Exact Mass: 666.2941
Exact Mass Matches: 666.2941
Found 52 metabolites which its exact mass value is equals to given mass value 666.2941,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Caseargrewiin B
Caseargrewiin B
A diterpenoid of the clerodane group isolated from the bark of Casearia grewiifolia and has been shown to exhibit antimalarial and antimycobacterial activity.
12-O-Benzoyl-14-O-(2E,4E)-decadienoyl-5beta,12beta-dihydroxyresiniferonol-6alpha,7alpha-oxide
12-O-Benzoyl-14-O-(2E,4E)-decadienoyl-5beta,12beta-dihydroxyresiniferonol-6alpha,7alpha-oxide
1,6-di-O-trityl-galactitol|1,6-di-O-tritylgalactitol|1.6-Bis-O-triphenylmethyl-galaktit|1.6-Bis-triphenylmethoxy-galacto-hexantetrol-(2.3.4.5)|1.6-di-O-trityl-galactitol|1.6-Di-O-trityl-galaktit
1,6-di-O-trityl-galactitol|1,6-di-O-tritylgalactitol|1.6-Bis-O-triphenylmethyl-galaktit|1.6-Bis-triphenylmethoxy-galacto-hexantetrol-(2.3.4.5)|1.6-di-O-trityl-galactitol|1.6-Di-O-trityl-galaktit
2,2,3,3-Tetrahydro-3,3,6,6,7,7-hexamethoxy-4,4-diphenyl-5,5-bi(1H-phenalene)
2,2,3,3-Tetrahydro-3,3,6,6,7,7-hexamethoxy-4,4-diphenyl-5,5-bi(1H-phenalene)
(55S,71S)-16,59,76,7-tetramethoxy-56,72-dimethyl-55,6,7,8,71,2,3,4-octahydro-2,6-dioxa-1(1,3),3(1,4)-dibenzena-5(5,4)-[1,3]dioxolo[4,5-g]isoquinolina-7(5,1)-isoquinolina-cyclooctaphane|O6,O7-methanediyl-O5-methyl-20,21-dinor-thalmirabine|Thalfinin|Thalfinine
(55S,71S)-16,59,76,7-tetramethoxy-56,72-dimethyl-55,6,7,8,71,2,3,4-octahydro-2,6-dioxa-1(1,3),3(1,4)-dibenzena-5(5,4)-[1,3]dioxolo[4,5-g]isoquinolina-7(5,1)-isoquinolina-cyclooctaphane|O6,O7-methanediyl-O5-methyl-20,21-dinor-thalmirabine|Thalfinin|Thalfinine
caseargrewiin B|rel-(2R,5S,6R,7R,9S,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-butanoyloxy-6-hydroxy-7-(p-hydroxycinnamoyloxy)cleroda-3,12(Z),14-triene
caseargrewiin B|rel-(2R,5S,6R,7R,9S,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-butanoyloxy-6-hydroxy-7-(p-hydroxycinnamoyloxy)cleroda-3,12(Z),14-triene
4,4-((1E,1E)-NAPHTHALENE-1,4-DIYLBIS(ETHENE-2,1-DIYL))BIS(N,N-DIPHENYLANILINE)
4,4-((1E,1E)-NAPHTHALENE-1,4-DIYLBIS(ETHENE-2,1-DIYL))BIS(N,N-DIPHENYLANILINE)
1-[(3S,9R,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3S,9R,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
Suc-Ala-Leu-Pro-Phe-pNA
Suc-Ala-Leu-Pro-Phe-pNA
Suc-Ala-Leu-Pro-Phe-pNA (Suc-ALPF-pNA) is a substrate of FK-506 binding protein (FKBP)[1].
