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


and

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




INPUT WORD = C00013172 , 50% or more
[ Metabolite Name : 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 ]
Number of matched data : 66

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00001968 Celapanine 95.35
C00046248 Orbiculin E
(+)-Orbiculin E		 91.86
C00013176 Ejap 14
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]-4,6,10-tris(Acetyloxy)-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 90.70
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		 90.70
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 89.66
C00013128 Maytoline 88.76
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		 88.64
C00013175 Ejap 3
2[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]- 5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-H-3,9a-methano-1-benzoxepin-4,5,6,10-tetrol 4,6,10-triacetate 5-benzoate		 88.37
C00046247 Orbiculin D
(+)-Orbiculin D		 88.37
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 87.78
C00013139 Maytine 87.36
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 87.36
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 87.21
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 87.21
C00013181 Eumaitenin
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]-4,6,10-tris(Acetyloxy)octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-furancarboxylic acid		 87.21
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		 87.21
C00040183 Salasol A 87.21
C00042050 13-Deacetoxybaccatin I 87.21
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 86.05
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		 86.05
C00031077 Praelolide
(-)-Praelolide		 86.05
C00039508 Juncin Z
(+)-Juncin Z		 86.05
C00043211 5-Decinnamoyltaxuspine D
(+)-5-Decinnamoyltaxuspine D		 86.05
C00046454 Taxumairol W
(-)-Taxumairol W		 86.05
C00049840 Stecholide L 86.05
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		 85.56
C00042996 Severinolide
(+)-Severinolide		 85.39
C00013160 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		 85.23
C00045158 16-Acetoxymilolide M
(+)-16-Acetoxymilolide M		 85.23
C00046246 Orbiculin A 85.23
C00045038 Reissantin A 85.11
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		 85.06
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 84.88
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		 84.88
C00029856 Briaexcavatin P
(+)-Briaexcavatin P
4-O-Acetyl-4-O-debutyrylbriaexcavatolide P		 84.88
C00040755 10,13-Deacetyl abeobaccatin IV
(-)-10,13-Deacetyl abeobaccatin IV		 84.88
C00046947 Taxuyunnanine L
(-)-Taxuyunnanine L		 84.88
C00044343 Taxayuntin H
(-)-Taxayuntin H		 84.27
C00049377 Excavatolide K
(+)-Excavatolide K		 84.27
C00036790 Baccatin III
(-)-Baccatin III		 84.09
C00039507 Juncin Y
(+)-Juncin Y		 84.09
C00045347 Milolide J
(+)-Milolide J		 84.09
C00049536 Taxuspinanane D 84.09
C00038136 12beta-Acetoxyharrisonin 83.91
C00012283 [3aS-[3aR*,4R*(Z),5R*,6E,11R*,11aR*]]-11-(Acetyloxy)-4-[[2-[(acetyloxy)methyl]-1-oxo-2-butenyl]oxy]-2,3,3a,4,5,8,9,10,11,11a-decahydro-3,10-bis(methylene)-5-(2-methyl-1-oxopropoxy)-2-oxo-, methyl ester cyclodeca[b]furan-6-carboxylic acid 83.72
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 83.72
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		 83.72
C00030570 Junceol H 83.72
C00031588 Ajugapantin A 83.72
C00033404 Taxayuntin G
(+)-Taxayuntin G		 83.72
C00033522 11beta-Acetoxyobacunyl acetate 83.72
C00040491 Tinosposinenside B
(-)-Tinosposinenside B		 83.72
C00042320 Briarlide P
(+)-Briarlide P		 83.72
C00043210 5alpha-Decinnamoyltaxigifine 83.72
C00043212 5-epi-Canadensene 83.72
C00044593 Briarlide G
(-)-Briarlide G		 83.72
C00045313 Erythrolide O
(+)-Erythrolide O		 83.72
C00045345 Milolide H
(+)-Milolide H		 83.72
C00045529 1-O-Acetylkhayanolide A
Khayanolide A 1-acetate		 83.72
C00045591 7-Isovaleroylcycloseverinolide
(+)-7-Isovaleroylcycloseverinolide		 83.72
C00045699 Briaexcavatolide K
(-)-Briaexcavatolide K		 83.72
C00046394 Scuterulein C
(-)-Scuterulein C		 83.72
C00048258 CID is old! 83.72
C00048709 Excavatolide C
(-)-Excavatolide C		 83.72
C00049437 CID is old! 83.72
C00049869 CID is old! 83.72
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