"Twins" retrives similar metabolites in chemical structure.
last update : 2020.01.06
KNApSAcK CID : ex.) C00000001


and

Similarity (%) : ex.) 98
% or more




INPUT WORD = C00013201 , 50% or more
[ Metabolite Name : Mortonin C , (5alpha,5abeta,6beta,9alpha,9abeta)-5,6-bis(Benzoyloxy)-5,5a,6,7,8,9-hexahydro-9-hydroxy-2,2,5a,9-tetramethyl-1-benzoxepin-9a(2H)-carboxylic acid ]
Number of matched data : 54

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00013202 Mortonin D
(3alpha,4beta,6alpha,6abeta,7beta,10alpha,10aalpha)-10-Tetramethyl-6,7-bis(benzoyloxy)octahydro-10-hydroxy-3,4,6a 3H-3,10a-epoxy-1H-2-benzoxocin-1-one		 96.15
C00013178 (+)-Triptofoldin B
TWHR 2
Triptofoldin B
Triptofordin B
[3R-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 5,6-dibenzoate 2H-3,9a-methano-1-benzoxepin-5,6,9,10-tetrol		 96.10
C00013180 Mortonol A
[3S-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha)]-5,6-bis(Benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-one		 96.10
C00013189 (+)-Triptofordin A
Triptofordin A
[3R-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha)]-6-(Benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-phenyl-2-propenoic acid		 91.03
C00013174 Vaalens 5
[3R-[3alpha,5beta(E),5aalpha,6alpha,9beta,9aalpha,10R*]]-10-(Acetyloxy)octahydro-9-hydroxy-6-[(hydroxyacetyl)oxy]-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-phenyl-2-propenoic acid		 88.31
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		 88.10
C00013184 Ejap 2
[3R-(3alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]- 5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5,6,10-triol 6,10-diacetate 5-benzoate		 87.01
C00037965 Tubacetine 87.01
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 86.08
C00013173 [3R-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5,6,9,10-tetrol 5,10-diacetate 6-benzoate 86.08
C00024036 Scuterivulactone A 85.90
C00013151 [3R-(3a,4b,5a,5aa,6a,9b,9aa,10R*)]-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-Methano-1-benzoxepin-4,5,6,9,10-pentol 5-acetate 6-benzoate 85.71
C00013170 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 5,10-diacetate 6-benzoate H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 85.71
C00045042 Reissantin E 85.71
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 84.81
C00013177 Ejap 10
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 6,10-diacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,10-tetrol		 84.81
C00040183 Salasol A 84.81
C00015122 Phenylpyropene B 84.62
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 84.52
C00013200 Mortonin B
(5alpha,5aalpha,6alpha,7beta,9beta,9aalpha)-7-(Acetyloxy)-6-(benzoyloxy)-5,5a,6,7,8,9-hexahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-5,9a-(epoxymethano)-1-benzoxepin-10-one		 84.42
C00040854 9-Deacetyl-9-benzoyl-10-debenzoylbrevifoliol
(+)-9-Deacetyl-9-benzoyl-10-debenzoylbrevifoliol		 84.42
C00049220 Malayenolide B
(+)-Malayenolide B		 84.42
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		 84.15
C00038716 Celahin C 83.54
C00039467 Itoside H
(-)-Itoside H		 83.54
C00025130 Stephavanine 83.33
C00013185 Ejap 7
[3R-(3alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 83.12
C00014399 Sanggenol H 83.12
C00025124 Stephabenine
N,O-Dimethylstephine benzoate		 83.12
C00031700 Cucurbitoside C
(-)-Cucurbitoside C		 83.12
C00045041 Reissantin D 83.12
C00049023 Uvarigranol I 83.12
C00046246 Orbiculin A 82.95
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 82.72
C00025751 4'-O-Methylstephavanine 82.50
C00035938 3-O-Deacetylorthosiphol I
(-)-3-O-Deacetylorthosiphol I		 82.28
C00039465 Itoside F
(-)-Itoside F		 82.28
C00039466 Itoside G
(-)-Itoside G		 82.28
C00013179 Eumaitenol
[3R-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha,10R*)]-6-(Acetyloxy)octahydro-9-hydroxy-2,2,5a,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5,10-diyl ester 3-furancarboxylic acid		 82.05
C00044973 Orthosiphol C
(-)-Orthosiphol C		 82.05
C00011347 Cytochalasin Ppho 81.82
C00031702 Cucurbitoside E
(-)-Cucurbitoside E
Seguinoside C		 81.82
C00040446 Tasumatrol U 81.82
C00046237 Oncostemonol F 81.82
C00046247 Orbiculin D
(+)-Orbiculin D		 81.82
C00046617 Anthoptilide D
(+)-Anthoptilide D		 81.82
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 81.48
C00046212 Norstaminone A 81.25
C00031269 Salasol B 81.11
C00023742 Stemphone 81.01
C00031698 Cucurbitoside A 81.01
C00039464 Itoside E
(-)-Itoside E		 81.01
C00042425 Cucurbitoside M
(-)-Cucurbitoside M		 81.01
C00043022 Stephalonine B
(+)-Stephalonine B		 81.01
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