Exact Mass: 548.2572
Exact Mass Matches: 548.2572
Found 500 metabolites which its exact mass value is equals to given mass value 548.2572
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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)
Murabutide
Trh-gly-lys
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Murabutida
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
6R,7E,9R-megastigma-4,7-dien-3-one 9,13-di-O-beta-D-glucopyranoside
[2R,7R(S),8R]-7-Deoxo-8-hydroxy-7-(1-hydroxyethyl)verrucarin A
4,8-dihydroxy-3-methoxy-11-oxo-1,6-dipentyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid benzyl ester
(Ra)-3-phenylacrylic acid 7-hydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c]cycloocten-1-yl ester|neglschisandrin C
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
3-O-(2,6-Dideoxy-beta-D-xylo-hexopyranoside)-3,5,11,14-Tetrahydroxy-19-oxocarda-6,20(22)-dienolide
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
(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
(4beta,5beta,6alpha,18R,22R)-6-chloro-18,20-epoxy-18-ethoxy-4,5,22-trihydroxy-1-oxoergost-2,24-dien-26-oic acid gamma-lactone|withaphysalin U
6,9-dihydroxymegastigmasta-5,7-dien-3-one 9-O-beta-D-gentiobioside
3-(3-formamido-2-hydroxybenzamido)-8-pentyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 2,3-dimethylbutanoate|antimycin A19
(20S,22R)-15alpha-acetoxy-5alpha-chloro-6beta,14beta-dihydroxy-1-oxowitha-2,24-dienolide|(5alpha,6beta,14beta,15alpha,22R)-5-chloro-6,14-dihydroxy-1,26-dioxo-22,26-epoxyergosta-2,24-dien-15-yl acetate
bistratamide I
A homodetic cyclic peptide that consists of L-valine and L-threonine as the amino acid residues. It is isolated from Lissoclinum bistratum and exhibits antitumour activity against the human colon tumour cell line.
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
(22S,23R)-5alpha-chloro-12alpha,22-epoxy-12beta-ethoxy-6beta,17beta-dihydroxy-1-oxowitha-2,24-dien-26,23-olide|12-O-ethyljaborosalactone 42
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.
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)
Cys Asp Arg Arg
Cys Ile Gln Trp
Cys Ile Trp Gln
Cys Leu Gln Trp
Cys Leu Trp Gln
Cys Gln Ile Trp
Cys Gln Leu Trp
Cys Gln Trp Ile
Cys Gln Trp Leu
Cys Arg Asp Arg
Cys Arg Arg Asp
Cys Trp Ile Gln
Cys Trp Leu Gln
Cys Trp Gln Ile
Cys Trp Gln Leu
Asp Cys Arg Arg
Asp Lys Met Arg
Asp Lys Arg Met
Asp Lys Thr Trp
Asp Lys Trp Thr
Asp Met Lys Arg
Asp Met Arg Lys
Asp Arg Cys Arg
Asp Arg Lys Met
Asp Arg Met Lys
Asp Arg Arg Cys
Asp Thr Lys Trp
Asp Thr Trp Lys
Asp Trp Lys Thr
Asp Trp Thr Lys
Glu Lys Ser Trp
Glu Lys Trp Ser
Glu Ser Lys Trp
Glu Ser Trp Lys
Glu Trp Lys Ser
Glu Trp Ser Lys
Phe Phe His Val
Phe Phe Val His
Phe His Phe Val
Phe His Val Phe
Phe Val Phe His
Phe Val His Phe
Gly Met Arg Trp
Gly Met Trp Arg
Gly Arg Met Trp
Gly Arg Trp Met
Gly Trp Met Arg
Gly Trp Arg Met
His Phe Phe Val
His Phe Val Phe
His His Gln Gln
His Met Val Tyr
His Met Tyr Val
His Gln His Gln
His Gln Gln His
His Val Phe Phe
