Exact Mass: 592.289
Exact Mass Matches: 592.289
Found 41 metabolites which its exact mass value is equals to given mass value 592.289,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
3-O-Acetyl-adonitoxin, Adonitoxigenin-(3-O-acetyl-rhamnopyranosid)|3-O-Acetyl-adonitoxin, Adonitoxigenin-<3-O-acetyl-rhamnopyranosid>
3-O-Acetyl-adonitoxin, Adonitoxigenin-(3-O-acetyl-rhamnopyranosid)|3-O-Acetyl-adonitoxin, Adonitoxigenin-<3-O-acetyl-rhamnopyranosid>
3-[(6-deoxy-3-o-methylhexopyranosyl)oxy]-5,14,16-trihydroxy-19-oxobufa-20,22-dienolide
3-[(6-deoxy-3-o-methylhexopyranosyl)oxy]-5,14,16-trihydroxy-19-oxobufa-20,22-dienolide
Ajugamarin B2|ajugamarin B2 ((12S)-6alpha,12,19-triacetoxy-1beta-<(2S)-2-methylbutanoyloxy>-4,18-epoxyneo-clerod-13(14)-en-15,16-olide)|ajugamarin B2 [(12S)-6alpha,12,19-triacetoxy-1beta-((2S)-2-methylbutanoyloxy)-4,18-epoxyneo-clerod-13(14)-en-15,16-olide]
Ajugamarin B2|ajugamarin B2 ((12S)-6alpha,12,19-triacetoxy-1beta-<(2S)-2-methylbutanoyloxy>-4,18-epoxyneo-clerod-13(14)-en-15,16-olide)|ajugamarin B2 [(12S)-6alpha,12,19-triacetoxy-1beta-((2S)-2-methylbutanoyloxy)-4,18-epoxyneo-clerod-13(14)-en-15,16-olide]
1alpha-(alpha-methyl)-butanoyloxy-2alpha-(alpha-methyl)-propanoyloxy-4beta-hydroxy-9beta-(beta-)furoyloxy-15-acetoxy-beta-dihydroagarofuran|1??-(??-Methyl)-butanoyl-2??-(??-methyl)-propynoyloxy-4??-hydroxy-9??-(??-)furoyloxy-15-acetoxy-??-dihydroagarofuran
1alpha-(alpha-methyl)-butanoyloxy-2alpha-(alpha-methyl)-propanoyloxy-4beta-hydroxy-9beta-(beta-)furoyloxy-15-acetoxy-beta-dihydroagarofuran|1??-(??-Methyl)-butanoyl-2??-(??-methyl)-propynoyloxy-4??-hydroxy-9??-(??-)furoyloxy-15-acetoxy-??-dihydroagarofuran
(1s,2s,3r,4r,7s,8z,10r,12s,13r,14s)-2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate
(1s,2s,3r,4r,7s,8z,10r,12s,13r,14s)-2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate
(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl (2s)-2-methylbutanoate
(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl (2s)-2-methylbutanoate
(1s,2s,3s,4r,7s,8z,10r,12s,13r,14s)-2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate
(1s,2s,3s,4r,7s,8z,10r,12s,13r,14s)-2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate
(1s)-2-[(1s,4ar,5s,6s,8r,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylbutanoate
(1s)-2-[(1s,4ar,5s,6s,8r,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylbutanoate
[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate; (2S)-2-methylbutanoic acid [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-1-spiro[decalin-4,2'-oxirane]yl] ester; [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate; (2S)-2-methylbutyric acid [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-8-[(2S)-2-acetoxy-2-(5-keto-2H-furan-3-yl)ethyl]-4a-(acetoxymethyl)-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] ester
{"Ingredient_id": "HBIN003120","Ingredient_name": "[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate","Alias": "[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate; (2S)-2-methylbutanoic acid [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-1-spiro[decalin-4,2'-oxirane]yl] ester; [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate; (2S)-2-methylbutyric acid [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-8-[(2S)-2-acetoxy-2-(5-keto-2H-furan-3-yl)ethyl]-4a-(acetoxymethyl)-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] ester","Ingredient_formula": "C31H44O11","Ingredient_Smile": "NA","Ingredient_weight": "592.67","OB_score": "23.87206564","CAS_id": "121449-65-8","SymMap_id": "SMIT09131","TCMID_id": "NA","TCMSP_id": "MOL007754","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ajugamacrin b
NA
{"Ingredient_id": "HBIN014974","Ingredient_name": "ajugamacrin b","Alias": "NA","Ingredient_formula": "C31H44O11","Ingredient_Smile": "CCC(C)C(=O)OC(CC1(C(CC(C2(C1C(CCC23CO3)OC(=O)C)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4","Ingredient_weight": "592.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "800","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101370736","DrugBank_id": "NA"}
ajugamarin b2
NA
