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


and

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




INPUT WORD = C00012413 , 50% or more
[ Metabolite Name : 8beta-Tigloyloxy-2,3-seco-4Z,11(13)-heliangadiene-3,10beta:6,12-diolid-2-oic acid ]
Number of matched data : 69

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003338 Niveusin C 94.74
C00012136 Tifruticin 94.74
C00012134 Niveusin A 93.10
C00012416 Salvifoliolide 93.10
C00011750 Liscundin 92.98
C00012240 [3aS-[3aR*,4R*(Z),5R*,6R*,9S*,10E,11aS*]]-2-Methyl-, 2,3,3a,4,5,6,7,8,9,11a-decahydro-5,6,9-trihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-butenoic acid 92.98
C00042506 Eupakirunsin D
(-)-Eupakirunsin D		 92.98
C00042507 Eupakirunsin E
(-)-Eupakirunsin E		 92.98
C00012137 15-Hydroxy-3-dehydrotifruticin 91.38
C00020460 Eupachifolin E 91.38
C00003226 Budlein A 91.23
C00011990 [3aS-[3aalpha,4beta(Z),5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-4-benzofuranyl ester 2-methyl-2-butenoic acid 91.23
C00012092 Lychnophorolide A
Centratherin		 91.23
C00012145 Tithonin 91.23
C00012147 Niveusin B 91.23
C00012153 (-)-Argophyllone B
Argophyllone B		 91.23
C00012301 [3aR-[3aR*,4R*(Z),6S*,9R*,10E,11aR*]]-2,3,3a,4,5,6,7,8,9,11a-Decahydro-6,9-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid
3alpha-Hydroxytrichomoriolide		 91.23
C00012316 [3aS-[3aR*,4R*(Z),5R*,6R*,10E,11aS*]]-2,3,3a,4,5,6,7,8,9,11a-Decahydro-5,6-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid 91.23
C00020574 9-beta-Hydroxy-8beta-tiglinoyloxy-2-oxo-ludartin 91.23
C00020698 Agriantholide 91.23
C00020702 [3aR-[3aalpha,4beta(S*),6alpha,6aalpha,7beta,7abeta,8abeta,8balpha,8cbeta]]-Dodecahydro-6,7-dihydroxy-6,8a-dimethyl-3-methylene-2-oxooxireno[2,3]azuleno[4,5-b]furan-4-yl ester 2-methylbutanoic acid 91.23
C00020877 [3aR-(3aalpha,4beta,6beta,6aalpha,9aalpha,9bbeta)]-2,3,3a,4,5,6,6a,7,9a,9b-Decahydro-6,8-dihydroxy-6,9-dimethyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-4-yl ester 2-methyl-2-butenoic acid 91.23
C00021687 Salonitenolide 8-O-acetyl sarracinate 91.23
C00023189 3-Deacetyleupalinin A 91.23
C00029417 1beta-Methoxydiversifolin 91.23
C00039365 Helivypolide D 91.23
C00039366 Helivypolide E 91.23
C00003315 Liatrin 90.32
C00012141 Woodhousin 90.00
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
C00043500 Eupachinilide I
(+)-Eupachinilide I		 89.83
C00003391 Viguiestenin 89.66
C00011869 Viguiestin 89.66
C00011873 Sphaerocephalin 89.66
C00012146 3-O-Methyltithonin 89.66
C00033649 Anthemolide E 89.66
C00037555 Niveusin A 2-methylbutyrate 89.66
C00000235 Heliangine 89.47
C00003272 Euparotin 89.47
C00003281 Eupatundin 89.47
C00003398 Zexbrevin B 89.47
C00011744 Cordifene
Erlancorin		 89.47
C00011749 Cordifolia P2 89.47
C00011858 Peroxysachalinin 89.47
C00011867 (Z,Z)-Heliangin
Leptocarpin		 89.47
C00011993 Zinaflorin II 89.47
C00011998 [3aR-[3aalpha,4beta(Z),6alpha,7beta,7abeta]]-6-Ethenyloctahydro-6-methyl-a,3-bis(methylene)-4-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-7-benzofuranacetic acid 89.47
C00011999 [3aR-[3aalpha,4beta(E),6alpha,7beta,7abeta]]-6-ethenyloctahydro-6-methyl-a,3-bis(methylene)-4-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-7-benzofuranacetic acid 89.47
C00012032 Zinaflavin E 89.47
C00012058 (+)-20-Hydroxyelemajurinelloide 89.47
C00012110 Punctaliatrin
Punctatin
Punctatin		 89.47
C00012114 Ladibranolide 89.47
C00012116 (-)-Lychnopholide
Lychnopholide		 89.47
C00012140 Tagitinin B 89.47
C00012152 Argophyllin B 89.47
C00012155 Viguilenin 89.47
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 89.47
C00012260 Deoxytifruticin 89.47
C00012304 [3aR-[3aR*,4R*(Z),6S*,9S*,10Z,11aR*]]-2,3,3a,4,5,6,7,8,9,11a-Decahydro-6,9-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid 89.47
C00012403 Eremantholide B 89.47
C00012956 Tanapsin
[3aR-[3aalpha,4alpha(Z),4aalpha,5beta,8beta,8abeta,9abeta]]-Dodecahydro-5,8-dihydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid		 89.47
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		 89.47
C00013212 Zinaflorin IV
(2Z)-(3aS,4R,4aS,6S,9R,9aR,10R,10aS)-Dodecahydro-10-hydroxy-9a-methyl-3,5-bis(methylene)-2-oxo-6,9-epoxyfuro[2,3-h][3]benzoxepin-4-yl ester 2-methyl-2-butenoic acid		 89.47
C00020880 5-Hydroxyeupasessifolide B 89.47
C00021916 Disyhamifolide 89.47
C00033648 Anthemolide D
(+)-Anthemolide D		 89.47
C00040771 15-Hydroxyeremantholide B 89.47
C00042125 3-epi-Heliangin
(-)-3-epi-Heliangin		 89.47
C00042504 Eupakirunsin B
(-)-Eupakirunsin B		 89.47
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