Exact Mass: 646.3118
Exact Mass Matches: 646.3118
Found 54 metabolites which its exact mass value is equals to given mass value 646.3118,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
gambogenic acid
(E)-4-[10,12-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid
6alpha-Acetoxy-9beta-benzoyloxy-1beta-cinnamoyloxy-8beta-(2-methylbutanoyloxy)-beta-dihydroagarofuran
6alpha-Acetoxy-9beta-benzoyloxy-1beta-cinnamoyloxy-8beta-(2-methylbutanoyloxy)-beta-dihydroagarofuran
(2Z)-4-[(5R*,16aS*)-3a,4,5,7,9,10,11,12,12a,13-decahydro-8,10-dihydroxy-3,3,10,13,13-pentamethyl-15-(3-methylbut-2-en-1-yl)-7,17-dioxo-3H,8bH-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid|gambogefic acid A
(2Z)-4-[(5R*,16aS*)-3a,4,5,7,9,10,11,12,12a,13-decahydro-8,10-dihydroxy-3,3,10,13,13-pentamethyl-15-(3-methylbut-2-en-1-yl)-7,17-dioxo-3H,8bH-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid|gambogefic acid A
10α-Hydroxyepigambogic acid
(E)-4-[12,16-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
1-[1-Carboxy-3-[[3-carboxy-5-[3-[decanoyl(hydroxy)amino]propylamino]-3-hydroxy-5-oxopentanoyl]amino]propyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid
1-[1-Carboxy-3-[[3-carboxy-5-[3-[decanoyl(hydroxy)amino]propylamino]-3-hydroxy-5-oxopentanoyl]amino]propyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid
[(2R)-1-hydroxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
[(2R)-1-hydroxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
(1r,4s)-4-[(4as,6s,8ar)-6-[(2r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-4-hydroxy-1-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentyl acetate
(1r,4s)-4-[(4as,6s,8ar)-6-[(2r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-4-hydroxy-1-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentyl acetate
17-(acetyloxy)-8-(furan-3-yl)-12-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 3-phenylprop-2-enoate
17-(acetyloxy)-8-(furan-3-yl)-12-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl 3-phenylprop-2-enoate
4-[10-(3,7-dimethylocta-2,6-dien-1-yl)-11-hydroxy-7-(2-hydroxypropan-2-yl)-20,20-dimethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid
4-[10-(3,7-dimethylocta-2,6-dien-1-yl)-11-hydroxy-7-(2-hydroxypropan-2-yl)-20,20-dimethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid
6α-acetoxy-9β-benzoyloxy-1β-cinnamoyloxy-8β-(2-methylbutanoyloxy)-β-dihydroagaro-furan
NA
{"Ingredient_id": "HBIN012194","Ingredient_name": "6\u03b1-acetoxy-9\u03b2-benzoyloxy-1\u03b2-cinnamoyloxy-8\u03b2-(2-methylbutanoyloxy)-\u03b2-dihydroagaro-furan","Alias": "NA","Ingredient_formula": "C38H46O9","Ingredient_Smile": "CCC(C)C(=O)OC1C2C(C3(C(CCC(C3(C1OC(=O)C4=CC=CC=C4)C)OC(=O)C=CC5=CC=CC=C5)C)OC2(C)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "132","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2z)-4-[(1s,2s,7r,16s,18r)-10-(3,7-dimethylocta-2,6-dien-1-yl)-11-hydroxy-7-(2-hydroxypropan-2-yl)-20,20-dimethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid
(2z)-4-[(1s,2s,7r,16s,18r)-10-(3,7-dimethylocta-2,6-dien-1-yl)-11-hydroxy-7-(2-hydroxypropan-2-yl)-20,20-dimethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid
2-[(2r,5r)-5-[(1s,4s)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate
2-[(2r,5r)-5-[(1s,4s)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate
(1s,2s,5r,6r,7s,8s,9r,12r)-12-(acetyloxy)-2,6,10,10-tetramethyl-8-{[(2r)-2-methylbutanoyl]oxy}-5-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2s,5r,6r,7s,8s,9r,12r)-12-(acetyloxy)-2,6,10,10-tetramethyl-8-{[(2r)-2-methylbutanoyl]oxy}-5-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
4-[12,16-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
4-[12,16-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
