Exact Mass: 644.2846
Exact Mass Matches: 644.2846
Found 48 metabolites which its exact mass value is equals to given mass value 644.2846,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Taccalonolide E
Taccalonolide E
Taccalonolide E is a natural product found in Tacca plantaginea and Tacca chantrieri with data available.
2-[[2-(1,3-dicarboxypropyl)-6,6,9a-trimethyl-5-[(2E,4E,6E)-octa-2,4,6-trienoyl]oxy-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e]isoindol-4-yl]amino]pentanedioic acid
NCGC00380197-01!2-[[2-(1,3-dicarboxypropyl)-6,6,9a-trimethyl-5-[(2E,4E,6E)-octa-2,4,6-trienoyl]oxy-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e]isoindol-4-yl]amino]pentanedioic acid
3,5-BIS(TERT-BUTYLDIPHENYLSILYLOXY)BENZOIC ACID METHYL ESTER
3,5-BIS(TERT-BUTYLDIPHENYLSILYLOXY)BENZOIC ACID METHYL ESTER
2-((1E,3E)-3-(3-butyl-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)prop-1-enyl)-1,1,3-trimethyl-1H-benzo[e]indolium
2-((1E,3E)-3-(3-butyl-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)prop-1-enyl)-1,1,3-trimethyl-1H-benzo[e]indolium
(S)-7,7-Bis[di(p-methylphenyl)phosphino]-1,1-spirobiindane
(S)-7,7-Bis[di(p-methylphenyl)phosphino]-1,1-spirobiindane
12-Ethyl-71-hydroxy-8-isobutylbacteriochlorophyllide c
12-Ethyl-71-hydroxy-8-isobutylbacteriochlorophyllide c
1-[1-carboxy-3-[[3-carboxy-5-[3-[[(E)-dec-2-enoyl]-hydroxyamino]propylamino]-3-hydroxy-5-oxopentanoyl]amino]propyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid
1-[1-carboxy-3-[[3-carboxy-5-[3-[[(E)-dec-2-enoyl]-hydroxyamino]propylamino]-3-hydroxy-5-oxopentanoyl]amino]propyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid
2-[[2-(1,3-dicarboxypropyl)-6,6,9a-trimethyl-5-[(2E,4E,6E)-octa-2,4,6-trienoyl]oxy-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e]isoindol-4-yl]amino]pentanedioic acid
2-[[2-(1,3-dicarboxypropyl)-6,6,9a-trimethyl-5-[(2E,4E,6E)-octa-2,4,6-trienoyl]oxy-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e]isoindol-4-yl]amino]pentanedioic acid
20,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
20,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15r,16r,19s,21r)-4,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15r,16r,19s,21r)-4,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(1s,2r,3r,5s,7s,9s,10r,11r,12s,14s,15r,16s,17s,22s,23s,24s,25r)-14,25-bis(acetyloxy)-3,22-dihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacos-18-en-10-yl acetate
(1s,2r,3r,5s,7s,9s,10r,11r,12s,14s,15r,16s,17s,22s,23s,24s,25r)-14,25-bis(acetyloxy)-3,22-dihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.0²,¹².0⁵,¹¹.0⁷,⁹.0¹⁶,²⁴.0¹⁹,²³]pentacos-18-en-10-yl acetate
12- o -acetylazedarachin b
NA
{"Ingredient_id": "HBIN000914","Ingredient_name": "12- o -acetylazedarachin b","Alias": "NA","Ingredient_formula": "C34H44O12","Ingredient_Smile": "CC(C)C(=O)OC1C2(C3CC(C4(C(C3(CO1)C(CC2OC(=O)C)O)C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)OC(=O)C)C)O)C","Ingredient_weight": "644.71","OB_score": "NA","CAS_id": "163634-39-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9376","PubChem_id": "101930513","DrugBank_id": "NA"}
19,20-bis(acetyloxy)-6-(furan-3-yl)-11,18-dihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosan-15-yl 2-methylpropanoate
19,20-bis(acetyloxy)-6-(furan-3-yl)-11,18-dihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosan-15-yl 2-methylpropanoate
(e,2z,4z)-n-[(1e)-3-[(1s,11s,13r,15r)-15-{[(2r,3s,4r,5s,6r)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.0³,⁸]heptadeca-3,5,7-trien-11-yl]prop-1-en-1-yl]hepta-2,4-dienimidic acid
(e,2z,4z)-n-[(1e)-3-[(1s,11s,13r,15r)-15-{[(2r,3s,4r,5s,6r)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.0³,⁸]heptadeca-3,5,7-trien-11-yl]prop-1-en-1-yl]hepta-2,4-dienimidic acid
(e,2z,4z)-n-[(1e)-3-[(1s,11s,13r,15s)-15-{[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.0³,⁸]heptadeca-3,5,7-trien-11-yl]prop-1-en-1-yl]hepta-2,4-dienimidic acid
