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


and

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




INPUT WORD = C00012614 , 50% or more
[ Metabolite Name : 8-Acetylneosolaniol , Neosoloaniol monoacetate ]
Number of matched data : 63

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012651 Toxin HT 2 96.83
C00012661 Trichoverrol A
[4b(2Z,4E,6S,7S)]-4-(6,7-dihydroxy-2,4-octadienoate) 12,13-Epoxy-trichothec-9-ene-4,15-diol		 92.06
C00012665 Trichoverrol B
[4beta(2Z,4E,6S,7R)]-12,13-Epoxytrichothec-9-ene-4,15-diol 4-(6,7-dihydroxy-2,4-octadienoate)		 92.06
C00003192 T-2 toxin 91.30
C00012656 12,13-Epoxy-trichothec-9-ene-3a,4b,8,15-tetrol 4,15-diacetate 8-isovalerate 91.30
C00012633 (3alpha,4beta,7alpha,8alpha)-12,13-Epoxytrichothec-9-ene-3,4,7,8,15-pentol 4,15-diacetate 90.48
C00012639 Isoneosolaniol
NT 1
Toxin NT 1
Toxin T 1		 90.48
C00012641 (3alpha,4beta)-4,15-bis(Acetyloxy)-12,13-epoxy-3-hydroxytrichothec-9-en-8-one 90.48
C00012664 [4beta(2Z,4E,6S,7S)]- 12,13-Epoxytrichothec-9-ene-4,16-diol 4-(6,7-dihydroxy-2,4-octadienoate) 90.48
C00012668 [4beta(2Z,4E,6S,7R)]-12,13-Epoxytrichothec-9-ene-4,16-diol 4-(6,7-dihydroxy-2,4-octadienoate) 90.48
C00012613 Neosolaniol
Neozolaniol
Solaniol
Solaniol
(3alpha,4beta,8alpha)-12,13-Epoxy-trichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate		 88.89
C00012635 Nivalenol 4,15-diacetate
Nivalenol diacetate
Saubinin I
12,13-Epoxy-3a,4b,7a,15-tetrahydroxytrichothec-9-en-8-one 4,15-diacetate		 88.89
C00012669 3'-Hydroxy T-2 toxin
3'-Hydroxy-T 2
3'-Hydroxy-toxin T-2		 88.73
C00003129 Diacetoxyscirpenol 87.30
C00012632 Verrol (terpene)
[4beta,15(E)]-15-(5-Hydroxy-3-methyl-2-pentenoate) 12,13-epoxytrichothec-9-ene-4,15-diol		 87.30
C00012636 (3alpha,4beta,7alpha)12,13-Epoxy-trichothec-9-ene-3,4,7,15-tetrol 4,15-diacetate 87.30
C00012640 Deacetyl HT 2 toxin
T 2 triol
Toxin T 2 triol
Toxin T 3
12,13-Epoxy-trichothec-9-ene-3alpha,4beta,8alpha,15-tetrol 8-isovalerate		 87.30
C00012663 Trichodermadienediol A
[4beta(2Z,4E,6S,7S)]-12,13-Epoxy-trichothec-9-en-4-ol 6,7-dihydroxy-2,4-octadienoate		 87.30
C00012667 Trichodermadienediol B
[4beta(2Z,4E,6S,7R)]-12,13-Epoxytrichothec-9-en-4-ol 6,7-dihydroxy-2,4-octadienoate		 87.30
C00011795 (-)-Santhemoidin B
Santhemoidin B		 85.94
C00003268 Eupacunoxin 85.71
C00003322 Melampodin A 85.71
C00012241 [3aS-[3aR*,4R*(Z),5R*,6R*,9S*,10E,11aS*]]-5-(Acetyloxy)-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-methylbutenoic acid 85.71
C00012315 [3aS-(3aR*,4R*,5R*,6R*,10E,11aS*)]- 5-(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 3-methylbutanoic acid 85.71
C00012648 Trichodermadiene
[4beta[2Z,4E,5(2R,3R)]]-12,13-Epoxy-trichothec-9-en-4-ol 5-(3-methyloxiranyl)-2,4-pentadienoate		 85.71
C00021149 9-O-Desacetylspathulin 2-O-angelate
Gaigrandin		 85.71
C00021265 Plagiochilin G 85.71
C00035816 Calealactone B 85.71
C00037907 Teucrolin D 84.62
C00041114 Scutalbin C 84.62
C00020439 Eupachifolin D 84.38
C00023548 Teumarin 84.38
C00036194 Pectinolide F 84.38
C00038021 Xerophilusin G
(-)-Xerophilusin G		 84.38
C00041978 Zinagrandinolide A
(+)-Zinagrandinolide A		 84.38
C00045182 3-O-Deacetylteugracilin A 84.38
C00048474 Macrocalyxin J 84.38
C00050250 Teumassin 84.38
C00003724 Picrasin C 84.13
C00011864 Eupalinin A 84.13
C00011872 Cordifolia 55 84.13
C00012156 Confertolide 84.13
C00012630 4,15-Diacetylverrucarol
Antibiotic A 2
Di-O-acetylverrucarol		 84.13
C00012955 [3aR-(3aalpha,4alpha,6beta,8alpha,8aalpha,9aalpha)]- 6,8-bis(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-decahydro-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-propenoic acid 84.13
C00020501 Eupachifolin B 84.13
C00020697 Zoapatanolide D 84.13
C00020846 Skutchiolide A 84.13
C00021166 Acetylhymenograndin 84.13
C00021167 Hymenolane 84.13
C00021168 Hymenolane B 84.13
C00021269 Plagiochilin B 84.13
C00023263 9beta-Acetoxy-11beta,13-epoxyatripliciolide-8-O-methacrylate 84.13
C00033650 Anthemolide F
(+)-Anthemolide F		 84.13
C00036098 Cornutin D
(-)-Cornutin D		 84.13
C00036193 Pectinolide E 84.13
C00038976 Dendronpholide J
(-)-Dendronpholide J		 84.13
C00040310 Sinulaflexiolide C
(+)-Sinulaflexiolide C		 84.13
C00042043 11-Episcutecolumnin C
(+)-11-Episcutecolumnin C		 84.13
C00042913 Rhodomollein III 84.13
C00042915 Rhodomollein XVI
(+)-Rhodomollein XVI		 84.13
C00042988 Scutecolumnin C 84.13
C00043869 Rhodomollein XI
(-)-Rhodomollein XI		 84.13
C00047470 Jatamanvaltrate G
(-)-Jatamanvaltrate G		 84.13
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