His Val Met Tyr
His Val Tyr Met
His Tyr Met Val
His Tyr Val Met
Ile Cys Gln Trp
Ile Cys Trp Gln
Ile Gln Cys Trp
Ile Gln Trp Cys
Ile Trp Cys Gln
Ile Trp Gln Cys
Lys Asp Met Arg
Lys Asp Arg Met
Lys Asp Thr Trp
Lys Asp Trp Thr
Lys Glu Ser Trp
Lys Glu Trp Ser
Lys Met Asp Arg
Lys Met Arg Asp
Lys Arg Asp Met
Lys Arg Met Asp
Lys Ser Glu Trp
Lys Ser Trp Glu
Lys Thr Asp Trp
Lys Thr Trp Asp
Lys Trp Asp Thr
Lys Trp Glu Ser
Lys Trp Ser Glu
Lys Trp Thr Asp
Leu Cys Gln Trp
Leu Cys Trp Gln
Leu Gln Cys Trp
Leu Gln Trp Cys
Leu Trp Cys Gln
Leu Trp Gln Cys
Met Asp Lys Arg
Met Asp Arg Lys
Met Gly Arg Trp
Met Gly Trp Arg
Met His Val Tyr
Met His Tyr Val
Met Lys Asp Arg
Met Lys Arg Asp
Met Asn Val Trp
Met Asn Trp Val
Met Arg Asp Lys
Met Arg Gly Trp
Met Arg Lys Asp
Met Arg Trp Gly
Met Val His Tyr
Met Val Asn Trp
Met Val Trp Asn
Met Val Tyr His
Met Trp Gly Arg
Met Trp Asn Val
Met Trp Arg Gly
Met Trp Val Asn
Met Tyr His Val
Met Tyr Val His
Asn Met Val Trp
Asn Met Trp Val
Asn Pro Arg Tyr
Asn Pro Tyr Arg
Asn Arg Pro Tyr
Asn Arg Tyr Pro
Asn Val Met Trp
Asn Val Trp Met
Asn Trp Met Val
Asn Trp Val Met
Asn Tyr Pro Arg
Asn Tyr Arg Pro
Pro Asn Arg Tyr
Pro Asn Tyr Arg
Pro Arg Asn Tyr
Pro Arg Tyr Asn
Pro Tyr Asn Arg
Pro Tyr Arg Asn
Gln Cys Ile Trp
Gln Cys Leu Trp
Gln Cys Trp Ile
Gln Cys Trp Leu
Gln His His Gln
Gln His Gln His
Gln Ile Cys Trp
Gln Ile Trp Cys
Gln Leu Cys Trp
Gln Leu Trp Cys
Gln Gln His His
Gln Trp Cys Ile
Gln Trp Cys Leu
Gln Trp Ile Cys
Gln Trp Leu Cys
Arg Cys Asp Arg
Arg Cys Arg Asp
Arg Asp Cys Arg
Arg Asp Lys Met
Arg Asp Met Lys
Arg Asp Arg Cys
Arg Gly Met Trp
Arg Gly Trp Met
Arg Lys Asp Met
Arg Lys Met Asp
Arg Met Asp Lys
Arg Met Gly Trp
Arg Met Lys Asp
Arg Met Trp Gly
Arg Asn Pro Tyr
Arg Asn Tyr Pro
Arg Pro Asn Tyr
Arg Pro Tyr Asn
Arg Arg Cys Asp
Arg Arg Asp Cys
Arg Ser Thr Trp
Arg Ser Trp Thr
Arg Thr Ser Trp
Arg Thr Trp Ser
Arg Trp Gly Met
Arg Trp Met Gly
Arg Trp Ser Thr
Arg Trp Thr Ser
Arg Tyr Asn Pro
Arg Tyr Pro Asn
Ser Glu Lys Trp
Ser Glu Trp Lys
Ser Lys Glu Trp
Ser Lys Trp Glu
Ser Arg Thr Trp
Ser Arg Trp Thr
Ser Thr Arg Trp
Ser Thr Trp Arg
Ser Trp Glu Lys
Ser Trp Lys Glu
Ser Trp Arg Thr
Ser Trp Thr Arg
Thr Asp Lys Trp
Thr Asp Trp Lys
Thr Lys Asp Trp
Thr Lys Trp Asp
Thr Arg Ser Trp
Thr Arg Trp Ser
Thr Ser Arg Trp
Thr Ser Trp Arg
Thr Trp Asp Lys
Thr Trp Lys Asp
Thr Trp Arg Ser
Thr Trp Ser Arg
Val Phe Phe His
Val Phe His Phe
Val His Phe Phe
Val His Met Tyr
Val His Tyr Met
Val Met His Tyr
Val Met Asn Trp
Val Met Trp Asn
Val Met Tyr His
Val Asn Met Trp
Val Asn Trp Met
Val Trp Met Asn
Val Trp Asn Met
Val Tyr His Met
Val Tyr Met His
Trp Cys Ile Gln
Trp Cys Leu Gln
Trp Cys Gln Ile
Trp Cys Gln Leu
Trp Asp Lys Thr
Trp Asp Thr Lys
Trp Glu Lys Ser
Trp Glu Ser Lys
Trp Gly Met Arg
Trp Gly Arg Met
Trp Ile Cys Gln
Trp Ile Gln Cys
Trp Lys Asp Thr
Trp Lys Glu Ser
Trp Lys Ser Glu
Trp Lys Thr Asp
Trp Leu Cys Gln
Trp Leu Gln Cys
Trp Met Gly Arg
Trp Met Asn Val
Trp Met Arg Gly
Trp Met Val Asn
Trp Asn Met Val
Trp Asn Val Met
Trp Gln Cys Ile
Trp Gln Cys Leu
Trp Gln Ile Cys
