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


and

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




INPUT WORD = C00012647 , 50% or more
[ Metabolite Name : [4beta(Z)]-12,13-epoxytrichothec-9-en-4-ol 2-butenoate ]
Number of matched data : 102

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003196 Trichothecin 96.08
C00046956 Trichothecinol A
(+)-Trichothecinol A		 92.45
C00003195 Trichodermin 91.84
C00012630 4,15-Diacetylverrucarol
Antibiotic A 2
Di-O-acetylverrucarol		 90.57
C00012629 15-Deacetylcalonectrin
15-Decalonectrin
15-Desacetylcalonectrin
15-O-Deacetylcalonectrin		 89.80
C00012643 15-Acetoxyscirpen-3,4-diol
15-Acetoxyscirpenol
15-Acetylscirpenetriol
15-Mono-O-acetylscirpenol
15-O-Acetylscirpenetriol
4-Deacetylanguidin		 89.80
C00012645 Isotrichodermin 89.80
C00021406 Lapidin 89.80
C00012631 (+)-Calonectrin
Calonectrin		 88.68
C00012638 15-Deacetylneosolaniol
Toxin NT 2		 88.24
C00017354 [4aR-[4aalpha,5alpha,6alpha(Z),8aalpha,9alpha]]-4,4a,5,6,7,8,8a,9-Octahydro-9-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 88.00
C00033577 6-Angeloyljaeschkeanadiol
Jaeschkeanadiol 6-angelate		 87.76
C00003129 Diacetoxyscirpenol 87.27
C00003386 Vernoflexin
Vernoflexine
Zaluzanin C senecioate		 86.00
C00017411 Euryopsonol angelate
3alpha-Angeloyloxy-9-oxofuranoeremophilane		 86.00
C00002113 Sarracine 85.71
C00011419 [R-[R*,R*-(Z,E,E,E)]]-1-(3,3-Dimethyloxiranyl)-9-hydroxy-3,7-dimethyl-3,5,7-nonatrienyl ester 2-methyl-2-butenoic acid 85.71
C00012696 3-O-Angeloylcuauhtemone
Cuauhtemone-3-angelicate
[1S-[1alpha,2alpha(Z),4abeta,8aalpha]]-Decahydro-1-hydroxy-1,4a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl ester 2-methyl-2-butenoic acid		 85.71
C00021382 Linkiol 85.71
C00021702 9beta-Isovaleryloxy costunolide 85.71
C00022221 3alpha-Hydroxyisoagatholal 85.71
C00022222 3beta-Hydroxyisoagatholal 85.71
C00022224 (E)-ent-2alpha-17-Dihydroxy-7,13-labdienepentenoic acid 85.71
C00022487 2-Oxo-8(17),13Z-labdadien-15-oic acid 85.71
C00022492 3-Oxo-18-hydroxy-8(17),13Z-labdadien-15-oic acid 85.71
C00026216 Neosarracine
NSC 669379		 85.71
C00031621 Ballodiolic acid 85.71
C00040743 (+)-(4->2)-abeo-Kolavelool-3-oic acid 85.71
C00041845 Sarcophytonolide F
(+)-Sarcophytonolide F		 85.71
C00012215 Wunderolide 84.31
C00012632 Verrol (terpene)
[4beta,15(E)]-15-(5-Hydroxy-3-methyl-2-pentenoate) 12,13-epoxytrichothec-9-ene-4,15-diol		 84.21
C00012636 (3alpha,4beta,7alpha)12,13-Epoxy-trichothec-9-ene-3,4,7,15-tetrol 4,15-diacetate 84.21
C00012639 Isoneosolaniol
NT 1
Toxin NT 1
Toxin T 1		 84.21
C00012641 (3alpha,4beta)-4,15-bis(Acetyloxy)-12,13-epoxy-3-hydroxytrichothec-9-en-8-one 84.21
C00003457 Montanol 84.00
C00017400 Petasitolide A 84.00
C00017401 Petasitolide B 84.00
C00017418 [4S-(4alpha,4aalpha,5alpha,8abeta)]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methyl-2-butenoic acid 84.00
C00020800 Vernudifloride 84.00
C00020802 [3aS-(3aalpha,5alpha,6aalpha,9aalpha,9bbeta)]-Dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-5-yl ester 3-methyl-2-butenoic acid 84.00
C00021807 5alpha-Angeloyloxy-11beta-hydroxysilphinen-3-one 84.00
C00022516 ent-8beta,17-Epoxy-3-oxo-13Z-labden-15-oic acid 84.00
C00023499 Ephemeric acid 84.00