2-(5-{4-[6-(5-bromo-2,6,6-trimethyloxan-2-yl)-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl}-5-methyloxolan-2-yl)propan-2-yl acetate
2-(5-{4-[6-(5-bromo-2,6,6-trimethyloxan-2-yl)-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl}-5-methyloxolan-2-yl)propan-2-yl acetate
2-[(2r,5r)-5-[(1r,4s)-4-[(2r,4as,6s,8ar)-6-[(2r,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate
2-[(2r,5r)-5-[(1r,4s)-4-[(2r,4as,6s,8ar)-6-[(2r,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate
(2e)-4-[(1s,2s,8r,15s,16s,17s,19r)-12,16-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
(2e)-4-[(1s,2s,8r,15s,16s,17s,19r)-12,16-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
(2z)-4-[(1s,2s,17s,19r)-12,16-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
(2z)-4-[(1s,2s,17s,19r)-12,16-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
2-[(2r,5r)-5-[(1r)-4-[(4as,6s,8ar)-6-[(2r,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate
2-[(2r,5r)-5-[(1r)-4-[(4as,6s,8ar)-6-[(2r,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate
(2e)-4-[(1s,2s,7r,16s,18r)-10-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-11-hydroxy-7-(2-hydroxypropan-2-yl)-20,20-dimethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid
(2e)-4-[(1s,2s,7r,16s,18r)-10-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-11-hydroxy-7-(2-hydroxypropan-2-yl)-20,20-dimethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid
(1r,2r,4r,6s,8r,11r,12s,13r,16r,17r,19s,20r)-17-(acetyloxy)-8-(furan-3-yl)-12-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl (2e)-3-phenylprop-2-enoate
(1r,2r,4r,6s,8r,11r,12s,13r,16r,17r,19s,20r)-17-(acetyloxy)-8-(furan-3-yl)-12-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl (2e)-3-phenylprop-2-enoate
(1s,2r,5s,6s,7s,8r,9r,12r)-12-(acetyloxy)-2,6,10,10-tetramethyl-8-{[(2r)-2-methylbutanoyl]oxy}-5-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2r,5s,6s,7s,8r,9r,12r)-12-(acetyloxy)-2,6,10,10-tetramethyl-8-{[(2r)-2-methylbutanoyl]oxy}-5-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
12-(acetyloxy)-2,6,10,10-tetramethyl-8-[(2-methylbutanoyl)oxy]-5-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
12-(acetyloxy)-2,6,10,10-tetramethyl-8-[(2-methylbutanoyl)oxy]-5-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
4-[12,16-dihydroxy-8,8,12,25,25-pentamethyl-5-(3-methylbut-2-en-1-yl)-18,22-dioxo-3,7,24-trioxaheptacyclo[19.4.1.0²,¹⁹.0²,²³.0⁴,¹⁷.0⁶,¹⁵.0⁹,¹⁴]hexacosa-4,6(15),16,19-tetraen-23-yl]-2-methylbut-2-enoic acid
4-[12,16-dihydroxy-8,8,12,25,25-pentamethyl-5-(3-methylbut-2-en-1-yl)-18,22-dioxo-3,7,24-trioxaheptacyclo[19.4.1.0²,¹⁹.0²,²³.0⁴,¹⁷.0⁶,¹⁵.0⁹,¹⁴]hexacosa-4,6(15),16,19-tetraen-23-yl]-2-methylbut-2-enoic acid
(2z)-4-[(1s,2s,7r,16s,18r)-10-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-11-hydroxy-7-(2-hydroxypropan-2-yl)-20,20-dimethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid
(2z)-4-[(1s,2s,7r,16s,18r)-10-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-11-hydroxy-7-(2-hydroxypropan-2-yl)-20,20-dimethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid
(2z)-4-[(1s,2s,9r,12r,14r,21s,23r)-12,16-dihydroxy-8,8,12,25,25-pentamethyl-5-(3-methylbut-2-en-1-yl)-18,22-dioxo-3,7,24-trioxaheptacyclo[19.4.1.0²,¹⁹.0²,²³.0⁴,¹⁷.0⁶,¹⁵.0⁹,¹⁴]hexacosa-4,6(15),16,19-tetraen-23-yl]-2-methylbut-2-enoic acid
(2z)-4-[(1s,2s,9r,12r,14r,21s,23r)-12,16-dihydroxy-8,8,12,25,25-pentamethyl-5-(3-methylbut-2-en-1-yl)-18,22-dioxo-3,7,24-trioxaheptacyclo[19.4.1.0²,¹⁹.0²,²³.0⁴,¹⁷.0⁶,¹⁵.0⁹,¹⁴]hexacosa-4,6(15),16,19-tetraen-23-yl]-2-methylbut-2-enoic acid
2-[(2r,5r)-5-[(1r,4s)-4-[(4as,6s,8ar)-6-[(2r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate
2-[(2r,5r)-5-[(1r,4s)-4-[(4as,6s,8ar)-6-[(2r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate
