Exact Mass: 542.1826
Exact Mass Matches: 542.1826
Found 70 metabolites which its exact mass value is equals to given mass value 542.1826,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Bruceantarin
methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-benzoyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Bruceantarin is a natural product found in Brucea javanica with data available.
Asp Phe Met Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid
Asp Met Phe Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid
Asp Met Met Phe
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
Phe Asp Met Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid
Phe Met Asp Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid
Phe Met Met Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]butanedioic acid
Met Asp Phe Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid
Met Asp Met Phe
(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
Met Phe Asp Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid
Met Phe Met Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]butanedioic acid
Met Met Asp Phe
(3S)-3-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid
Met Met Phe Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]butanedioic acid
ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate (dihydrochloride)
ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate (dihydrochloride)
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(E)-[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(E)-[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide
dehydroepiandrosterone 3-O-(3-sulfo-beta-D-glucuronide)(2-)
dehydroepiandrosterone 3-O-(3-sulfo-beta-D-glucuronide)(2-)
(1r,2r,4s,5r,7r,11r,12s,15s,18s,19r,20s,21s,23r,26s)-4,15-dihydroxy-11,18,21-trimethyl-6,17,24,28,29-pentaoxanonacyclo[17.9.1.1¹,²⁰.0²,¹².0⁵,⁷.0⁵,¹¹.0¹⁵,¹⁹.0¹⁸,²³.0²¹,²⁶]triacont-8-ene-10,16,25,30-tetrone
(1r,2r,4s,5r,7r,11r,12s,15s,18s,19r,20s,21s,23r,26s)-4,15-dihydroxy-11,18,21-trimethyl-6,17,24,28,29-pentaoxanonacyclo[17.9.1.1¹,²⁰.0²,¹².0⁵,⁷.0⁵,¹¹.0¹⁵,¹⁹.0¹⁸,²³.0²¹,²⁶]triacont-8-ene-10,16,25,30-tetrone
13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate
13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate
methyl (1r,2s,3r,6r,8s,12s,13s,14r,15r,16s,17s)-3-(benzoyloxy)-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate
methyl (1r,2s,3r,6r,8s,12s,13s,14r,15r,16s,17s)-3-(benzoyloxy)-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate
methyl (1r,2s,3r,6r,8r,13s,14r,15r,16s)-3-(benzoyloxy)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate
methyl (1r,2s,3r,6r,8r,13s,14r,15r,16s)-3-(benzoyloxy)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate
(1's,2r,2's,3'r,4'r,7'r,8's,12's,13's,14's)-2',14'-bis(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-12'-yl acetate
(1's,2r,2's,3'r,4'r,7'r,8's,12's,13's,14's)-2',14'-bis(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-12'-yl acetate
(1r,2r,5r,6s,10r,11r,12s,14r,15s,16s,17r)-12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate
(1r,2r,5r,6s,10r,11r,12s,14r,15s,16s,17r)-12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate
(2s,3r,4r,5s,6s)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate
(2s,3r,4r,5s,6s)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate
3α,3β-carboxyvincoside lactam
NA
{"Ingredient_id": "HBIN007917","Ingredient_name": "3\u03b1,3\u03b2-carboxyvincoside lactam","Alias": "NA","Ingredient_formula": "C27H30N2O10","Ingredient_Smile": "C=CC1C2CC3C4=C(CC(N3C(=O)C2=COC1OC5C(C(C(C(O5)CO)O)O)O)C(=O)O)C6=CC=CC=C6N4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3186","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s,3r,4r,5s)-5-(acetyloxy)-3-hydroxy-2-[(9r)-4,5,9-trihydroxy-2-methoxy-7-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate
(2s,3r,4r,5s)-5-(acetyloxy)-3-hydroxy-2-[(9r)-4,5,9-trihydroxy-2-methoxy-7-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate
2-(acetyloxy)-8-chloro-3,12,18-trihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl butanoate
2-(acetyloxy)-8-chloro-3,12,18-trihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl butanoate
