"Twins" retrives similar metabolites in chemical structure.
|
|
|
"Twins" retrives similar metabolites in chemical structure. |
| last update : 2020.01.06 |
| INPUT WORD = C00013160 , 50% or more |
|
| [ Metabolite Name : Rzedowskin D , [3R-[3alpha,5beta,5aalpha,6alpha(E),7beta,9beta,9aalpha,10R*]]-5-(Acetyloxy)octahydro-7,9-dihydroxy-2,2,5a,9-tetramethyl-6-[(1-oxo-3-phenyl-2-propenyl)oxy]-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid ] | |
| Number of matched data : 56 | |
| CID | Metabolite Name | Structural formula | Metabolite Activity | Similarity (%) |
|---|---|---|---|---|
| C00013169 | [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-4,5-bis(Acetyloxy)-6-(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid |  |
94.44 | C00013163 | Maymyrsine [3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-7-(benzoyloxy)octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid |
 |
93.33 | C00013168 | [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5-(Acetyloxy)-6-(benzoyloxy)octahydro-4,9-dihydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid |  |
93.18 | C00013167 | Cathedulin 8 Cathedulin E 8 Catheduline E 8 (3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha)-[6,7-bis(Acetyloxy)-5-(benzoyloxy)octahydro-4-hydroxy-2,2,9-trimethyl-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester 3-pyridinecarboxylic acid |
 |
91.11 | C00013133 | Cathidine D |  |
90.22 | C00046246 | Orbiculin A |  |
89.77 | C00046248 | Orbiculin E (+)-Orbiculin E |
 |
89.77 | C00045038 | Reissantin A |  |
89.36 | C00049534 | Taxezopidine F (-)-Taxezopidine F |
 |
88.64 | C00013134 | (-)-Triptofordin C 2 Triptofordin C 2 |
 |
88.04 | C00013135 | (-)-Triptofordin C 1 Triptofordin C 1 |
 |
88.04 | C00013154 | [3S-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol, 5-acetate 4,6-dibenzoate |  |
88.04 | C00031269 | Salasol B |  |
87.78 | C00013143 | Ejap 12 [3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 5,7,10-triacetate 4-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol |
 |
87.50 | C00013153 | [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 4,5,10-triacetate 6-benzoate |  |
87.50 | C00013162 | Mortonol B [3S-(3alpha,5beta,5aalpha,6alpha,7beta,9beta,9aalpha)]-7-(Acetyloxy)-5,6-bis(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-one |
 |
87.50 | C00013164 | Acetylmaymyrsine Maymyrsine acetate [3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-7-(benzoyloxy)octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid |
 |
87.50 | C00013182 | Celapanigine Celapagine 4-acetate 4,6-bis(Acetyloxy)-10-(benzoyloxy)octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid |
 |
87.50 | C00044345 | Taxuspinanane H |  |
87.50 | C00013136 | Pringlein |  |
86.96 | C00035056 | Barbatin B (-)-Barbatin B |
 |
86.52 | C00001968 | Celapanine |  |
 |
86.36 | C00036003 | 2-Deacetoxytaxinine J |  |
86.36 | C00041184 | Taxuspinanane B (+)-Taxuspinanane B |
 |
85.71 | C00013156 | Triptofordin D 1 [3R-(3alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-4-oxo-2H-3,9a-methano-1-benzoxepin-6-yl ester 3-phenyl-2-propenoic acid |
 |
85.42 | C00013128 | Maytoline |  |
85.39 | C00028289 | Gagaminin Gagaminine |
 |
85.26 | C00013147 | [3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-, 4,6,7,10-tetraacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol |  |
85.23 | C00013172 | Acetyleumaitenol [3R-(3alpha,4alpha,5beta,8aalpha,6alpha,9beta,9aalpha,10R*)]-4,6-bis(Acetyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5,10-diyl ester 3-furancarboxylic acid |
 |
85.23 | C00037889 | Taxinine NN-7 (+)-Taxinine NN-7 |
 |
85.23 | C00038740 | Chinentaxunine (+)-Chinentaxunine |
 |
85.23 | C00041163 | Taxine B |  |
85.23 | C00043622 | Isotaxine B |  |
85.23 | C00049530 | Taxayuntin B |  |
85.23 | C00013142 | Ejap 5 [3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 5,6,7,10-tetraacetate 4-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol |
 |
84.95 | C00016859 | FO 1289C Pyripyropene C |
 |
84.44 | C00029592 | 7-O-Nicotinoylscutebarbatine H |  |
84.27 | C00013139 | Maytine |  |
84.09 | C00013155 | [3S-(3alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-6-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-4H-3,9a-methano-1-benzoxepin-4-one |  |
84.09 | C00013161 | Rzedowskin A 5,7-bis(Acetyloxy)octahydro-9,10-dihydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-6-yl ester 3-phenyloxiranecarboxylic acid |
 |
84.09 | C00013166 | [3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 6,7,10-triacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-5,6,7,10-tetrol |  |
84.09 | C00013183 | Deacetylcelapanigine Celapagine 6-(Acetyloxy)-10-(benzoyloxy)octahydro-4-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid |
 |
84.09 | C00031326 | Scutebarbatine C (-)-Scutebarbatine C |
 |
84.09 | C00045827 | Dantaxusin B (-)-Dantaxusin B |
 |
84.09 | C00041152 | Taxchinin A |  |
83.52 | C00039807 | Mutangin |  |
83.33 | C00046249 | Orbiculin F (+)-Orbiculin F |
 |
83.16 | C00031335 | Scutebarbatine L (-)-Scutebarbatine L |
 |
83.15 | C00041172 | Taxuchin B |  |
83.15 | C00013152 | [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 5,10-diacetate 6-benzoate |  |
82.95 | C00013165 | [3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-, 6,7,10-triacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-5,6,7,10-tetrol |  |
82.95 | C00013171 | [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 4,5,10-triacetate 6-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol |  |
82.95 | C00015121 | Phenylpyropene A |  |
82.95 | C00025019 | Tadzhaconine Anthoroidine Tadjaconine Tadzhakonine |
 |
82.95 | C00033982 | Ixerisoside G |  |
82.95 | C00044275 | Paeonidaninol A |  |
82.95 |