Exact Mass: 584.2457
Exact Mass Matches: 584.2457
Found 58 metabolites which its exact mass value is equals to given mass value 584.2457,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Sampatrilat
3-[(6-Amino-1-hydroxy-2-methanesulphonamidohexylidene)amino]-2-[(1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-C-hydroxycarbonimidoyl}cyclopentyl)methyl]propanoic acid
(+)-5,5-Dimethoxy-9-O-??-D-glucopyranosyl secoisolariciresinol
(+)-5,5-Dimethoxy-9-O-??-D-glucopyranosyl secoisolariciresinol
citrafungin A
citrafungin A
A carboxylic ester obtained by the formal condensation of 4-carboxy group of (2R)-2-hydroxy-2-{(3R,5R)-2-oxo-5-[(1E,5Z)-tetradeca-1,5-dien-1-yl]tetrahydrofuran-3-yl}butanedioic acid with the hydroxy group of 3-carboxy-2,3-dideoxy-L-threo-pentaric acid. It is a fungal metabolite that acts as an inhibitor of geranylgeranyltransferase type I(GGTase I) of pathogenic fungal species.
3,3,5,5-tetramethoxy-8,4-oxyneolignan-4,9,9-triol 4-beta-D-glucopyranoside|4-{3-hydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl}-2,6-dimethoxyphenyl beta-D-glucopyranoside
3,3,5,5-tetramethoxy-8,4-oxyneolignan-4,9,9-triol 4-beta-D-glucopyranoside|4-{3-hydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl}-2,6-dimethoxyphenyl beta-D-glucopyranoside
Gly His Trp Trp
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Gly Trp His Trp
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Gly Trp Trp His
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid
His Gly Trp Trp
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
His Trp Gly Trp
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-3-(1H-indol-3-yl)propanoic acid
His Trp Trp Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]acetic acid
Trp Gly His Trp
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Trp Gly Trp His
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid
Trp His Gly Trp
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-(1H-indol-3-yl)propanoic acid
Trp His Trp Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]acetic acid
Trp Trp Gly His
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-3-(1H-imidazol-4-yl)propanoic acid
Trp Trp His Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]acetic acid
Ajugamarin A1 Chlorohydrin
Ajugamarin A1 Chlorohydrin
A diterpene lactone isolated from the whole plants of Ajuga ciliata.
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(2r,3r,4s,5s,6r)-2-[(2s,3s)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-[(2s,3s)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-(acetyloxy)-8-chloro-3,17-dihydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-12-(propanoyloxy)-6-oxatricyclo[11.4.0.0³,⁷]heptadec-10-en-16-yl 2-methylpropanoate
2-(acetyloxy)-8-chloro-3,17-dihydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-12-(propanoyloxy)-6-oxatricyclo[11.4.0.0³,⁷]heptadec-10-en-16-yl 2-methylpropanoate
(1s,2r,3r,4r,7s,8z,11s,12r,13r,14s,16s,17r)-11,12,14-tris(acetyloxy)-3,4,16-trihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-2-yl acetate
(1s,2r,3r,4r,7s,8z,11s,12r,13r,14s,16s,17r)-11,12,14-tris(acetyloxy)-3,4,16-trihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-2-yl acetate
(+)-5,5'-dimethoxy-9-o-β-d-glucopyranosylsecoisolariciresinol
NA
{"Ingredient_id": "HBIN011074","Ingredient_name": "(+)-5,5'-dimethoxy-9-o-\u03b2-d-glucopyranosylsecoisolariciresinol","Alias": "NA","Ingredient_formula": "C28H40O13","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)CC(CO)C(CC2=CC(=C(C(=C2)OC)O)OC)COC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6230","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
11,12,14-tris(acetyloxy)-3,4,16-trihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-2-yl acetate
11,12,14-tris(acetyloxy)-3,4,16-trihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-2-yl acetate
(1s,2r,3r,4r,7r,8s,10z,12r,13s,16s,17s)-2-(acetyloxy)-8-chloro-3,17-dihydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-12-(propanoyloxy)-6-oxatricyclo[11.4.0.0³,⁷]heptadec-10-en-16-yl 2-methylpropanoate
(1s,2r,3r,4r,7r,8s,10z,12r,13s,16s,17s)-2-(acetyloxy)-8-chloro-3,17-dihydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-12-(propanoyloxy)-6-oxatricyclo[11.4.0.0³,⁷]heptadec-10-en-16-yl 2-methylpropanoate
