Exact Mass: 458.2029
Exact Mass Matches: 458.2029
Found 358 metabolites which its exact mass value is equals to given mass value 458.2029
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Austinol
Austinol is a metabolite of Emericella nidulans, Emericella dentata, Aspergillus variecolor and Aspergillus ustu Metabolite of Emericella nidulans, Emericella dentata, Aspergillus variecolor and Aspergillus ustus.
2-Hydroxy-desipramine glucuronide
2-Hydroxy-desipramine glucuronide is a metabolite of desipramine. Desipramine (also known as desmethylimipramine) is a tricyclic antidepressant (TCA). It inhibits the reuptake of norepinephrine and to a lesser extent serotonin. It is used to treat depression, but not considered a first line treatment since the introduction of SSRI antidepressants. Desipramine is an active metabolite of imipramine. It is sold under the brand names Norpramin and Pertofane. Along with other tricyclics, desipramine has found use in treating neuropathic pain. (Wikipedia)
2-Hydroxy-3-[(2-carboxyethyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists
Advantame
Avitriptan
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
Lexipafant
8,9-Dihydro,8-hydroxy-Exiguaflavanone D|exiguaflavanone M
3,4,5,7-tetrahydroxy-6-[7-hydroxy-3,7-dimethyl-2(E)-octenyl]flavanone
8beta-<5-(4-hydroxytigloyl)-4-hydroxytigloyloxy>-kauniolide|8beta-[5-(4-hydroxytigloyl)-4-hydroxytigloyloxy]-kauniolide
8beta-<5-<4,5-dihydroxytigloyloxy>-tigloyloxy>-kauniolide|8beta-[5-(4,5-dihydroxytigloyloxy)-tigloyloxy]-kauniolide
Ligustrin-<5-O-(4-hydroxytigloyl)-4-hydroxy>-sarracinate|Ligustrin-[5-O-(4-hydroxytigloyl)-4-hydroxy]-sarracinate
8beta-4-hydroxy-5-(tigloyloxy)-tigloyloxy-4beta,15-dihydro-3-dehydrozaluzanin C
desacetoxyzuubergenin-8beta-4-hydroxy-5-(5-hydroxysarracinoyl)-tiglate
5-Hydroxy-8-(4-methyl-3-pentenyl)-8-methyl-6-(2-methyl-1-oxopropyl)-4-phenyl-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one
(1alpha,4beta,8beta)-6-Chloro-1,4,8,15-tetrahydroxy-6-hirsuten-5-one|chloriolin B
8beta-5-(5-hydroxytigloyloxy)-tigloyloxy-3-dehydro-4beta,15-dihydro-zaluzanin C|8beta-5-<5-hydroxytigloyloxy>-tigloyloxy-3-dehydro-4beta,15-dihydro-zaluzanin C
1-[2,3-trans-3,4-dihydroxy-2-(1,4-dihydroxy-1,5-dimethylhex-5-enyl)-2,3-dihydrobenzofuran-5-yl]-3-(4-hydroxyphenyl)-E-propenone|xanthokeismin C
8beta,9alpha-diangeloyloxy-14-oic-acanthospermolide
8beta,9alpha-diangeloyloxy-15-hydroxy-14-oxo-4,5-cis-acanthospermolide
11-hydroxykopsilongine|N-carbomethoxy-11-hydroxy-12-methoxy-kopsininaline
Ligustrin-<4-hydroxy-5-(5-hydroxytigloyloxy)-tiglate>
Kadsurin
Kadsurin, (-)- is a tannin. It has a role as a metabolite. Kadsurin is a natural product found in Kadsura coccinea, Kadsura heteroclita, and other organisms with data available.
