Exact Mass: 590.3091
Exact Mass Matches: 590.3091
Found 35 metabolites which its exact mass value is equals to given mass value 590.3091,
within given mass tolerance error 0.0002 dalton. Try search metabolite list with more accurate mass tolerance error
4.0E-5 dalton.
Tanghinin
Tanghinin
A cardenolide glycoside that is tanghinigenin attached to a 2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl residue at position 3 via a glycosidc linkage. 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. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
2-[3-[(E)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid
2-[3-[(E)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid
caseamembrin Q|rel-(2S,5R,6S,7R,8S,9S,10R,18S,19R)-2,18-dibutanoyloxy-7,19-diacetoxy-18,19-epoxy-6,7-dihydroxy-cleroda-3,13(16),14-triene
caseamembrin Q|rel-(2S,5R,6S,7R,8S,9S,10R,18S,19R)-2,18-dibutanoyloxy-7,19-diacetoxy-18,19-epoxy-6,7-dihydroxy-cleroda-3,13(16),14-triene
methyl-ent-15alpha-acetoxy-1alpha-(2-methyl-2,3-epoxybutyryloxy)-7alpha-isobutyryloxy-9alpha-hydroxykaur-16-en-19-oate|methyl-ent-15alpha-acetoxy-1alpha-<2-methyl-2,3-epoxybutyryloxy>-7alpha-isobutyryloxy-9alpha-hydroxykaur-16-en-19-oate
methyl-ent-15alpha-acetoxy-1alpha-(2-methyl-2,3-epoxybutyryloxy)-7alpha-isobutyryloxy-9alpha-hydroxykaur-16-en-19-oate|methyl-ent-15alpha-acetoxy-1alpha-<2-methyl-2,3-epoxybutyryloxy>-7alpha-isobutyryloxy-9alpha-hydroxykaur-16-en-19-oate
C32H46O10_1H-Benz[e]indene-6,7-diacetic acid, 3-[(3E)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-2-hydroxy-alpha~7~,alpha~7~,3a,5a,9b-pentamethyl-5-oxo
NCGC00347719-02_C32H46O10_1H-Benz[e]indene-6,7-diacetic acid, 3-[(3E)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-2-hydroxy-alpha~7~,alpha~7~,3a,5a,9b-pentamethyl-5-oxo-
2-[3-[(E)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid_major
2-[3-[(E)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid_major
2-[3-[(E)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid_61.8\\%
2-[3-[(E)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid_61.8\\%
[(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nonyl-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] acetate
[(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nonyl-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] acetate
[(1R,2R,3R,4S,5R,6S,7S,9R,10S,11S,13S,14R,15S,23S,25R)-10,11-dihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-12-oxo-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-3-yl] acetate
[(1R,2R,3R,4S,5R,6S,7S,9R,10S,11S,13S,14R,15S,23S,25R)-10,11-dihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-12-oxo-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-3-yl] acetate
[(1R,2R,3R,4S,5R,6S,7S,9R,10S,11S,13S,14R,15R,23S,25R)-10,11-dihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-12-oxo-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-3-yl] acetate
[(1R,2R,3R,4S,5R,6S,7S,9R,10S,11S,13S,14R,15R,23S,25R)-10,11-dihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-12-oxo-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-3-yl] acetate
rel-1,2-Dihydro-5-hydroxy-9R-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10-oic acid
rel-1,2-Dihydro-5-hydroxy-9R-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10-oic acid
A natural product found in Pimelea elongata.
rel-1,2-Dihydro-5-hydroxy-9S-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10-oic acid
rel-1,2-Dihydro-5-hydroxy-9S-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10-oic acid
A natural product found in Pimelea elongata.
(2r,3s,4r,5s,6s)-5-hydroxy-2-{[(1r,3s,5s,7s,10s,11r,14r,15r,18r)-18-hydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate
(2r,3s,4r,5s,6s)-5-hydroxy-2-{[(1r,3s,5s,7s,10s,11r,14r,15r,18r)-18-hydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate
(1'r,2r,2'r,3'r,4's,5's,6'r,8'r,11'r)-2'-(acetyloxy)-5'-{2-[(3s)-2-hydroxyoxolan-3-yl]ethyl}-4',5'-dimethyl-11'-{[(2e)-2-methylbut-2-enoyl]oxy}-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-3'-yl (2e)-2-methylbut-2-enoate
(1'r,2r,2'r,3'r,4's,5's,6'r,8'r,11'r)-2'-(acetyloxy)-5'-{2-[(3s)-2-hydroxyoxolan-3-yl]ethyl}-4',5'-dimethyl-11'-{[(2e)-2-methylbut-2-enoyl]oxy}-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-3'-yl (2e)-2-methylbut-2-enoate
(1s,3s,4r,9r,12e,14s)-14-hydroxy-9-[(1r)-1-hydroxyethyl]-3-[(2s,5s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadec-12-ene-7,11-dione