{"Ingredient_id": "HBIN014977","Ingredient_name": "ajugamarin b2","Alias": "NA","Ingredient_formula": "C31H44O11","Ingredient_Smile": "CCC(C)C(=O)OC1CCC2(CO2)C3(C1C(C(CC3OC(=O)C)C)(C)CC(C4=CC(=O)OC4)OC(=O)C)COC(=O)C","Ingredient_weight": "592.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14208","TCMID_id": "803","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "180054","DrugBank_id": "NA"}
(1r,4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-5-[(2s)-2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2s)-2-methylbutanoate
(1r,4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-5-[(2s)-2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2s)-2-methylbutanoate
7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2,3a,5a-trihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2,3a,5a-trihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl 2-methylbutanoate
2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl 2-methylbutanoate
2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl 2-methylbutanoate
2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl 2-methylbutanoate
(1s,2s,3r,4r,7s,8z,13s,14r,15s)-2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2s)-2-methylbutanoate
(1s,2s,3r,4r,7s,8z,13s,14r,15s)-2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2s)-2-methylbutanoate
(4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-5-[(2s)-2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2s)-2-methylbutanoate
(4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-5-[(2s)-2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl (2s)-2-methylbutanoate
(1s,2s,3r,4r,7s,8z,12s,13s,14r,15s)-2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2s)-2-methylbutanoate
(1s,2s,3r,4r,7s,8z,12s,13s,14r,15s)-2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2s)-2-methylbutanoate
(1r,2s,3s,4s,4ar,5s,6r,8s,8ar)-5-[(3as,6as)-2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl]-3,8-bis(acetyloxy)-2-hydroxy-5,6-dimethyl-4-{[(2e)-2-methylbut-2-en-1-yl]oxy}-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate
(1r,2s,3s,4s,4ar,5s,6r,8s,8ar)-5-[(3as,6as)-2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl]-3,8-bis(acetyloxy)-2-hydroxy-5,6-dimethyl-4-{[(2e)-2-methylbut-2-en-1-yl]oxy}-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate
(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl (2r)-2-methylbutanoate
(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl (2r)-2-methylbutanoate
(1r,2r,3r,4s,5s,7r,8r,9r,10r,11s,13s,15r)-2,4,7-tris(acetyloxy)-8,16-dihydroxy-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl (2e)-2-methylbut-2-enoate
(1r,2r,3r,4s,5s,7r,8r,9r,10r,11s,13s,15r)-2,4,7-tris(acetyloxy)-8,16-dihydroxy-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl (2e)-2-methylbut-2-enoate
(1s,2s,3s,4r,7s,8z,10r,12s,13r,14s)-2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-10-yl 3-methylbutanoate
(1s,2s,3s,4r,7s,8z,10r,12s,13r,14s)-2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-10-yl 3-methylbutanoate
(1r,2s,3as,3br,5as,7s,9as,9bs,11ar)-7-{[(2r,3s,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-2,3a,5a-trihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
(1r,2s,3as,3br,5as,7s,9as,9bs,11ar)-7-{[(2r,3s,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-2,3a,5a-trihydroxy-11a-methyl-1-(6-oxopyran-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
2-[4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylbutanoate
2-[4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylbutanoate
(1r,2r,3r,4s,7r,8z,12r,13r,14s,15r)-2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate
(1r,2r,3r,4s,7r,8z,12r,13r,14s,15r)-2,14,15-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl (2r)-2-methylbutanoate
2-{[9a-formyl-2,3a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate
2-{[9a-formyl-2,3a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate
8-(acetyloxy)-5-[2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl 2-methylbutanoate
8-(acetyloxy)-5-[2-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl 2-methylbutanoate
2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-10-yl 3-methylbutanoate
2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-10-yl 3-methylbutanoate
(2s,3r,4r,5s,6s)-2-{[(1r,2r,3as,3br,5ar,7s,9ar,9bs,11ar)-9a-formyl-2,3a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate
(2s,3r,4r,5s,6s)-2-{[(1r,2r,3as,3br,5ar,7s,9ar,9bs,11ar)-9a-formyl-2,3a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate
