Exact Mass: 512.2321
Exact Mass Matches: 512.2321
Found 500 metabolites which its exact mass value is equals to given mass value 512.2321
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside]
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] is found in fruits. Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] is isolated from Cape gooseberry (Physalis peruviana). Isolated from Cape gooseberry (Physalis peruviana). Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside] is found in fruits.
Almorexant
3-[18-(2-Carboxyethyl)-3,8,13,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid
(2R)-8-methylsocotrin-4-ol
Arisugacin D
An organic heterotetracyclic compound that is 4,4,6a,12b-tetramethyl-11-oxo-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-3-yl acetate substituted by hydroxy groups at positions 4a and 12a and by a 4-methoxyphenyl group at position 9 (the 3R,4aR,6aR,12aS,12bS steroisomer). Isolated from the culture broth of Penicillium, it acts as a selective inhibitor of acetylcholinesterase.
methyl 3beta-acetoxy-l-oxomeliac-14, 15-enoate|methyl-3beta-acetoxy-1-oxomelic-14(15)-enate
7alpha-acetoxy-11alpha-benzoyloxy-3alpha,8beta-dihydroxyisopimar-15-ene-2,14-dione|orthoarisin D
Asn His Lys Asp
Ser His Asn Arg
Ala Glu Phe Phe
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Glu Ala Phe Phe
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Glu Phe Ala Phe
Glu Phe Phe Ala
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Phe Ala Phe Glu
Phe Glu Ala Phe
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Phe Phe Glu Ala
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Gly His His Tyr
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His Gly His Tyr
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Ile Asp Glu His
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Ile Glu Asp His
Ile Glu His Asp
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Ile Met Ser Tyr
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Lys Asp His Asn
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Leu Asp Glu His
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Leu Glu His Asp
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Leu Met Ser Tyr
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Asn Asp His Lys
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Tyr Pro Ala Tyr
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Tyr Tyr Pro Ala
Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside]
3-O-(beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl) ethyl 3-hydroxyoctanoate
Almorexant
C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
butyl prop-2-enoate,N-(hydroxymethyl)prop-2-enamide,2-methylidenebutanedioic acid,2-methylidenebutanoic acid,prop-2-enenitrile
1-9-ethyl-6-2-methyl-4-(tetrahydro-2-furanyl)methoxybenzoyl-9h-carbazol-3-yl-1-(o-acetyloxime)ethanone
β- NPP , N, N-di(naphthalen-2-yl)-N,N-diphenylbenzene-1
2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
Cyclohexyl-{4-[5-(3,4-dichlorophenyl)-2-piperidin-4-YL-3-propyl-3H-imidazol-4-YL]-pyrimidin-2-YL}amine
[(10S,12S,13E,14R,16S,18R)-13-ethylidene-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
[(1E,3R,4R,6R,7Z,9Z)-3-(2-azaniumylethyl)-10-cyclohexyl-1-[(2S,3S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-3,6-dihydroxydeca-1,7,9-trien-4-yl] phosphate
de(cyclohexane-1-carbonyl-D-alanyl)-thiazinotrienomycin E
3-[18-(2-Carboxyethyl)-3,8,13,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid
S-decanoyl-4-phosphopantetheine
An S-acyl-4-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4-phosphate with the carboxy group of decanoic acid.
Methyl 2-[(1R,5R,6R,13S,14S,16S)-14-acetyloxy-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate
alpha-4-(3-deoxy-L-glycero-tetronoyl)amino-4,6-dideoxy-D-mannose-(1->2)-alpha-4-(3-deoxy-L-glycero-tetronoyl)-amino-4,6-dideoxy-D-mannose
An amino disaccharide consisting of two 4-amino-4,6-dideoxy-D-mannose residues joined by an alpha-(1->2)-linkage.
(2R)-2-[(4S,5S)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5R)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5S)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5R)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5S)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5R)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-(propan-2-ylcarbamoylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
(2S)-2-[(4S,5S)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5R)-8-(2-cyclopentylethynyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-(propan-2-ylcarbamoylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-(propan-2-ylcarbamoylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
N-[(2R,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2R,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
3-(4-fluorophenyl)-1-[[(2R,3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
(2R)-2-[(4S,5R)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methyl-1,1-dioxo-8-phenyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
N-[(2R,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2R,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
N-[(2R,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
N-[(2R,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
(2R)-2-[(4R,5R)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methyl-1,1-dioxo-8-phenyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
2,3,4-tri-O-methyl-alpha-L-fucosyl-(1->3)-alpha-L-rhamnosyl-(1->3)-2-O-methyl-alpha-L-rhamnose
(2s)-6-[(1r)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-2-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2h-1-benzopyran-7-ol
5',13',17',26'-tetramethyl-2',10',16',24',29'-pentaoxaspiro[oxirane-2,27'-pentacyclo[23.2.1.1¹⁵,¹⁸.0³,⁸.0⁸,²⁶]nonacosane]-4',12',19',21'-tetraene-11',23'-dione
(1'r,3r,3'r,3ar,7r,7'r,8as,9's,10'r)-12'-acetyl-10'-hydroxy-7,9'-dimethyl-4'-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3ah-6',14'-dioxaspiro[cyclohepta[b]furan-3,13'-tricyclo[8.4.0.0³,⁷]tetradecan]-11'-ene-2,5'-dione
methyl 2-[2-(acetyloxy)-13-(furan-3-yl)-4-(hydroxymethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-5,11-dien-9-yl]acetate
[(1s,4as,5s,7ar)-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl]methyl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate
(z,2z,4e)-n-[(1e)-3-[(8e)-10,17-dihydroxy-7,11-dimethyl-1,5-dioxo-4,7,10,13-tetrahydro-3h-2,6-benzodioxacyclopentadecin-3-yl]prop-1-en-1-yl]-4-(methoxyimino)but-2-enimidic acid
(1r,3r,8r,12e,14r,15r,17s,18s,19e,21z,25r,26s)-14-hydroxy-5,13,17,26-tetramethyl-27-methylidene-2,10,16,24,29-pentaoxapentacyclo[23.2.1.1¹⁵,¹⁸.0³,⁸.0⁸,²⁶]nonacosa-4,12,19,21-tetraene-11,23-dione
(1s,4ar,5r,7as)-7-(hydroxymethyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-5-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate
(1s,3r,4as,6s,6ar,7s,10as,10bs)-1-(acetyloxy)-4a,6a,7,10b-tetramethyl-5',8-dioxo-octahydrospiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl benzoate
(1s,3s,4as,6s,6ar,7s,10as,10bs)-1-(acetyloxy)-4a,6a,7,10b-tetramethyl-5',8-dioxo-octahydrospiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl benzoate
(1s,2s,3ar,7s,11r,13as)-3a-(acetyloxy)-7,11-dihydroxy-2,5,8,8,12-pentamethyl-4,9-dioxo-1h,2h,3h,7h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
3-o-β-d-glucopyranosyl-(1→6)-β-d-glucopyra-noside of ethyl 3-hydroxyoctanoate
{"Ingredient_id": "HBIN009202","Ingredient_name": "3-o-\u03b2-d-glucopyranosyl-(1\u21926)-\u03b2-d-glucopyra-noside of ethyl 3-hydroxyoctanoate","Alias": "NA","Ingredient_formula": "C22H40O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8636","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
abamagenin
{"Ingredient_id": "HBIN014214","Ingredient_name": "abamagenin","Alias": "NA","Ingredient_formula": "C28H42Cl2O4","Ingredient_Smile": "CC1COC2(CC1C(Cl)Cl)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)O)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}