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


and

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




INPUT WORD = C00012199 , 50% or more
[ Metabolite Name : Herbolide B ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011755 Herbolide D 97.83
C00013002 Torrentin
[3S-(3alpha,3aalpha,5abeta,6beta,8beta,9bbeta)]-8-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one		 95.65
C00020887 Neogaillardin
Pleniradin acetate		 95.65
C00033647 Anthemolide C 93.75
C00003288 Gaillardin 93.48
C00003343 Ovatifolin 93.48
C00011783 Chihuahuin 93.48
C00012978 gamma-Liriodenolide
[3aR-(3aalpha,4beta,5abeta,6beta,9bbeta)]-4-(acetyloxy)-3a,4,5,5a,6,7,8,9b-Octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 93.48
C00012982 beta-Liriodenolide
[3aR-(3aalpha,4beta,5abeta,6beta,9aalpha,9bbeta)]-4-(Acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-naphtho[1,2-b]furan-2(3H)-one		 93.48
C00012993 [3aR-(3aalpha,5abeta,7alpha,9balpha)]-7-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-3a-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one 93.48
C00013048 [3aS-(3aalpha,5beta,5abeta,9balpha)]-5-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
9beta-Acetoxytournefortiolide		 93.48
C00020930 6alpha-Acetoxy-4alpha-hydroxy-9,11(13)-guaiadien-12,8alpha-olide 93.48
C00022656 3alpha-Hydroxy-8alpha-acetoxy-3-desoxo-11beta,13-dihydroparishin A 91.67
C00003392 Viscidulin B 91.49
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		 91.49
C00020620 8alpha-Acetoxy-1beta,10beta-epoxy-3,11(13)-guaiadien-12,6alpha-olide 91.49
C00020741 2-Acetylzafronic acid 91.49
C00020747 [1R-(1alpha,4alpha,4aalpha,6alpha,8aalpha)]-6-(Acetyloxy)-1,2,3,4,4a,5,6,8a-octahydro-4-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester 91.49
C00020895 Calocephalin acetate 91.49
C00020896 Maxicanin G 91.49
C00000236 Pyrethrosine 91.30
C00000313 Xanthinin 91.30
C00011757 (+)-Heliangolidin
Heliangolidin		 91.30
C00012198 Herbolide A 91.30
C00012390 Calbertolide A 91.30
C00012838 9beta-Acetoxy-4,5-dehydro-4(15)-dihydrocostic acid
[2S-(2alpha,4alpha,4aalpha)]-4-(acetyloxy)-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid		 91.30
C00012864 [3aR-(3aalpha,7alpha,8beta,8abeta,9abeta)]-7-(acetyloxy)-3a,4,6,7,8,8a,9,9a-octahydro-8-hydroxy-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
2alpha-Acetoxy-8-epiivangustin		 91.30
C00012869 Dihydro-beta-cyclopyrethrosin
[3R-(3alpha,3aalpha,4alpha,4aalpha,8beta,8abeta,9abeta)]-4-(Acetyloxy)decahydro-8-hydroxy-3,8a-dimethyl-5-methylene-naphtho[2,3-b]furan-2(3H)-one		 91.30
C00012872 Pulchellin B
[3aR-(3aalpha,4aalpha,6beta,7alpha,8abeta,9aalpha)]-7-(Acetyloxy)decahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one		 91.30
C00012922 Acetoxydiplophyllin
[3aS-(3aalpha,8abeta,9beta,9aalpha)]-9-(Acetyloxy)-3a,4,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 91.30
C00012997 Nitrosin
[3R-(3alpha,3abeta,5aalpha,6alpha,9abeta,9balpha)]-6-(Acetyloxy)decahydro-9a-hydroxy-3,5a-dimethyl-9-methylenenaphtho[1,2-b]furan-2(3H)-one		 91.30
C00020343 Inuchinenolide A 91.30
C00020472 Michefuscalide
beta-Cyclolipiferolide		 91.30
C00020476 Achillicin 91.30
C00020478 Cumambrin A 91.30
C00020480 Dihydrocumambrin A 91.30
C00020515 Kandavanolide
8beta-Hydroxyzaluzanin D		 91.30
C00020882 Inuchinenolide B 91.30
C00021069 6-Deoxychamissonolide 91.30
C00021071 Stevin 91.30
C00021094 4-Acetoxyrudmollin 91.30
C00021095 15-Acetoxyrudmollin 91.30
C00021700 9beta-Propionyloxy costunolide 91.30
C00030486 Hiyodorilactone C 91.30
C00034392 3-Oxa-achillicin
8-Acetylegeloide		 91.30
C00034766 CID is old! 91.30
C00035781 15-O-Acetylamphoricarpolide 91.30
C00041308 Acetyl neobritannilactone B 91.30
C00012391 Calbertolide B 89.58
C00033606 9alpha-Acetoxycumambrin B 89.58
C00033645 Anthemolide A 89.58
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