(1s,2s,3r,4r,7r,8s,10z,12s,13s,14r,16r,17r,18s)-2-(acetyloxy)-8-chloro-3,12,18-trihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl butanoate
(1s,2s,3r,4r,7r,8s,10z,12s,13s,14r,16r,17r,18s)-2-(acetyloxy)-8-chloro-3,12,18-trihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl butanoate
methyl (2s,3r,6r,8s,12s,13s,14r,15r,16s,17r)-3-(benzoyloxy)-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate
methyl (2s,3r,6r,8s,12s,13s,14r,15r,16s,17r)-3-(benzoyloxy)-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate
4,15-dihydroxy-11,18,21-trimethyl-6,17,24,28,29-pentaoxanonacyclo[17.9.1.1¹,²⁰.0²,¹².0⁵,⁷.0⁵,¹¹.0¹⁵,¹⁹.0¹⁸,²³.0²¹,²⁶]triacont-8-ene-10,16,25,30-tetrone
4,15-dihydroxy-11,18,21-trimethyl-6,17,24,28,29-pentaoxanonacyclo[17.9.1.1¹,²⁰.0²,¹².0⁵,⁷.0⁵,¹¹.0¹⁵,¹⁹.0¹⁸,²³.0²¹,²⁶]triacont-8-ene-10,16,25,30-tetrone
(1r,2r,3s,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate
(1r,2r,3s,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate
4,5-dihydroxy-2-[7-hydroxy-2-(2-hydroxypropyl)-5-methyl-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate
4,5-dihydroxy-2-[7-hydroxy-2-(2-hydroxypropyl)-5-methyl-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate
(2s,3r,4s,5r,6r)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate
(2s,3r,4s,5r,6r)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate
(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-{7-hydroxy-2-[(2s)-2-hydroxypropyl]-5-methyl-4-oxochromen-8-yl}-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-{7-hydroxy-2-[(2s)-2-hydroxypropyl]-5-methyl-4-oxochromen-8-yl}-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(2r,3s,4s,5r)-5-(acetyloxy)-3-hydroxy-2-[(9r)-4,5,9-trihydroxy-2-methoxy-7-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate
(2r,3s,4s,5r)-5-(acetyloxy)-3-hydroxy-2-[(9r)-4,5,9-trihydroxy-2-methoxy-7-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate
(1s,2s,3s,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate
(1s,2s,3s,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate
(1s,12s,18s,19r,20s)-19-ethenyl-14-oxo-18-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaene-12-carboxylic acid
(1s,12s,18s,19r,20s)-19-ethenyl-14-oxo-18-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaene-12-carboxylic acid
19-ethenyl-14-oxo-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaene-12-carboxylic acid
19-ethenyl-14-oxo-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaene-12-carboxylic acid
(1r,2r,5r,6s,10s,11s,12s,14r,15s,16s,17r)-12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate
(1r,2r,5r,6s,10s,11s,12s,14r,15s,16s,17r)-12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate
13,27-dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,21,23,25,27,30(34),32,35-pentadecaene
13,27-dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,21,23,25,27,30(34),32,35-pentadecaene
(2r,3s,4s,5r)-5-(acetyloxy)-3-hydroxy-2-[(9s)-4,5,9-trihydroxy-2-methoxy-7-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate
(2r,3s,4s,5r)-5-(acetyloxy)-3-hydroxy-2-[(9s)-4,5,9-trihydroxy-2-methoxy-7-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate
methyl (1r,2s,3r,6r,8r,13s,14r,15r,16s,17s)-3-(benzoyloxy)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate
methyl (1r,2s,3r,6r,8r,13s,14r,15r,16s,17s)-3-(benzoyloxy)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate
(1s,2s,3s,5r,7s,8r,11r,12r,13r,14s,15r,16s,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate
(1s,2s,3s,5r,7s,8r,11r,12r,13r,14s,15r,16s,17s,19r)-13-(acetyloxy)-7-chloro-2,12-dihydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl butanoate
12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate
12,14-bis(acetyloxy)-6-chloro-15-hydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate
2',14'-bis(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-12'-yl acetate
2',14'-bis(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-12'-yl acetate
(2s,3r,4r,5s)-5-(acetyloxy)-3-hydroxy-2-[(9s)-4,5,9-trihydroxy-2-methoxy-7-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate
(2s,3r,4r,5s)-5-(acetyloxy)-3-hydroxy-2-[(9s)-4,5,9-trihydroxy-2-methoxy-7-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate
