Exact Mass: 512.1368
Exact Mass Matches: 512.1368
Found 61 metabolites which its exact mass value is equals to given mass value 512.1368,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Tuberculatin
9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one
Diphyllin apioside is a natural product found in Justicia patentiflora, Garcinia subelliptica, and other organisms with data available.
(-)-tuberculatin|(?)-4-[(D-apio-beta-D-furanosyl)oxy]-9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1H-naphtho[2,3-c]furan-3-one|diphyllin apioside|diphyllin-1-O-beta-D-apiofuranoside|tuberculatin
(-)-tuberculatin|(?)-4-[(D-apio-beta-D-furanosyl)oxy]-9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1H-naphtho[2,3-c]furan-3-one|diphyllin apioside|diphyllin-1-O-beta-D-apiofuranoside|tuberculatin
3-methoxyumbilicaric acid|3-Methoxyumilicaric acid
3-methoxyumbilicaric acid|3-Methoxyumilicaric acid
Cys Glu Met Met
(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Cys Met Glu Met
(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Cys Met Met Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid
Glu Cys Met Met
(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid
Glu Met Cys Met
(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Glu Met Met Cys
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Met Cys Glu Met
(4S)-4-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Met Cys Met Glu
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid
Met Glu Cys Met
(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid
Met Glu Met Cys
(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Met Met Cys Glu
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]pentanedioic acid
Met Met Glu Cys
(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid
[(2R,5R)-3-acetyloxy-5-[[5-cyano-6-(4-methylphenyl)sulfanylpyridine-3-carbonyl]carbamoylamino]oxolan-2-yl]methyl acetate
[(2R,5R)-3-acetyloxy-5-[[5-cyano-6-(4-methylphenyl)sulfanylpyridine-3-carbonyl]carbamoylamino]oxolan-2-yl]methyl acetate
Benzoic acid, 3,5-dichloro-2,4-dihydroxy-6-pentyl-, 4-carboxy-3-methoxy-5-pentylphenyl ester
Benzoic acid, 3,5-dichloro-2,4-dihydroxy-6-pentyl-, 4-carboxy-3-methoxy-5-pentylphenyl ester
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide
bPiDDB
bPiDDB
bPiDDB is a potent nAChR antagonist. bPiDDB potently (IC50=2 nM) inhibits nicotine-evoked striatal dopamine (DA) release through an interaction with α6β2-containing nAChRs[1].
PLX7904
PLX7904
PLX7904 is a potent and selective BRAF inhibitor, with IC50 of appr 5 nM against BRAFV600E in mutant RAS expressing cells.
(2s,3s)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-9,12-dimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
(2s,3s)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-9,12-dimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
15-(acetyloxy)-6-chloro-9-hydroxy-2,11,15-trimethyl-7-methylidene-3,14-dioxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadec-12-en-17-yl 2-hydroxyacetate
15-(acetyloxy)-6-chloro-9-hydroxy-2,11,15-trimethyl-7-methylidene-3,14-dioxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadec-12-en-17-yl 2-hydroxyacetate
4-(2h-1,3-benzodioxol-5-yl)-9-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
4-(2h-1,3-benzodioxol-5-yl)-9-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
9-(2h-1,3-benzodioxol-5-yl)-4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
9-(2h-1,3-benzodioxol-5-yl)-4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
(2s,3s)-7-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-9,12-dimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
(2s,3s)-7-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-9,12-dimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
4-(2h-1,3-benzodioxol-5-yl)-9-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
4-(2h-1,3-benzodioxol-5-yl)-9-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
(2r,3r)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-9,12-dimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
(2r,3r)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-9,12-dimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
(1r,2r,5r,6s,9r,10s,11s,15s,16s,17r)-15-(acetyloxy)-6-chloro-9-hydroxy-2,11,15-trimethyl-7-methylidene-3,14-dioxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadec-12-en-17-yl 2-hydroxyacetate
(1r,2r,5r,6s,9r,10s,11s,15s,16s,17r)-15-(acetyloxy)-6-chloro-9-hydroxy-2,11,15-trimethyl-7-methylidene-3,14-dioxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadec-12-en-17-yl 2-hydroxyacetate
9-(2h-1,3-benzodioxol-5-yl)-7-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
9-(2h-1,3-benzodioxol-5-yl)-7-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
4-(3,5-dichloro-2,4-dihydroxy-6-pentylbenzoyloxy)-2-methoxy-6-pentylbenzoic acid
4-(3,5-dichloro-2,4-dihydroxy-6-pentylbenzoyloxy)-2-methoxy-6-pentylbenzoic acid
9-(2h-1,3-benzodioxol-5-yl)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
9-(2h-1,3-benzodioxol-5-yl)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
(1s,2r,5s,6r,9r,10r,11r,15s,16s,17r)-15-(acetyloxy)-6-chloro-9-hydroxy-2,11,15-trimethyl-7-methylidene-3,14-dioxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadec-12-en-17-yl 2-hydroxyacetate
(1s,2r,5s,6r,9r,10r,11r,15s,16s,17r)-15-(acetyloxy)-6-chloro-9-hydroxy-2,11,15-trimethyl-7-methylidene-3,14-dioxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadec-12-en-17-yl 2-hydroxyacetate
9-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3h-naphtho[2,3-c]furan-1-one
9-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3h-naphtho[2,3-c]furan-1-one
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-9,12-dimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-9,12-dimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
9-(2h-1,3-benzodioxol-5-yl)-7-methoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
9-(2h-1,3-benzodioxol-5-yl)-7-methoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
15-(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-3,9-dioxatetracyclo[12.4.0.0²,⁴.0⁸,¹²]octadec-17-en-13-yl 2-hydroxyacetate
15-(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-3,9-dioxatetracyclo[12.4.0.0²,⁴.0⁸,¹²]octadec-17-en-13-yl 2-hydroxyacetate
9-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-{[(2r,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
9-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-{[(2r,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
2-hydroxy-4-[2-hydroxy-4-(4-hydroxy-2,3-dimethoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy]-6-methylbenzoic acid
2-hydroxy-4-[2-hydroxy-4-(4-hydroxy-2,3-dimethoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy]-6-methylbenzoic acid
(1r,2r,3r,7s,8r,11r,12s,13s,14s,15s)-13-(acetyloxy)-7-chloro-12,15-dihydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-4,9-dioxatetracyclo[12.4.0.0³,⁵.0⁸,¹²]octadec-17-en-2-yl acetate
(1r,2r,3r,7s,8r,11r,12s,13s,14s,15s)-13-(acetyloxy)-7-chloro-12,15-dihydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-4,9-dioxatetracyclo[12.4.0.0³,⁵.0⁸,¹²]octadec-17-en-2-yl acetate
(1s,2r,4r,7s,8r,11r,12r,13s,14s,15s)-15-(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-3,9-dioxatetracyclo[12.4.0.0²,⁴.0⁸,¹²]octadec-17-en-13-yl 2-hydroxyacetate
(1s,2r,4r,7s,8r,11r,12r,13s,14s,15s)-15-(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-3,9-dioxatetracyclo[12.4.0.0²,⁴.0⁸,¹²]octadec-17-en-13-yl 2-hydroxyacetate
(1r,2r,3r,5r,7s,8r,11r,12s,13s,14s,15s)-2-(acetyloxy)-7-chloro-12,15-dihydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-4,9-dioxatetracyclo[12.4.0.0³,⁵.0⁸,¹²]octadec-17-en-13-yl acetate
(1r,2r,3r,5r,7s,8r,11r,12s,13s,14s,15s)-2-(acetyloxy)-7-chloro-12,15-dihydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-4,9-dioxatetracyclo[12.4.0.0³,⁵.0⁸,¹²]octadec-17-en-13-yl acetate
(1s,2r,5r,6s,9r,10s,11s,15s,16s,17r)-15-(acetyloxy)-6-chloro-9-hydroxy-2,11,15-trimethyl-7-methylidene-3,14-dioxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadec-12-en-17-yl 2-hydroxyacetate
(1s,2r,5r,6s,9r,10s,11s,15s,16s,17r)-15-(acetyloxy)-6-chloro-9-hydroxy-2,11,15-trimethyl-7-methylidene-3,14-dioxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadec-12-en-17-yl 2-hydroxyacetate
methyl (15s,16s,18r)-9-amino-3,10,16-trihydroxy-15-methyl-5-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1¹⁵,¹⁸.0²,⁶.0⁷,²⁷.0⁸,¹³.0¹⁹,²⁶.0²⁰,²⁵]octacosa-1(26),2(6),3,7(27),8(13),9,11,20(25),21,23-decaene-16-carboxylate
methyl (15s,16s,18r)-9-amino-3,10,16-trihydroxy-15-methyl-5-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1¹⁵,¹⁸.0²,⁶.0⁷,²⁷.0⁸,¹³.0¹⁹,²⁶.0²⁰,²⁵]octacosa-1(26),2(6),3,7(27),8(13),9,11,20(25),21,23-decaene-16-carboxylate
9-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-{[(2r,3r,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
9-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-{[(2r,3r,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one
