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


and

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




INPUT WORD = C00012962 , 50% or more
[ Metabolite Name : Armexin , [3aS-(3aalpha,5abeta,6alpha,8alpha,9balpha)]-6,8-bis(acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one ]
Number of matched data : 58

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012249 [7S-(7R*,9R*,10E,11aS*)]-9-(acetyloxy)-3-[(acetyloxy)methyl]-5,6,7,8,9,11a-hexahydro-7-hydroxy-10-methyl-6-methylenecyclodeca[b]furan-2(4H)-one
1lapha-Hydroxyafraglaucolide		 94.34
C00012250 Achillolide B 94.34
C00011803 3beta-Acetoxyhaageanolide acetate 94.23
C00020506 8alpha-Acetoxyzaluzanin D 94.23
C00012254 [7R-(7R*,9S*,10E,11aR*)]-9-(Acetyloxy)-3-[(acetyloxy)methyl]-5,6,7,8,9,11a-hexahydro-7-hydroxy-10-methyl-6-methylenecyclodeca[b]furan-2(4H)-one
1beta-Hydroxyafraglaucolide		 92.45
C00003229 Chamissonin diacetate 92.31
C00011756 Millefin 92.31
C00011804 Sintenin 92.31
C00011805 Artemisiaglaucolide 92.31
C00011976 11,13-Dehydromelitensin diacetate 92.31
C00021066 Pulchellin diacetate
Diacetylpulchellin		 92.31
C00021092 Ligulatin C 92.31
C00013089 Eudesmaafraglaucolide
[5aR-(5aalpha,6alpha,8alpha,9abeta,9balpha)]-8-(Acetyloxy)-3-[(acetyloxy)methyl]-5,5a,6,7,8,9,9a,9b-octahydro-6-hydroxy-5a-methyl-9-methylenenaphtho[1,2-b]furan-2(4H)-one		 90.74
C00021072 Inuchinenolide C 90.74
C00021172 4-Acetylchamissonolide 90.74
C00012247 [7S-(5Z,7R*,9R*,10E,11aS*)]-9-(acetyloxy)-3-[(acetyloxy)methyl]-7,8,9,11a-tetrahydro-7-hydroxy-6,10-dimethylcyclodeca[b]furan-2(4H)-one
1alpha-Hydroxyisoafraglaucolide		 90.57
C00012253 [9S-(9R*,10E,11aS*)]-9-(Acetyloxy)-3-[(acetyloxy)methyl]-5,6,9,11a-tetrahydro-10-methyl-6-methylenecyclodeca[b]furan-2,7(4H,8H)-dione
Oxoafraglaucolide		 90.57
C00011823 Idomain 90.38
C00011866 Tagitinin E 90.38
C00021076 Cumanin diacetate 90.38
C00021690 Hysterin acetate 90.38
C00012958 Cyclocratystyolide
[2R-(2alpha,3abeta,5beta,6abeta,7aalpha,10abeta,10balpha,10cbeta)]-2-(Acetyloxy)decahydro-5-methoxy-5,10c-dimethyl-1,8-bis(methylene)-furo[3',2':3,4]naphtho[1,8-de][1,3]dioxin-9(1H)-one		 89.47
C00022664 8beta-Acetoxy-3beta-propionyloxyisocostic acid methyl ester 89.09
C00012986 Trichomatolide D
(3aR,4R,5aR,6R,9aS,9bR)-[partial]-Dodecahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 3-hydroxy-2-methylenebutanoic acid		 88.89
C00013087 Trichomatolide C
[3aR-[3aalpha,4beta(E),5abeta,6beta,8alpha,9bbeta]]- 2,3,3a,4,5,5a,6,7,8,9b-Decahydro-6,8-dihydroxy-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 2-methyl-2-butenoic acid		 88.89
C00021156 Tetraneurin F 88.89
C00021165 Hymenograndin 88.89
C00042125 3-epi-Heliangin
(-)-3-epi-Heliangin		 88.89
C00011984 [3aS-[3aalpha,4beta(Z),5beta,6alpha,7alpha,7abeta]]- 6-Ethenyl-5-(1-formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-butenoic acid 88.68
C00011992 Zinaflorin V 88.68
C00013025 Badkhysinin
[3aS-[3aalpha,5abeta,6alpha(Z),6abeta,7abeta,8aalpha,8bbeta]]-Dodecahydro-5a-methyl-3,8-bis(methylene)-2-oxooxireno[6,7]naphtho[1,2-b]furan-6-yl ester 2-methyl-2-butenoic acid		 88.68
C00011764 Melampodin B 88.46
C00011784 Carmelin 88.46
C00011814 Zexbrevin D 88.46
C00011856 Tagitinin C 88.46
C00011865 Erioflorin 88.46
C00011882 1,2-Dehydrozexbrevin 88.46
C00011977 Isoarbutifolin 88.46
C00012045 Micordilin 88.46
C00012248 [7R-(7R*,9S*,10E,11aR*)]- 9-(Acetyloxy)-5,6,7,8,9,11a-hexahydro-7-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylenecyclodeca[b]furan-2(4H)-one,
13-Desacetyl-1alpha-hydroxyafraglaucolide		 88.46
C00012299 Arcotiopicrin
Orientin (sesquiterpene)		 88.46
C00012359 Scandenolide 88.46
C00012874 Pulchellin F
[3aR-[3aalpha,4aalpha,6beta,7alpha(Z),8abeta,9aalpha]]-Dodecahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)-2-oxonaphtho[2,3-b]furan-7-yl ester 2-methyl-2-butenoic acid		 88.46
C00020486 8-Acetoxy-4-anhydroathamontanolide 88.46
C00021787 13beta,14-Diacetoxy-9(12)-capnellene-8beta,10alpha-diol 88.46
C00038777 Cinnamodial 11alpha,12beta-dimethyl acetal
(-)-Cinnamodial 11alpha,12beta-dimethyl acetal		 88.46
C00039373 Hispitolide B 88.46
C00013085 [5aR-(5aalpha,6alpha,8alpha,9beta,9abeta,9balpha)]-8-(Acetyloxy)-3-[(acetyloxy)methyl]-5,5a,6,7,8,9,9a,9b-octahydro-6,9-dihydroxy-5a,9-dimethylnaphtho[1,2-b]furan-2(4H)-one 87.50
C00011789 Peucephyllin 87.27
C00012140 Tagitinin B 87.04
C00012143 2,3,3a,4,5,6,7,8,9,11a-Decahydro-9-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid 87.04
C00013086 Trichomatolide B
[3aR-[3aalpha,4beta(E),5abeta,6beta,8alpha,9aalpha,9bbeta]]-Dodecahydro-6,8-dihydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester 2-methyl-2-butenoic acid		 87.04
C00013090 Trichomatolide A
[4R-[4alpha(E),5aalpha,6alpha,9abeta,9balpha]]-2,4,5,5a,6,7,8,9,9a,9b-Decahydro-6-hydroxy-3-(hydroxymethyl)-5a-methyl-9-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 2-methyl-2-butenoic acid		 87.04
C00013234 (-)-Tirotundifolin B
Tirotundifolin B
(3aR,4R,5aR,6R,9bS)-[partial]-2,3,3a,4,5,5a,6,7,8,9b-Decahydro-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 3-hydroxy-2-methylenebutanoic acid		 87.04
C00021160 Tetraneurin C 87.04
C00021170 Pulchelloid C 87.04
C00030653 Leucasdin B
(-)-Leucasdin B		 87.04
C00035790 3,15-Di-O-acetyl-9beta-hydroxyamphoricarpolide 87.04
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