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


and

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




INPUT WORD = C00012623 , 50% or more
[ Metabolite Name : Sambucoin , [3aS-(3aalpha,5aalpha,9abeta,9balpha)]-1,3a,4,5a,8,9,9a,9b-Octahydro-3a-hydroxy-7,9a,9b-trimethycyclopenta[c][1]benzopyran-3(2H)-one ]
Number of matched data : 95

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012604 [3S-[3alpha,4beta,7bbeta(1S*,2R*)]]-7-(2-Hydroxy-1,4-dimethyl-3-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptan-4-ol
Isotrichodiol		 94.74
C00012646 Roridin C
Trichodermol
12,13-Epoxy-trichothec-9-en-4beta-ol		 92.31
C00012622 Sambucinol 90.24
C00046802 Loukacinol B
(+)-Loukacinol B		 90.24
C00012624 8alpha-Hydroxysambucoin 90.00
C00012625 8beta-Hydroxysambucoin 90.00
C00012644 Isotrichodermol
3-Hydroxytrichothecene		 89.74
C00012521 Cuprenolidol 89.47
C00012603 12,13-Epoxytrichothec-9-ene 89.47
C00015733 Curvularol 87.80
C00011817 Shonachalin C 87.18
C00003119 Cuauhtemone 86.84
C00003363 Santamarin
Santamarine
Balchanin		 86.84
C00012041 Isolinderalactone 86.84
C00012043 Dihydroepiisolinderalactone 86.84
C00012520 Cuprenolide 86.84
C00020386 8alpha-Hydroxydolichlasin 86.84
C00020430 Zedoarol 86.84
C00021344 Porellapinguisenone 86.84
C00021395 Pallinol 86.84
C00021405 Lapidol 86.84
C00021997 Sambucinic acid 86.84
C00034364 11alpha,13-Dihydrosantamarin 86.84
C00037033 Deoxyarteannuin B
Deoxyisoartemisinin C		 86.84
C00037054 Dihydrodeoxyarteannuin B 86.84
C00043074 Tinocordifolin
(+)-Tinocordifolin		 86.84
C00046801 Loukacinol A
(+)-Loukacinol A		 86.05
C00012598 Crotocol 85.71
C00012654 12,13-Epoxy-4b-hydroxytrichothec-9-en-8-one
Trichothecolon		 85.37
C00012657 7alpha-Hydroxytrichodermol 85.37
C00011760 Lactulide A 84.62
C00012523 (S)-2,5-Dihydroxy-3-methyl-6-(1,2,2-trimethylcyclopentyl)-2,5-cyclohexadiene-1,4-dione
Helicobasidin		 84.62
C00017373 [2aR-(2aalpha,5aalpha,9balpha,9calpha)]-2a,3,4,5,5a,6,9b,9c-Octahydro-9,9c-dimethyl-2H-naphtho[1,8-bc:3,2-b']difuran-2-one 84.62
C00020143 Pernetic acid A methyl ester 84.62
C00021840 Isoquadrone 84.62
C00003113 Centarol 84.21
C00003310 Ivalin
[3aR-(3aalpha,4aalpha,7alpha,8abeta,9aalpha)]-Decahydro-7-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one		 84.21
C00010853 [1R-[1a(Z),6b]]-2-Methyl-3-methyl-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester 84.21
C00011660 Cryptomerone 84.21
C00011700 (+)-Epoxypuliglene
Epoxypuliglene		 84.21
C00012042 3abeta,4,5,8bbeta-tetrahydro-3alpha,4alpha,8-trimethyl-4-vinylbenzo[1,2-b:3,4-b']difuran-2(3H)-one
Dihydroisolinderalactone		 84.21
C00012175 [3S-(3R*,3aR*,10E,11aR*)]-3a,5,6,8,9,11a-Hexahydro-3,10-dimethyl-6-methylene-cyclodeca[b]furan-2,7(3H,4H)-dione 84.21
C00012177 Gallicin 84.21
C00012178 [3R-(3R*,3aS*,10E,11aS*)]-3a,5,6,8,9,11a-Hexahydro-3,10-dimethyl-6-methylene-cyclodeca[b]furan-2,7(3H,4H)-dione 84.21
C00012324 Zederone 84.21
