Exact Mass: 528.1632
Exact Mass Matches: 528.1632
Found 30 metabolites which its exact mass value is equals to given mass value 528.1632,
within given mass tolerance error 0.0002 dalton. Try search metabolite list with more accurate mass tolerance error
4.0E-5 dalton.
Tremulacin
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(1-hydroxy-6-oxo-cyclohex-2-ene-1-carbonyl)oxymethyl]phenoxy]tetrahydropyran-3-yl] benzoate
Tremulacin is a glycoside. Tremulacin is a natural product found in Populus tremula, Populus tomentosa, and other organisms with data available.
(10S)-C-(5-O-acetyl-3-O-senecioyl)-beta-D-xylopyranosyl-1,8,10-trihydroxy-3-methyl-anthracen-9-one|alvaradoin J
(10S)-C-(5-O-acetyl-3-O-senecioyl)-beta-D-xylopyranosyl-1,8,10-trihydroxy-3-methyl-anthracen-9-one|alvaradoin J
(2S)-dihydrotricin 4-O-(erythro-beta-guaiacylglyceryl) ether|(2S)-dihydrotricin 4-O-(threo-beta-guaiacylglyceryl) ether|calquiquelignan A|calquiquelignan B
(2S)-dihydrotricin 4-O-(erythro-beta-guaiacylglyceryl) ether|(2S)-dihydrotricin 4-O-(threo-beta-guaiacylglyceryl) ether|calquiquelignan A|calquiquelignan B
Alvaradoin J
Alvaradoin J
A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10S stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.
Alvaradoin I
Alvaradoin I
A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10R stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.
LUT014
LUT014
LUT014 is a B-Raf inhibitor with an IC50 of 11.7 nM, and developed to reduce dose-limiting acneiform lesions associated EGFR Inhibitors treatment. Extracted from patent WO 2019026065A2 [1].
(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-(2-{[(1s)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-6-(hydroxymethyl)oxan-4-yl benzoate
(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-(2-{[(1s)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-6-(hydroxymethyl)oxan-4-yl benzoate
(3ar,4r,9r,9as)-9-(2h-1,3-benzodioxol-5-yl)-3a,9a-dihydroxy-6,7,8-trimethoxy-1-oxo-3h,4h,9h-naphtho[2,3-c]furan-4-yl (2e)-2-methylbut-2-enoate
(3ar,4r,9r,9as)-9-(2h-1,3-benzodioxol-5-yl)-3a,9a-dihydroxy-6,7,8-trimethoxy-1-oxo-3h,4h,9h-naphtho[2,3-c]furan-4-yl (2e)-2-methylbut-2-enoate
(2r,3r,4r,5r,6s)-2-(acetyloxy)-3,5-dihydroxy-6-[(9s)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate
(2r,3r,4r,5r,6s)-2-(acetyloxy)-3,5-dihydroxy-6-[(9s)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate
4-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-2,5-dihydroxy-9-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
4-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-2,5-dihydroxy-9-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-(2-{[(1s)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-6-(hydroxymethyl)oxan-3-yl benzoate
(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-(2-{[(1s)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-6-(hydroxymethyl)oxan-3-yl benzoate
5-(acetyloxy)-2-[4-(acetyloxy)phenyl]-3,6,7-trimethoxy-4-oxochromen-8-yl 2-methylbutanoate
5-(acetyloxy)-2-[4-(acetyloxy)phenyl]-3,6,7-trimethoxy-4-oxochromen-8-yl 2-methylbutanoate
3-acetyl-4a-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione
3-acetyl-4a-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione
3,6,8-trihydroxy-3-methyl-1-oxo-4h-2-benzopyran-4-yl (4e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-yl)-4-methylhex-4-enoate
3,6,8-trihydroxy-3-methyl-1-oxo-4h-2-benzopyran-4-yl (4e)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-yl)-4-methylhex-4-enoate
5-(acetyloxy)-2-[4-(acetyloxy)phenyl]-3,6,7-trimethoxy-4-oxochromen-8-yl (2r)-2-methylbutanoate
5-(acetyloxy)-2-[4-(acetyloxy)phenyl]-3,6,7-trimethoxy-4-oxochromen-8-yl (2r)-2-methylbutanoate
9-(2h-1,3-benzodioxol-5-yl)-3a,9a-dihydroxy-6,7,8-trimethoxy-1-oxo-3h,4h,9h-naphtho[2,3-c]furan-4-yl 2-methylbut-2-enoate
9-(2h-1,3-benzodioxol-5-yl)-3a,9a-dihydroxy-6,7,8-trimethoxy-1-oxo-3h,4h,9h-naphtho[2,3-c]furan-4-yl 2-methylbut-2-enoate
(3ar,4r,9r,9as)-9-(2h-1,3-benzodioxol-5-yl)-3a,9a-dihydroxy-6,7,8-trimethoxy-1-oxo-3h,4h,9h-naphtho[2,3-c]furan-4-yl (2z)-2-methylbut-2-enoate
(3ar,4r,9r,9as)-9-(2h-1,3-benzodioxol-5-yl)-3a,9a-dihydroxy-6,7,8-trimethoxy-1-oxo-3h,4h,9h-naphtho[2,3-c]furan-4-yl (2z)-2-methylbut-2-enoate
4,5-bis(acetyloxy)-2-[(4,5-dihydroxy-7-methyl-10-oxo-9h-anthracen-2-yl)oxy]-6-methyloxan-3-yl acetate
4,5-bis(acetyloxy)-2-[(4,5-dihydroxy-7-methyl-10-oxo-9h-anthracen-2-yl)oxy]-6-methyloxan-3-yl acetate
(2r,3s,4r,5s,6r)-3,5-dihydroxy-2-{2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-4-yl benzoate
(2r,3s,4r,5s,6r)-3,5-dihydroxy-2-{2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-4-yl benzoate
(2s,4r)-4-{[(2r,3s,4r,5r,6s)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-2,5-dihydroxy-9-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
(2s,4r)-4-{[(2r,3s,4r,5r,6s)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-2,5-dihydroxy-9-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
(2s,3r,4r,5s,6s)-4,5-bis(acetyloxy)-2-[(4,5-dihydroxy-7-methyl-10-oxo-9h-anthracen-2-yl)oxy]-6-methyloxan-3-yl acetate
(2s,3r,4r,5s,6s)-4,5-bis(acetyloxy)-2-[(4,5-dihydroxy-7-methyl-10-oxo-9h-anthracen-2-yl)oxy]-6-methyloxan-3-yl acetate
(2r,3r,4r,5r,6s)-2-(acetyloxy)-3,5-dihydroxy-6-[(9r)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate
(2r,3r,4r,5r,6s)-2-(acetyloxy)-3,5-dihydroxy-6-[(9r)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate
4,5-dihydroxy-2-{2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl benzoate
4,5-dihydroxy-2-{2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl benzoate
(1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione
(1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,6,7-trihydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione
2-(acetyloxy)-3,5-dihydroxy-6-(4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl)oxan-4-yl 3-methylbut-2-enoate
2-(acetyloxy)-3,5-dihydroxy-6-(4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl)oxan-4-yl 3-methylbut-2-enoate