(1s,2s,3s,4r,7s,8z,11s,12r,13r,14s,16s,17r)-11,12,14-tris(acetyloxy)-3,4,16-trihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-2-yl acetate
(1s,2s,3s,4r,7s,8z,11s,12r,13r,14s,16s,17r)-11,12,14-tris(acetyloxy)-3,4,16-trihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-2-yl acetate
(1s,2r,3r,4r,7r,8s,10e,12s,13s,16s,17s)-2-(acetyloxy)-8-chloro-3,17-dihydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-12-(propanoyloxy)-6-oxatricyclo[11.4.0.0³,⁷]heptadec-10-en-16-yl butanoate
(1s,2r,3r,4r,7r,8s,10e,12s,13s,16s,17s)-2-(acetyloxy)-8-chloro-3,17-dihydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-12-(propanoyloxy)-6-oxatricyclo[11.4.0.0³,⁷]heptadec-10-en-16-yl butanoate
3-(4-methoxyphenyl)-1-[(9s)-1,6,7-trihydroxy-9-[(2s,3r)-4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl]propan-1-one
3-(4-methoxyphenyl)-1-[(9s)-1,6,7-trihydroxy-9-[(2s,3r)-4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl]propan-1-one
2-{4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-{4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-(4-{3-hydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl}-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-(4-{3-hydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl}-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-[(2r,3s)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-[(2r,3s)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{[(1s,6r)-4-[(1s,3ar,4s,6ar)-4-[(3r,4s)-4-hydroxy-3,5-dimethoxycyclohexa-1,5-dien-1-yl]-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxycyclohexa-2,4-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{[(1s,6r)-4-[(1s,3ar,4s,6ar)-4-[(3r,4s)-4-hydroxy-3,5-dimethoxycyclohexa-1,5-dien-1-yl]-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxycyclohexa-2,4-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4r,5r,6r)-2-butoxy-5-(3,4-dihydroxy-5-methoxyphenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-(hydroxymethyl)-4-(methoxymethyl)oxane-3,4,5-triol
(2r,3r,4r,5r,6r)-2-butoxy-5-(3,4-dihydroxy-5-methoxyphenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-(hydroxymethyl)-4-(methoxymethyl)oxane-3,4,5-triol
17-benzyl-14-(1-hydroxyethyl)-20-methyl-4-(sec-butyl)-19-oxa-6-thia-3,10,13,16,21,22-hexaazatricyclo[16.2.1.1⁵,⁸]docosa-2,5(22),7,9,12,15,18(21)-heptaene-2,9,12,15-tetrol
17-benzyl-14-(1-hydroxyethyl)-20-methyl-4-(sec-butyl)-19-oxa-6-thia-3,10,13,16,21,22-hexaazatricyclo[16.2.1.1⁵,⁸]docosa-2,5(22),7,9,12,15,18(21)-heptaene-2,9,12,15-tetrol
(2s,3r,4s,5s,6r)-2-{4-[(2s)-3-hydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{4-[(2s)-3-hydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{4-[(2r,3s)-4-hydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-(hydroxymethyl)butyl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{4-[(2r,3s)-4-hydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-(hydroxymethyl)butyl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one
3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one
2-(4-{4-hydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-(hydroxymethyl)butyl}-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-(4-{4-hydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-(hydroxymethyl)butyl}-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-({4-[4-(4-hydroxy-3,5-dimethoxycyclohexa-1,5-dien-1-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxycyclohexa-2,4-dien-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-({4-[4-(4-hydroxy-3,5-dimethoxycyclohexa-1,5-dien-1-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxycyclohexa-2,4-dien-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
3-(4-methoxyphenyl)-1-[(9s)-1,6,7-trihydroxy-9-[(2r,3r)-4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl]propan-1-one
3-(4-methoxyphenyl)-1-[(9s)-1,6,7-trihydroxy-9-[(2r,3r)-4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl]propan-1-one
(4ar,5s,7r,8s,8ar)-5-(acetyloxy)-4a-[(acetyloxy)methyl]-4-(chloromethyl)-4-hydroxy-8-[(2r)-2-hydroxy-2-(5-oxo-2h-furan-3-yl)ethyl]-7,8-dimethyl-hexahydro-1h-naphthalen-1-yl (2e)-2-methylbut-2-enoate
(4ar,5s,7r,8s,8ar)-5-(acetyloxy)-4a-[(acetyloxy)methyl]-4-(chloromethyl)-4-hydroxy-8-[(2r)-2-hydroxy-2-(5-oxo-2h-furan-3-yl)ethyl]-7,8-dimethyl-hexahydro-1h-naphthalen-1-yl (2e)-2-methylbut-2-enoate
