan-6-yl]-5h-furan-2-one
n-[(3s,4r,7r,8r,9s)-7-hexyl-4,9-dimethyl-8-{[(2s)-2-methylbutanoyl]oxy}-2,6-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
(1r,3r,5r,6ar,7r,8r,9s,10s,10ar)-1-(acetyloxy)-9-(butanoyloxy)-5,10-dihydroxy-7,8-dimethyl-7-[(2z)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-3-yl butanoate
5-[(1r,3as,3br,5ar,7s,9as,9bs,10r,11ar)-3a,10-dihydroxy-9a,11a-dimethyl-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthren-1-yl]pyran-2-one
anticancer cardiacglycoside pmv70p691-007
{"Ingredient_id": "HBIN016314","Ingredient_name": "anticancer cardiacglycoside pmv70p691-007","Alias": "NA","Ingredient_formula": "C30H44O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1389","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer cardiacglycoside pmv70p691-008
{"Ingredient_id": "HBIN016315","Ingredient_name": "anticancer cardiacglycoside pmv70p691-008","Alias": "NA","Ingredient_formula": "C30H44O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1390","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}