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


and

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




INPUT WORD = C00013200 , 50% or more
[ Metabolite Name : 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 ]
Number of matched data : 59

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00045041 Reissantin D 94.03
C00013199 Mortonin
Mortonin A
(5alpha,5aalpha,6alpha,9beta,9aalpha)-6-(Benzoyloxy)-5,5a,6,7,8,9-hexahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-5,9a-(epoxymethano)-1-benzoxepin-10-one		 88.06
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 87.67
C00012768 Rupestrol cinnamate 86.57
C00013186 (-)-Malkangunin
Malkangunin
Malkanguniol 4-acetate 5-benzoate
[3S-(3alpha,4beta,5beta,5aalpha,6alpha,9alpha,9aalpha)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6-triol 4-acetate 5-benzoate		 86.57
C00045042 Reissantin E 86.30
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 85.33
C00013098 Vernodesmin
[3aR-(3aalpha,4alpha,5aalpha,6beta,9beta,9aalpha,9bbeta,12R*)]-Octahydro-6,12-dihydroxy-3-methylene-2-oxo-9-phenyl-6H-5a,9-propano-2H-furo[2,3-f][2]benzopyran-4-yl ester 2-methyl-2-propenoic acid		 85.29
C00012794 Ivanuol
[1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 2-acetate 5-benzoate		 85.07
C00012795 [1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 1,2-diacetate 5-benzoate 85.07
C00036823 Boesenboxide
(+)-Boesenboxide		 85.07
C00040871 Angustisepalin
(-)-Angustisepalin		 85.07
C00046298 Pharacine 85.07
C00047532 Oligandriortholactone
(+)-Oligandriortholactone		 85.07
C00013188 [3R-[3alpha,5beta,5aalpha,6alpha(E),7alpha,9alpha,9aalpha]]-5,7-bis(Acetyloxy)octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-6-yl ester 3-phenyl-2-propenoic acid 84.93
C00013201 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		 84.42
C00000896 Scopadulin 83.82
C00029527 4-epi-Scopadulcic acid B 83.82
C00015355 Kitamycin B 83.58
C00021461 Melleolide C 83.58
C00021765 Dunnianin 83.58
C00040565 Triptogelin G-2 83.58
C00050368 Insulicolide A
(-)-Insulicolide A		 83.58
C00011060 Lactiflorin 83.10
C00032311 Teucrolivin A
(+)-Teucrolivin A		 82.86
C00048490 Neocaesalpin R
(+)-Neocaesalpin R
 82.86
C00035963 CID is old! 82.61
C00037396 Kuhistanicaol A
(+)-Kuhistanicaol A		 82.61
C00000895 Scopadulcic acid B 82.35
C00037821 Sibirioside A 82.35
C00043678 Luzonoid A
(+)-Luzonoid A		 82.35
C00045255 Cascarillin G
(+)-Cascarillin G		 82.35
C00047956 Latilagascene F
(-)-Latilagascene F		 82.35
C00010721 Undulatin 82.09
C00012066 Ligularinone A 82.09
C00012075 Cinnamoylepoxyechinadiol 82.09
C00012307 Calein B 82.09
C00012476 6,10,10-Trimethylspiro[bicyclo[7.2.0]undec-5-ene-2,2'-oxirane]-4,8-diol 4-acetate 8-benzoate 82.09
C00012826 [1R-[1alpha(E),2alpha,4abeta,5beta,8alpha,8aalpha]]- 1,2,3,4,4a,5,8,8a-Octahydro-8-hydroperoxy-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenyl ester 3-phenyl-2-propenoic acid 82.09
C00016784 Urauchimycin A 82.09
C00020561 Malaphylinin
Diversolide D
(-)-Diversolide D		 82.09
C00021350 8-Feruloyloxy-14-thapsanol 82.09
C00021383 Pallidin (sesquiterpene) 82.09
C00021407 Palliferin 82.09
C00021408 Palliferinin 82.09
C00021466 Melledonal B 82.09
C00022386 Isoleosibirin 82.09
C00023343 Methoxynepetaefolin 82.09
C00029275 (-)-3'-Methoxy specinonin 82.09
C00030160 Dulcinol
Scopadulciol		 82.09
C00030526 Isofeterin 82.09
C00031042 Piscrocin G
(-)-Piscrocin G		 82.09
C00031506 15beta-Methoxyfaciculatin
(-)-15beta-Methoxyfaciculatin		 82.09
C00033868 Gelomulide T
(-)-Gelomulide T		 82.09
C00044731 Dulcidiol
(-)-Dulcidiol		 82.09
C00044732 Dulcinol
Scopadulciol		 82.09
C00046684 Comnostin E
(+)-Comnostin E		 82.09
C00046851 Phyllaemblic acid
(+)-Phyllaemblic acid		 82.09
C00050323 7-Deoxy-7-oxodunnianin
(-)-7-Deoxy-7-oxodunnianin		 82.09
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