C00012450 4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-diol
Fexerol		 84.21
C00012530 Rosulantol 84.21
C00012652 Trichodiol A
(+)-2-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-2-methyl-6-oxabicyclo[3.1.0]hexane-1-methanol		 84.21
C00012659 Trichodiol 84.21
C00012903 3alpha-Hydroxyfuroepaltol
[4aR-(4aalpha,5alpha,6alpha,8abeta)]-4,4a,5,6,7,8,8a,9-Octahydro-3,5,8a-trimethylnaphtho[2,3-b]furan-5,6-diol		 84.21
C00013044 Arbusculin C
[3aS-(3aalpha,5abeta,9aalpha,9bbeta)]-Decahydro-9a-hydroxy-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one		 84.21
C00013080 alpha-Tetrahydro-alpha-santonin
alpha-Tetrahydrosantonin
Artepaulin
[3S-(3alpha,3aalpha,5abeta,9alpha,9aalpha,9bbeta)]-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione		 84.21
C00016446 (+)-Fudecalone
FO 2030
Fudecalone		 84.21
C00016968 1beta,10beta-Epoxyeremophil-11(13)-en-12-oic acid 84.21
C00017295 Sporogen AO 1
(+)-13-Deoxyphomenone		 84.21
C00017389 2,9-Dioxoeuryopsin 84.21
C00017410 Euryopsonol 84.21
C00017521 Arteannuic acid
Artemisic acid
Artemisinic acid
Artemisininic acid
Qing Hau acid		 84.21
C00018433 (+)-Terrecyclic acid A
Terrecyclic acid A		 84.21
C00020194 12-Hydroxy-4,11(13)-muuroladien-15-oic acid 84.21
C00020228 [1S-(1alpha,4alpha,4aalpha,8aalpha)]-1,3,4,4a,5,8a-Hexahydro-1-hydroxy-4,7-dimethyl-1-(1-methylethyl)-2,6-naphthalenedione 84.21
C00020279 [1R-(1alpha,4abeta,6alpha,8aalpha)]-1,4,4a,5,6,7,8,8a-Octahydro-6-hydroxy-5,5,8a-trimethyl-1,2-naphthalenedimethanol 84.21
C00020281 [1R-(1alpha,4abeta,5alpha,8aalpha)]-1,4,4a,5,6,7,8,8a-Octahydro-5,8a-dimethyl-1,2,5-naphthalenetrimethanol 84.21
C00020385 Dolichlasin 84.21
C00020712 Periplanone B 84.21
C00021318 Longipin-2-ene-7beta,9alpha-diol-1-one 84.21
C00021335 Pinguisanin 84.21
C00021338 Pinguisenal 84.21
C00021566 Furodysinin lactone 84.21
C00021713 1-Hydroxymirabolide 84.21
C00021813 Cantabrenolic acid 84.21
C00021817 Subergorgic acid 84.21
C00021892 3(12)-Gymnomitren-15-oic acid 84.21
C00021975 Guimarediol 84.21
C00023731 Arthrosporol 84.21
C00026199 Helifoline
Croalbinecine 9-angelate
Helifolinecine 9-angelate		 84.21
C00030130 Dihydroartemisinic acid
(-)-Dihydroartemisinic acid		 84.21
C00030174 Elongatol E
(-)-Elongatol E		 84.21
C00030554 Isozedoarondiol 84.21
C00033303 Pipelol A
(-)-Pipelol A		 84.21
C00033470 Versicolactone B 84.21
C00034362 11-epi-Gallicin 84.21
C00034802 Bisabolol oxide B 84.21
C00034817 Chrysetunone 84.21
C00035660 Illudin J 84.21
C00036689 Acutifolone B 84.21
C00038337 9alpha-Hydroxyasterolide 84.21
C00038745 Chlorantene A
(-)-Chlorantene A		 84.21
C00040919 Claviol 84.21
C00044955 Neolitacumone B
(+)-Neolitacumone B		 84.21
C00044956 Neolitacumone C
(+)-Neolitacumone C		 84.21
C00045951 Furodysin lactone 84.21
C00047844 Deoxyuvidin B 84.21
C00048972 Epijuvabiol 84.21
C00048973 Epijuvabione
(+)-Epijuvabione		 84.21
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