(1s,3s,4r,9r,12e,14s)-14-hydroxy-9-[(1r)-1-hydroxyethyl]-3-[(2s,5s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadec-12-ene-7,11-dione
4-hydroxy-9-(1-hydroxyethyl)-15-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-2,2,4,14-tetramethyl-8,12,16-trioxatricyclo[11.3.1.0¹,⁶]heptadecane-5,7,11-trione
4-hydroxy-9-(1-hydroxyethyl)-15-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-2,2,4,14-tetramethyl-8,12,16-trioxatricyclo[11.3.1.0¹,⁶]heptadecane-5,7,11-trione
(2r,3r)-5-hydroxy-2-{[18-hydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate
(2r,3r)-5-hydroxy-2-{[18-hydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate
5-hydroxy-2-{[18-hydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate
5-hydroxy-2-{[18-hydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate
(1r,2s,4s,5r,8r,9s,10r,13r,15r)-15-(acetyloxy)-10-hydroxy-5-(methoxycarbonyl)-5,9-dimethyl-14-methylidene-2-[(2-methylpropanoyl)oxy]tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-8-yl (2s,3r)-2,3-dimethyloxirane-2-carboxylate
(1r,2s,4s,5r,8r,9s,10r,13r,15r)-15-(acetyloxy)-10-hydroxy-5-(methoxycarbonyl)-5,9-dimethyl-14-methylidene-2-[(2-methylpropanoyl)oxy]tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-8-yl (2s,3r)-2,3-dimethyloxirane-2-carboxylate
(1s,3r,4s,5s,9r,12z,14r)-14-hydroxy-9-[(1r)-1-hydroxyethyl]-3-[(2s,5s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadec-12-ene-7,11-dione
(1s,3r,4s,5s,9r,12z,14r)-14-hydroxy-9-[(1r)-1-hydroxyethyl]-3-[(2s,5s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadec-12-ene-7,11-dione
(1s,2s,4s,5r,7s,9s,10r,11s,12s,14s,15r,16r,19s)-10-(acetyloxy)-5-hydroxy-16-[(1s)-1-[(2r,4r,5r)-4-hydroxy-4,5-dimethyl-6-oxooxan-2-yl]ethyl]-11,15-dimethyl-3,8-dioxahexacyclo[10.7.0.0²,⁴.0⁵,¹¹.0⁷,⁹.0¹⁵,¹⁹]nonadecan-14-yl acetate
(1s,2s,4s,5r,7s,9s,10r,11s,12s,14s,15r,16r,19s)-10-(acetyloxy)-5-hydroxy-16-[(1s)-1-[(2r,4r,5r)-4-hydroxy-4,5-dimethyl-6-oxooxan-2-yl]ethyl]-11,15-dimethyl-3,8-dioxahexacyclo[10.7.0.0²,⁴.0⁵,¹¹.0⁷,⁹.0¹⁵,¹⁹]nonadecan-14-yl acetate
15-(acetyloxy)-10-hydroxy-5-(methoxycarbonyl)-5,9-dimethyl-14-methylidene-2-[(2-methylpropanoyl)oxy]tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-8-yl 2,3-dimethyloxirane-2-carboxylate
15-(acetyloxy)-10-hydroxy-5-(methoxycarbonyl)-5,9-dimethyl-14-methylidene-2-[(2-methylpropanoyl)oxy]tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-8-yl 2,3-dimethyloxirane-2-carboxylate
(2s,3r,4s,5s,6r)-5-hydroxy-2-{[(1s,2s,4r,5s,6r,9s,10r,13r,15s,18r)-9-hydroxy-5,18-dimethyl-6-(5-oxo-2h-furan-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0⁵,⁹.0¹³,¹⁸]octadecan-15-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate
(2s,3r,4s,5s,6r)-5-hydroxy-2-{[(1s,2s,4r,5s,6r,9s,10r,13r,15s,18r)-9-hydroxy-5,18-dimethyl-6-(5-oxo-2h-furan-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0⁵,⁹.0¹³,¹⁸]octadecan-15-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate
14-hydroxy-9-(1-hydroxyethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadec-12-ene-7,11-dione
14-hydroxy-9-(1-hydroxyethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadec-12-ene-7,11-dione
(1s,3r,4s,5s,9r,12z,14s)-14-hydroxy-9-[(1r)-1-hydroxyethyl]-3-[(2s,5s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadec-12-ene-7,11-dione
(1s,3r,4s,5s,9r,12z,14s)-14-hydroxy-9-[(1r)-1-hydroxyethyl]-3-[(2s,5s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadec-12-ene-7,11-dione
(1s,4r,6r,9r,13s,14s,15r)-4-hydroxy-9-[(1r)-1-hydroxyethyl]-15-[(2s,5s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-2,2,4,14-tetramethyl-8,12,16-trioxatricyclo[11.3.1.0¹,⁶]heptadecane-5,7,11-trione
(1s,4r,6r,9r,13s,14s,15r)-4-hydroxy-9-[(1r)-1-hydroxyethyl]-15-[(2s,5s)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-2,2,4,14-tetramethyl-8,12,16-trioxatricyclo[11.3.1.0¹,⁶]heptadecane-5,7,11-trione
(2s,5r)-5-hydroxy-2-{[(1r,3s,5s,7s,10s,14r,18r)-18-hydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate
(2s,5r)-5-hydroxy-2-{[(1r,3s,5s,7s,10s,14r,18r)-18-hydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate
10-(acetyloxy)-5-hydroxy-16-[1-(4-hydroxy-4,5-dimethyl-6-oxooxan-2-yl)ethyl]-11,15-dimethyl-3,8-dioxahexacyclo[10.7.0.0²,⁴.0⁵,¹¹.0⁷,⁹.0¹⁵,¹⁹]nonadecan-14-yl acetate
10-(acetyloxy)-5-hydroxy-16-[1-(4-hydroxy-4,5-dimethyl-6-oxooxan-2-yl)ethyl]-11,15-dimethyl-3,8-dioxahexacyclo[10.7.0.0²,⁴.0⁵,¹¹.0⁷,⁹.0¹⁵,¹⁹]nonadecan-14-yl acetate