C00026206 (-)-Iodanthine 84.00
C00026212 Ligularinine
12-Epiplatyphylline		 84.00
C00000414 Hybridalactone 83.67
C00001945 Lycofawcine 83.67
C00002124 Triangularine 83.67
C00003187 Shiromodiol diacetate 83.67
C00012174 Hallerin 83.67
C00012847 Decahydro-alpha,4a-dimethyl-8-methylene-7-[(3-methyl-1-oxo-2-butenyl)oxy]-2-naphthaleneacetic acid 83.67
C00016637 (-)-Pironetin
NK 10958
NL 9C
PA 48153c
Pironetin		 83.67
C00017015 S-Japonin 83.67
C00017364 Furanojaponin 83.67
C00020238 Petasipalin A 83.67
C00021097 Parthoximenthine 83.67
C00021410 Vaginatin
Crispanone		 83.67
C00021686 Salonitenolide 8-O-angelate 83.67
C00021887 1,10-Diacetoxy-3(15)-gymnomitrene 83.67
C00022170 2-[2-(2,3,3a,4,5,7a-Hexahydro-3,6-dimethyl-2-benzofuranyl)ethylidene]-6-methyl-5-heptenoic acid 83.67
C00022171 2-[(3,4,4a,5,6,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran-2-yl)methylene]-6-methyl-5-heptenoic acid 83.67
C00022225 (E)-ent-3beta-3,18-Dihydroxy-8(17),13-labdadien-15-oic acid 83.67
C00022226 Henrilabdane A
(-)-Henrilabdane A		 83.67
C00022242 (ent-6alpha,8alpha,13E)-6,8-Dihydroxy-13-labden-15-oic acid 83.67
C00022245 7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid 83.67
C00022364 Carterochaetaic acid 83.67
C00022405 (ent)-6-beta-Hydroxycopalic acid 83.67
C00022434 8alphaH,ent-3beta-Hydroxy-17-oxo-13Z-labden-15oic acid 83.67
C00022435 8alphaH,ent-3eta,17-Dioxo-13Z-labden-15-oic acid 83.67
C00022436 8betaH,ent-3beta-Hydroxy-17-oxo-13Z-labden-15oic acid 83.67
C00022437 8betaH,ent-3eta,17-Dioxo-13Z-labden-15-oic acid 83.67
C00022445 ent-2alpha-Hydroxy-7,13E-labdadien-15-oic acid 83.67
C00022494 2beta,3beta-Dihydroxy-8(17),13Z-labdadien-15-oic acid 83.67
C00022521 Copaiferolic acid
18-Hydroxy-8(17),13-labdadien-15-oic acid		 83.67
C00022523 ent-Copaiferolic acid
ent-18-Hydroxy-8(17),13-labdadien-15-oic acid		 83.67
C00022709 Agathalic acid 83.67
C00022785 2alpha,15,16-Trihydroxy-3-oxo-ent-cleroda-13Z-ene 83.67
C00023203 Bacchasalicylic acid 83.67
C00023292 ent-8alphaH,13E-Labdene-15,17-dioic acid 83.67
C00023293 ent-8alphaH,13Z-Labdene-15,17-dioic acid 83.67
C00023327 2alpha,3alpha-Dihydroxycativic acid 83.67
C00023335 3beta,8alpha-Dihydroxy-13E-labden-15-oic acid 83.67
C00023364 Villenatriolone 83.67
C00023478 ent-Clerod-3,13E-dien-15-al-17-oic acid 83.67
C00023486 Haplopappic acid 83.67
C00023498 ent-4(18)-13E-Clerodadien-15-oic acid 83.67
C00023510 Haplociliatic acid 83.67
C00023512 Cistodioic acid 83.67
C00023516 ent-3alpha,4alpha-Epoxy-15-clerodanoic acid 83.67
C00023518 ent-4beta,18-Epoxy-15-Clerodanoic acid 83.67
C00023519 ent-4alpha,18-Epoxy-15-Clerodanoic acid 83.67
C00032357 Thysaspathone
(-)-Thysaspathone		 83.67
C00037497 Methyl labd-13-en-15-oate 83.67
C00040219 Sarcostolide B
(+)-Sarcostolide B		 83.67
C00040220 Sarcostolide C
(+)-Sarcostolide C		 83.67
C00042887 Pulicanaral C 83.67
C00044423 15-hydroxy-cis-clerodan 3-ene-18-oic acid
(+)-15-hydroxy-cis-clerodan 3-ene-18-oic acid		 83.67
C00045601 9-Deoxy-xeniolide A 83.67
C00045608 Acalycixeniolide K
(+)-Acalycixeniolide K		 83.67
C00046052 Isoxeniolide A
(+)-Isoxeniolide A		 83.67
C00046980 Zerumin A
(+)-Zerumin A		 83.67
C00048665 Clavirolide C 83.67
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