C25H30O8_3-Furancarboxylic acid, (3R,5S,5aS,6S,9aR)-octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5,6-diyl ester
Ala His Met Thr
Ala His Thr Met
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Cys His Ile Ser
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Cys Thr Val His
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Asp Asp Ile Pro
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Asp Asp Pro Ile
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Asp Ile Asp Pro
Asp Ile Pro Asp
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Asp Pro Asp Ile
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Asp Pro Glu Val
Asp Pro Ile Asp
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Asp Pro Val Glu
Asp Val Glu Pro
Asp Val Pro Glu
Glu Asp Pro Val
Glu Asp Val Pro
Glu Pro Asp Val
Glu Pro Val Asp
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Glu Val Pro Asp
His Ala Met Thr
His Ala Thr Met
His Cys Ile Ser
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His Cys Ser Ile
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His Ile Cys Ser
His Ile Ser Cys
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His Ser Ile Cys
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Ile Cys His Ser
Ile Cys Ser His
Ile Asp Asp Pro
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Ile His Cys Ser
Ile His Ser Cys
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Ile Ser Cys His
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Leu Cys His Ser
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Leu His Cys Ser
Leu His Ser Cys
Leu Pro Asp Asp
Leu Ser Cys His
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Asn Pro Gln Thr
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Pro Asn Gln Thr
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Pro Val Glu Asp
Gln Asn Pro Thr
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Gln Pro Gln Ser
Gln Pro Ser Gln
Gln Pro Thr Asn
Gln Gln Pro Ser
Gln Gln Ser Pro
Gln Ser Pro Gln
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Ser Cys His Ile
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Thr Thr His Thr
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Thr Val Cys His
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Val Cys Thr His
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Val His Cys Thr
Val His Thr Cys
Val Pro Asp Glu
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Val Thr Cys His
Val Thr His Cys
Austinol
A meroterpenoid produced by Aspergillus nidulans. It has a pentacyclic structure which incorporates three lactone functionalities and a spiro union.
(4R,5S)-2-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
4-((1H-INDAZOL-6-YL)AMINO)-6-METHOXY-7-(3-MORPHOLINOPROPOXY)QUINOLINE-3-CARBONITRILE
2-Ethoxy-1-[[2-[(hydroxyamino)iminomethyl][1,1-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic acid ethyl ester
3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-1-3-(1-methylethoxy)propyl-2-oxo-5-4-(phenylazo)phenylazo-
2-C-(2,3,4,6-Tetra-O-benzyl-a-D-glucopyranosyl) ethyne
2-(1-((2-(1H-tetrazol-5-yl)-[1,1-biphenyl]-4-yl)Methyl)-2-butyl-4-Methyl-6-oxo-1,6-dihydropyriMidin-5-yl)acetic acid
(1R,3R,5S,6R)-8-Methyl-3-[(3,4,5-trimethoxybenzoyl)oxy]-8-azabicy clo[3.2.1]oct-6-yl 1-methyl-1H-pyrrole-2-carboxylate
Ethyl 4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
(12R)-5-ethyl-12-(4-methoxyphenyl)-15,17-dimethyl-2,4,9,13-tetraoxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),14(18),15-triene-6,7,16-triol
2-Hydroxy-desipramine glucuronide
2-Hydroxy-desipramine glucuronide is a metabolite of desipramine. Desipramine (also known as desmethylimipramine) is a tricyclic antidepressant (TCA). It inhibits the reuptake of norepinephrine and to a lesser extent serotonin. It is used to treat depression, but not considered a first line treatment since the introduction of SSRI antidepressants. Desipramine is an active metabolite of imipramine. It is sold under the brand names Norpramin and Pertofane. Along with other tricyclics, desipramine has found use in treating neuropathic pain. (Wikipedia)
3-[(2-methoxyphenyl)methyl]-5-[1-[(4-methylphenyl)-oxomethyl]-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(3-pyridinylmethyl)urea
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(pyrazine-2-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(pyrazine-2-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
Avitriptan
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
FABPs ligand 6
FABPs ligand 6 (MF6) is an FABP5 and FABP7 inhibitor with KD values of 874 nM and 20 nM, respectively. FABPs ligand 6 can be used for multiple sclerosis research[1].