73609-02-6
19H-2,3,7-(1,3)Butadien(1)yl(4)ylidene-9,12-etheno-14,18-metheno-4H-pyrido(2,3,4-tu)-1,13,6-benzodioxaazacyclodocosine-20(19aH)-carboxaldehyde, 5,6,7,8,21,22-hexahydro-15,24,25,31,32-pentamethoxy-6-methyl-, (7S,19aS)-
{"Ingredient_id": "HBIN012911","Ingredient_name": "73609-02-6","Alias": "19H-2,3,7-(1,3)Butadien(1)yl(4)ylidene-9,12-etheno-14,18-metheno-4H-pyrido(2,3,4-tu)-1,13,6-benzodioxaazacyclodocosine-20(19aH)-carboxaldehyde, 5,6,7,8,21,22-hexahydro-15,24,25,31,32-pentamethoxy-6-methyl-, (7S,19aS)-","Ingredient_formula": "C39H42N2O8","Ingredient_Smile": "CN1CCC2=C3C(=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C=O)OC)OC)OC)OC)OC","Ingredient_weight": "666.76","OB_score": "11.63134667","CAS_id": "73609-02-6","SymMap_id": "SMIT10052","TCMID_id": "NA","TCMSP_id": "MOL008831","TCM_ID_id": "NA","PubChem_id": "156018","DrugBank_id": "NA"}
2-ethyl-3-methyl-6-oxo-5-{[2,4,6-tris(acetyloxy)-3-(3,7-dimethylocta-2,6-dien-1-yl)-5-(2-methylpropanoyl)phenyl]methyl}pyran-4-yl acetate
2-ethyl-3-methyl-6-oxo-5-{[2,4,6-tris(acetyloxy)-3-(3,7-dimethylocta-2,6-dien-1-yl)-5-(2-methylpropanoyl)phenyl]methyl}pyran-4-yl acetate
(1s,3s,4s,5r,6r,7r)-4,7-dihydroxy-6-[(3-hydroxy-4,6-dimethyloctanoyl)oxy]-1-[(4s,5r)-4-hydroxy-5-methyl-3-methylidene-6-phenylhexyl]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
(1s,3s,4s,5r,6r,7r)-4,7-dihydroxy-6-[(3-hydroxy-4,6-dimethyloctanoyl)oxy]-1-[(4s,5r)-4-hydroxy-5-methyl-3-methylidene-6-phenylhexyl]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
2-ethyl-3-methyl-6-oxo-5-{[2,4,6-tris(acetyloxy)-3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5-(2-methylpropanoyl)phenyl]methyl}pyran-4-yl acetate
2-ethyl-3-methyl-6-oxo-5-{[2,4,6-tris(acetyloxy)-3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5-(2-methylpropanoyl)phenyl]methyl}pyran-4-yl acetate
(9s)-10-{[(9s)-3-hydroxy-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-10-yl]methyl}-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-3-ol
(9s)-10-{[(9s)-3-hydroxy-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-10-yl]methyl}-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-3-ol
4-methoxy-6-({4-methoxy-3-[4-({4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl}methyl)phenoxy]phenyl}methyl)-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinoline
4-methoxy-6-({4-methoxy-3-[4-({4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl}methyl)phenoxy]phenyl}methyl)-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinoline
(2s,3as,4ar,6s,8s,8as,9r,10r)-2,8,9,10-tetrakis(acetyloxy)-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2h,3h,4h,4ah,6h,7h,8h,9h,10h-cyclohexa[f]azulen-6-yl (2e)-3-phenylprop-2-enoate
(2s,3as,4ar,6s,8s,8as,9r,10r)-2,8,9,10-tetrakis(acetyloxy)-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2h,3h,4h,4ah,6h,7h,8h,9h,10h-cyclohexa[f]azulen-6-yl (2e)-3-phenylprop-2-enoate
(1s,2s,4r,5s,6s,10s,11r,12r,13r,14s,15r)-15-[(2e,4e)-deca-2,4-dienoyloxy]-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.0²,⁴.0⁶,¹⁰]pentadec-8-en-13-yl benzoate
(1s,2s,4r,5s,6s,10s,11r,12r,13r,14s,15r)-15-[(2e,4e)-deca-2,4-dienoyloxy]-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.0²,⁴.0⁶,¹⁰]pentadec-8-en-13-yl benzoate
1,3-bis(acetyloxy)-10-hydroxy-9-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl butanoate
1,3-bis(acetyloxy)-10-hydroxy-9-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl butanoate
(3s,25s)-8,17,18,30-tetramethoxy-4,24-dimethyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.1³,⁷.1²⁷,³¹.0⁹,¹³.0¹⁶,²¹.0²⁰,²⁵.0¹⁴,³⁹]nonatriaconta-1(35),7(39),8,13,16(21),17,19,27,29,31(38),33,36-dodecaene
(3s,25s)-8,17,18,30-tetramethoxy-4,24-dimethyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.1³,⁷.1²⁷,³¹.0⁹,¹³.0¹⁶,²¹.0²⁰,²⁵.0¹⁴,³⁹]nonatriaconta-1(35),7(39),8,13,16(21),17,19,27,29,31(38),33,36-dodecaene
(1s,9s)-4,13-dimethoxy-17-methyl-6-{[(9s)-3,4,15-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-16-yl]oxy}-17-azatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4,6,10(15),11,13-hexaene-3,12-diol
