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


and

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




INPUT WORD = C00020864 , 50% or more
[ Metabolite Name : [3aS-(3aalpha,4alpha,5alpha,9beta,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid ]
Number of matched data : 52

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00020862 [3aS-(3aalpha,4alpha,5alpha,9alpha,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid 100.00
C00020865 [3aS-(3aalpha,4alpha,5alpha,9beta,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylbutanoic acid 95.00
C00020487 [3aS-(3aalpha,4alpha,5alpha,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid 93.10
C00020558 Olgin (sesquiterpene) 93.10
C00020863 [3aS-(3aalpha,4alpha,5alpha,9beta,9aalpha,9bbeta)]-4,5-Bis(acetyloxy)-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one 93.10
C00020868 [3aS-[3aalpha,4alpha,5beta(Z),9beta,9aalpha,9bbeta]]-4-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid 91.67
C00012225 Isorolandrolide 91.53
C00012312 Caleurticolide acetate 91.53
C00020861 [3aS-(3aalpha,4alpha,5alpha,9alpha,9aalpha,9bbeta)]-4,5-Bis(acetyloxy)-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one 91.38
C00023177 Eupalinilide A 91.38
C00033602 8-O-Isobutyryl-9alpha-Acetoxycumambrin B 91.38
C00012087 [3aS-(3aR*,4R*,5R*,6S*,10R*,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid 90.00
C00020867 [3aS-[3aalpha,4alpha,5beta(Z),9alpha,9aalpha,9bbeta]]-4-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid 90.00
C00045942 Ferupennin K
(-)-Ferupennin K		 90.00
C00012308 Calein C 89.83
C00049590 Neurolenin G 89.83
C00011869 Viguiestin 89.66
C00020866 Heliopsolide
[3aR-[3aalpha,4alpha,5beta(Z),9alpha,9aalpha,9bbeta]]-2,3,3a,4,5,9,9a,9b-Octahydro-4,9-dihydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid		 89.66
C00043498 Eupachinilide G
(-)-Eupachinilide G		 89.66
C00020564 Skutchiolide B 88.89
C00033603 8-O-Isobutyryl-9-O-acetylanthemolide B
(-)-8-O-Isobutyryl-9-O-acetylanthemolide B		 88.71
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 88.52
C00011807 8-(2R,3R,Epoxy-2-methylbutanoyl)-8alpha,9beta-dihydroxy-1(10)E,4E,11(13)-germacratrien-12,6beta-olide 88.33
C00020560 Ferolide 88.33
C00045941 Ferupennin J
(+)-Ferupennin J		 88.33
C00045945 Ferupennin N
(+)-Ferupennin N		 88.33
C00011747 Nudaphantin 88.14
C00011861 (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 88.14
C00012233 Orientalide 88.14
C00003230 Centaurepensin
Chlorohyssopifolin A		 87.93
C00003260 Acetylerioflorin
Erioflorin acetate		 87.93
C00011746 Orthopappolide methacrylate 87.93
C00011819 Amarin 87.93
C00020486 8-Acetoxy-4-anhydroathamontanolide 87.93
C00020570 8beta-Tiglinoyloxy-2-oxo-ludartin 87.93
C00021163 15-Desacetyltetraneurin C isobutyrate 87.93
C00022605 Tomenphantopin A 87.93
C00037555 Niveusin A 2-methylbutyrate 87.93
C00040851 8,9-di-O-Acetylanthemolide B
(-)-8,9-di-O-Acetylanthemolide B		 87.93
C00043494 Eupachinilide A
(-)-Eupachinilide A		 87.93
C00043495 Eupachinilide B
(-)-Eupachinilide B		 87.93
C00043496 Eupachinilide D
(-)-Eupachinilide D		 87.93
C00030485 Hispidunolide A 87.30
C00020553 Oferin 87.10
C00020589 Berlandin 86.89
C00049591 Neurolenin H 86.89
C00011876 Marginatin 86.67
C00020464 Anomalide 86.67
C00020555 Laferin 86.67
C00033604 8-O-Tigloyl-9alpha-acetoxycumambrin B 86.67
C00035783 15-O-Isovaleroyl-3beta-O-acetyl-2alpha-hydroxyamphoricarpolide 86.67
C00049926 1-Acetyltagitinin A 86.67
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