(1's,2s,3'r,4'r,10's,15'r)-3'-ethyl-12'-hydroxy-4'-methoxy-4-methyl-15'-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]-13'-oxa-9',11'-diazaspiro[furan-2,2'-tetracyclo[7.4.2.0¹,¹⁰.0⁴,¹⁰]pentadecane]-5',11'-dien-5-one
[(3ar,4s,6as,9ar,9br)-4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-3,6-dimethylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-9-yl]methyl (2z)-4-hydroxy-2-methylbut-2-enoate
7-hydroxy-9,14-dimethyl-8-[(2-methylbut-2-enoyl)oxy]-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-11-yl 2-methylbut-2-enoate
2-hydroxy-4-[2-hydroxy-4-methoxy-6-(2-oxononyl)benzoyloxy]-6-methylbenzoic acid
2,9,18-trimethyl (1r,9s,15s,16r,18r)-15-hydroxy-2,12-diazapentacyclo[14.2.2.0¹,⁹.0³,⁸.0¹²,¹⁶]icosa-3,5,7-triene-2,9,18-tricarboxylate
4a,8-dimethyl-9-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2,5-dioxo-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl 2-(hydroxymethyl)but-2-enoate
2,18-dimethyl (1s,9r,16s,17s,18r,21r)-17,18-dihydroxy-6-methoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-2,18-dicarboxylate
(2e)-3-{[(3ar,4r,6ar,9s,9ar,9br)-9-methyl-3,6-dimethylidene-2,8-dioxo-octahydroazuleno[4,5-b]furan-4-yl]oxy}-2-ethylidene-3-oxopropyl (2e)-2-(hydroxymethyl)but-2-enoate
5-hydroxy-8-methyl-8-(4-methylpent-3-en-1-yl)-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-f]chromen-2-one
n-[(11s,17s)-10-hydroxy-2,16-dioxo-1,9,15-triazapentacyclo[17.6.1.0³,⁸.0¹¹,¹⁵.0²⁰,²⁵]hexacosa-3,5,7,9,19(26),20,22,24-octaen-17-yl]-n-methylacetamide
3'-ethyl-12'-hydroxy-4'-methoxy-4-methyl-15'-(4-methyl-5-oxooxolan-2-yl)-13'-oxa-9',11'-diazaspiro[furan-2,2'-tetracyclo[7.4.2.0¹,¹⁰.0⁴,¹⁰]pentadecane]-5',11'-dien-5-one
(1r,2s,12s,14r,15r,17s)-2,6,6,11,14,17-hexamethyl-8,18,19-trioxo-7,16,20-trioxapentacyclo[13.3.3.0¹,¹⁵.0²,¹².0⁵,¹⁰]henicosa-4,10-diene-14-carboxylic acid
(8r)-5-hydroxy-8-methyl-8-(4-methylpent-3-en-1-yl)-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-f]chromen-2-one
(3ar,4s,6ar,8s,9ar,9br)-8-{[(2e)-4-hydroxy-2-methylbut-2-enoyl]oxy}-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl (2e)-4-hydroxy-2-methylbut-2-enoate
[(2s,3r,4r)-4-{[4-(acetyloxy)-3-methoxyphenyl]methyl}-2-(3,4-dimethoxyphenyl)oxolan-3-yl]methyl acetate
5-hydroxy-6-isobutyryl-8-methyl-8-(4-methyl-pent-3-enyl)-4-phenyl-2h-pyrano[2,3-h ]chro-men-2-one
{"Ingredient_id": "HBIN011628","Ingredient_name": "5-hydroxy-6-isobutyryl-8-methyl-8-(4-methyl-pent-3-enyl)-4-phenyl-2h-pyrano[2,3-h ]chro-men-2-one","Alias": "NA","Ingredient_formula": "C29H30O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10240","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}