Trp Gln Leu Cys
Trp Arg Gly Met
Trp Arg Met Gly
Trp Arg Ser Thr
Trp Arg Thr Ser
Trp Ser Glu Lys
Trp Ser Lys Glu
Trp Ser Arg Thr
Trp Ser Thr Arg
Trp Thr Asp Lys
Trp Thr Lys Asp
Trp Thr Arg Ser
Trp Thr Ser Arg
Trp Val Met Asn
Trp Val Asn Met
Tyr His Met Val
Tyr His Val Met
Tyr Met His Val
Tyr Met Val His
Tyr Asn Pro Arg
Tyr Asn Arg Pro
Tyr Pro Asn Arg
Tyr Pro Arg Asn
Tyr Arg Asn Pro
Tyr Arg Pro Asn
Tyr Val His Met
Tyr Val Met His
15alpha-acetoxy-5alpha-chloro-6beta,14beta,dihydroxy-1-oxo-witha2,24-dien-26,22-olide
3-[2-(3-hydroxyphenyl)ethyl]-4-[2-[6-(2-phenylethylamino)hexylamino]ethyl]benzene-1,2-diol,dihydrochloride
ICG-001
Murabutide
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D007155 - Immunologic Factors
Imazamethabenz
Herbicidal metabolite of imazamethabenz-methyl. Acetolactate synthase inhibitor
(6R,9aR)-6-[(4-hydroxyphenyl)methyl]-8-(1-naphthalenylmethyl)-4,7-dioxo-N-(phenylmethyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
[(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
Terbutaline sulfate
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents
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 .
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
(2S,3S,4S,5R)-6-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R)-4-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic 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
1-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea
N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
(2r,3'r,4'ar,5's,6'r,6'ar,10'ar,10'br)-5'-(acetyloxy)-6'a-[(acetyloxy)methyl]-4'a,10'b-dimethyl-5''-oxo-octahydrodispiro[oxirane-2,7'-naphtho[2,1-b]pyran-3',3''-oxolan]-6'-yl (2e)-2-methylbut-2-enoate
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
7-ethenyl-12-ethyl-21-hydroxy-6,11,27,28-tetramethyl-20-oxa-2,16,29,30-tetraazaheptacyclo[15.8.1.1³,²⁵.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²¹,²⁶]triaconta-1,3,5,7,9,11,13(29),14,17(26),18(28)-decaene-19,22-dione
({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
(1r,2r,3bs,9br,11ar)-1-acetyl-2,7-dihydroxy-3a,6,9b,11a-tetramethyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,11h-cyclopenta[a]phenanthren-10-one
(1s,3r,5s,7r,9r,10s,12r,14r,15s,18r,19r,20r,22s,23r)-9,10,20,22-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
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
(1'r,2r,2's,4'r,5's,6'r,7's,8's,11'r)-5'-[(2s,3ar,6as)-hexahydrofuro[2,3-b]furan-2-yl]-2',11'-bis(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-7'-yl (2e)-2-methylbut-2-enoate
artanomaloide
{"Ingredient_id": "HBIN016925","Ingredient_name": "artanomaloide","Alias": "NA","Ingredient_formula": "C32H36O8","Ingredient_Smile": "CC1=C2C(C3C(C(C1)OC(=O)C)C4(CC56C=CC4(C5C7C(CCC6(C)O)C(=C)C(=O)O7)C)C(=O)O3)C(=CC2=O)C","Ingredient_weight": "548.62","OB_score": "NA","CAS_id": "112823-41-3","SymMap_id": "NA","TCMID_id": "1781","TCMSP_id": "NA","TCM_ID_id": "6624","PubChem_id": "102005656","DrugBank_id": "NA"}