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


and

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




INPUT WORD = C00011861 , 50% or more
[ Metabolite Name : (3aR,4R,6E,10E,11aR)-10-[(Acetyloxy)methyl]-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012272 Linearilobin B 96.61
C00003231 Chromolaenide 94.92
C00003274 Eupaserrin 94.92
C00012193 3-Desacetoxyursiniolide B 94.92
C00012271 Linearilobin A 94.92
C00012227 5-(Acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid 93.44
C00003382 Ursiniolide A 93.33
C00003275 Eupatocunin 93.22
C00011792 Hiyodorilactone B 93.22
C00012192 [3aR-[3aR*,4R*(E),6E,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-[(acetyloxy)methyl]-2-butenoic acid 93.22
C00012274 Linearilobin D 93.22
C00012279 Linearilobin I 93.22
C00030229 Eupasimplicin A 93.22
C00032953 Eupaglehnin B 93.22
C00043500 Eupachinilide I
(+)-Eupachinilide I		 93.22
C00011790 Hiyodorilactone E
Santhemoidin C		 91.80
C00011854 Acanthoglabrolide 91.80
C00012273 Linearilobin C 91.80
C00000169 1beta,10alpha-Epoxy-8beta-hydroxy-14-acetoxy-4E,11(13)-germacradien-12,6-olide 91.67
C00011807 8-(2R,3R,Epoxy-2-methylbutanoyl)-8alpha,9beta-dihydroxy-1(10)E,4E,11(13)-germacratrien-12,6beta-olide 91.67
C00003260 Acetylerioflorin
Erioflorin acetate		 91.53
C00011763 Melnerin B 91.53
C00012228 6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-5-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid 91.53
C00012275 Linearilobin E 91.53
C00021687 Salonitenolide 8-O-acetyl sarracinate 91.53
C00034537 Hierapolitanin B
(+)-Hierapolitanin B		 91.53
C00012216 (-)-Ixerin B
Ixerin B		 90.32
C00003270 Eupaformosanin 90.16
C00011771 (-)-Ursanthemolide
Ursanthemolide		 90.16
C00011788 Hiyodorilactone D 90.16
C00011855 Acanthospermal B 90.16
C00012302 [3aR-[3aR*,4R*(Z),6S*,9R*,10E,11aR*]]-9-(Acetyloxy)-2,3,3a,4,5,6,7,8,9,11a-decahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid
3alpha-Acetoxytrichomoriolide		 90.16
C00036566 4'-Acetylcnicin 90.16
C00043501 Eupachinilide J
(+)-Eupachinilide J		 90.16
C00011876 Marginatin 90.00
C00012186 (+)-Picriside C
Picriside C		 90.00
C00035783 15-O-Isovaleroyl-3beta-O-acetyl-2alpha-hydroxyamphoricarpolide 90.00
C00003266 Eupacunin 89.83
C00003313 Laserolide 89.83
C00003391 Viguiestenin 89.83
C00011747 Nudaphantin 89.83
C00011789 Peucephyllin 89.83
C00011819 Amarin 89.83
C00011869 Viguiestin 89.83
C00011986 [3aS-[3aalpha,4beta(Z),5beta,6alpha,7alpha,7abeta]]-7-(Acetyloxy)-6-ethenyl-5-(1-formylethenyl)octahydro-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-butenoic acid 89.83
C00011987 [3aS-[3aalpha,4beta,5beta,6alpha,7alpha(Z),7abeta]]-4-(Acetyloxy)-6-ethenyl-5-(1-formylethenyl)octahydro-6-methyl-3-methylene-2-oxo-7-benzofuranyl ester 2-methyl-2-butenoic acid 89.83
C00012146 3-O-Methyltithonin 89.83
C00012225 Isorolandrolide 89.83
C00012233 Orientalide 89.83
C00012267 2,3,3a,4,5,8,9,11a-Octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid 89.83
C00012278 Linearilobin H 89.83
Page Top