(1s,9s)-4,13-dimethoxy-17-methyl-6-{[(9s)-3,4,15-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-16-yl]oxy}-17-azatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4,6,10(15),11,13-hexaene-3,12-diol
(1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-10-hydroxy-9-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-7,8-dimethyl-7-[(2z)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl butanoate
(1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-10-hydroxy-9-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-7,8-dimethyl-7-[(2z)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl butanoate
(1r,2r,3r,5s,7s,8s,9r,10r,13s)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2e)-3-phenylprop-2-enoate
(1r,2r,3r,5s,7s,8s,9r,10r,13s)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2e)-3-phenylprop-2-enoate
4,13-dimethoxy-17-methyl-6-({3,4,15-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-16-yl}oxy)-17-azatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4,6,10(15),11,13-hexaene-3,12-diol
4,13-dimethoxy-17-methyl-6-({3,4,15-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-16-yl}oxy)-17-azatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4,6,10(15),11,13-hexaene-3,12-diol
15-(deca-2,4-dienoyloxy)-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.0²,⁴.0⁶,¹⁰]pentadec-8-en-13-yl benzoate
15-(deca-2,4-dienoyloxy)-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.0²,⁴.0⁶,¹⁰]pentadec-8-en-13-yl benzoate
7,9,10,13-tetrakis(acetyloxy)-1-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl 3-phenylprop-2-enoate
7,9,10,13-tetrakis(acetyloxy)-1-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl 3-phenylprop-2-enoate
4,7-dihydroxy-6-[(3-hydroxy-4,6-dimethyloctanoyl)oxy]-1-(4-hydroxy-5-methyl-3-methylidene-6-phenylhexyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
4,7-dihydroxy-6-[(3-hydroxy-4,6-dimethyloctanoyl)oxy]-1-(4-hydroxy-5-methyl-3-methylidene-6-phenylhexyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
(4r,4's)-1,1',4,4',9,9'-hexamethoxy-3,3'-diphenyl-4h,4'h,5h,5'h,6h,6'h-2,2'-biphenalene
(4r,4's)-1,1',4,4',9,9'-hexamethoxy-3,3'-diphenyl-4h,4'h,5h,5'h,6h,6'h-2,2'-biphenalene
10-({3-hydroxy-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-10-yl}methyl)-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-3-ol
10-({3-hydroxy-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-10-yl}methyl)-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-3-ol
10,11,15,16,27-pentamethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.1¹⁴,¹⁸.1²⁴,²⁸.0³,⁸.0⁷,¹².0²²,³⁶]hexatriaconta-1(32),7(12),8,10,14,16,18(36),24,26,28(35),30,33-dodecaene-21-carbaldehyde
10,11,15,16,27-pentamethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.1¹⁴,¹⁸.1²⁴,²⁸.0³,⁸.0⁷,¹².0²²,³⁶]hexatriaconta-1(32),7(12),8,10,14,16,18(36),24,26,28(35),30,33-dodecaene-21-carbaldehyde
(1s,3r,5r,6as,7r,8s,9r,10r,10as)-1,3-bis(acetyloxy)-10-hydroxy-9-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl butanoate
(1s,3r,5r,6as,7r,8s,9r,10r,10as)-1,3-bis(acetyloxy)-10-hydroxy-9-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl butanoate
1,1',4,4',9,9'-hexamethoxy-3,3'-diphenyl-4h,4'h,5h,5'h,6h,6'h-2,2'-biphenalene
1,1',4,4',9,9'-hexamethoxy-3,3'-diphenyl-4h,4'h,5h,5'h,6h,6'h-2,2'-biphenalene
(12s,26s)-4,5,17,31-tetramethoxy-11,27-dimethyl-2,19,33,35-tetraoxa-11,27-diazaoctacyclo[24.10.1.1¹⁴,¹⁸.1²⁰,²⁴.0³,⁸.0⁷,¹².0³⁰,³⁷.0³²,³⁶]nonatriaconta-1(36),3(8),4,6,14,16,18(39),20,22,24(38),30(37),31-dodecaene
(12s,26s)-4,5,17,31-tetramethoxy-11,27-dimethyl-2,19,33,35-tetraoxa-11,27-diazaoctacyclo[24.10.1.1¹⁴,¹⁸.1²⁰,²⁴.0³,⁸.0⁷,¹².0³⁰,³⁷.0³²,³⁶]nonatriaconta-1(36),3(8),4,6,14,16,18(39),20,22,24(38),30(37),31-dodecaene
2,8,9,10-tetrakis(acetyloxy)-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2h,3h,4h,4ah,6h,7h,8h,9h,10h-cyclohexa[f]azulen-6-yl 3-phenylprop-2-enoate
2,8,9,10-tetrakis(acetyloxy)-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2h,3h,4h,4ah,6h,7h,8h,9h,10h-cyclohexa[f]azulen-6-yl 3-phenylprop-2-enoate