(e,2z,4z)-n-[(1e)-3-[(1s,11s,13r,15s)-15-{[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.0³,⁸]heptadeca-3,5,7-trien-11-yl]prop-1-en-1-yl]hepta-2,4-dienimidic acid
(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15r,16s,19s,21r)-4,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15r,16s,19s,21r)-4,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
4,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
4,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
n-{3-[15-({4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl}oxy)-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.0³,⁸]heptadeca-3,5,7-trien-11-yl]prop-1-en-1-yl}hepta-2,4-dienimidic acid
n-{3-[15-({4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl}oxy)-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.0³,⁸]heptadeca-3,5,7-trien-11-yl]prop-1-en-1-yl}hepta-2,4-dienimidic acid
(1r,3r,4r,6r)-6-[(r)-[(1r,5r,8ar)-1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl](acetyloxy)methyl]-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-5-oxocyclohexyl (2r)-2-methylbutanoate
(1r,3r,4r,6r)-6-[(r)-[(1r,5r,8ar)-1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl](acetyloxy)methyl]-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-5-oxocyclohexyl (2r)-2-methylbutanoate
(1s,2r,4s,7s,8s,10s,11r,12s,13s,15r,17s,19r)-13,15,19-tris(acetyloxy)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-10-yl acetate
(1s,2r,4s,7s,8s,10s,11r,12s,13s,15r,17s,19r)-13,15,19-tris(acetyloxy)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-10-yl acetate
13,15,19-tris(acetyloxy)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-10-yl acetate
13,15,19-tris(acetyloxy)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-10-yl acetate
6-[(acetyloxy)[1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl]methyl]-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-5-oxocyclohexyl 2-methylbutanoate
6-[(acetyloxy)[1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl]methyl]-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-5-oxocyclohexyl 2-methylbutanoate
(1r,3r,4r)-6-[(r)-[(1r,5r,8ar)-1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl](acetyloxy)methyl]-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-5-oxocyclohexyl 2-methylbutanoate
(1r,3r,4r)-6-[(r)-[(1r,5r,8ar)-1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl](acetyloxy)methyl]-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-5-oxocyclohexyl 2-methylbutanoate
(e,2z,4z)-n-[(1e)-3-[(1s,11s,13r,15r)-15-{[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.0³,⁸]heptadeca-3,5,7-trien-11-yl]prop-1-en-1-yl]hepta-2,4-dienimidic acid
(e,2z,4z)-n-[(1e)-3-[(1s,11s,13r,15r)-15-{[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.0³,⁸]heptadeca-3,5,7-trien-11-yl]prop-1-en-1-yl]hepta-2,4-dienimidic acid
(1s,2s,5s,6r,9r,10s,11r,13r,14r,15s,18r,19r,20s)-19,20-bis(acetyloxy)-6-(furan-3-yl)-11,18-dihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosan-15-yl 2-methylpropanoate
(1s,2s,5s,6r,9r,10s,11r,13r,14r,15s,18r,19r,20s)-19,20-bis(acetyloxy)-6-(furan-3-yl)-11,18-dihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosan-15-yl 2-methylpropanoate
(1s,2r,5s,6s,8r,10r,11s,12r,14r,15r,16r,19r,20r,21s)-20,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(1s,2r,5s,6s,8r,10r,11s,12r,14r,15r,16r,19r,20r,21s)-20,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(1s,2r,5s,6s,8r,10r,11s,12r,14r,15r,16s,19r,20r,21s)-20,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(1s,2r,5s,6s,8r,10r,11s,12r,14r,15r,16s,19r,20r,21s)-20,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15s,16s,19s,21r)-4,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15s,16s,19s,21r)-4,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
