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


and

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




INPUT WORD = C00012672 , 50% or more
[ Metabolite Name : Verrucarin J , Muconomycin B ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003200 Verrucarin A 96.05
C00012673 (2'E)-2',3'-Didehydro-2'-deoxy-13'-hydroxyverrucarin A
PD 113,325		 94.74
C00012675 Verrucarin L 94.74
C00015140 Verrucarin M 93.42
C00012674 Verrucarin K 93.24
C00012662 Trichoverrin A
[4beta(2Z,4E,6S,7S),15(E)]-4-(6,7-Dihydroxy-2,4-octadienoate) 15-(5-hydroxy-3-methyl-2-pentenoate) 12,13-epoxy-trichothec-9-ene-4,15-diol		 92.41
C00012595 (2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Baccharinoid B 25		 92.31
C00012619 Roridine E
[2'E,7'R(R)]-2',3'-Didehydro-7'-deoxo-2'-deoxy-7'-(1-hydroxyethyl)-verrucarin A		 92.31
C00018149 Isororidin E 92.31
C00012671 Verrucarin B
(2'S,3'R)-2'-Deoxy-2',3'-epoxyverrucarin A		 92.21
C00012607 Miotoxin A
[2'E,4'S,7'R(R)]-2',3'-Didehydro-7'-deoxo-2'-deoxy-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A		 91.25
C00012666 Trichoverrin B
[4beta(2Z,4E,6S,7R),15(E)]- 12,13-Epoxytrichothec-9-ene-4,15-diol 4-(6,7-dihydroxy-2,4-octadienoate) 15-(5-hydroxy-3-methyl-2-pentenoate)		 91.14
C00045512 12,13-Deoxyroridin E
(-)-12,13-Deoxyroridin E		 90.67
C00015139 Roridin L 90.00
C00045522 16-Hydroxyroridin E
(-)-16-Hydroxyroridin E		 90.00
C00012594 [7'R(R)]-7'-Deoxo-16-hydroxy-7'-(1-hydroxyethyl)verrucarin A 89.02
C00012628 Satratoxin H 88.89
C00018150 7beta,8beta-Epoxyisororidin E 88.89
C00003179 Roridin A 88.75
C00012606 Miotoxin D
[3'xi,4'S,7'R(R)]-7'-Deoxo-2'-deoxy-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A		 88.75
C00003192 T-2 toxin 87.84
C00012656 12,13-Epoxy-trichothec-9-ene-3a,4b,8,15-tetrol 4,15-diacetate 8-isovalerate 87.84
C00012669 3'-Hydroxy T-2 toxin
3'-Hydroxy-T 2
3'-Hydroxy-toxin T-2		 87.84
C00012589 [2'E,7'R(R),8R]-2',3'-Didehydro-7'-deoxo-2'-deoxy-4',8-dihydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 13		 87.80
C00012590 [2'E,7'R(S),8R]-2',3'-Didehydro-7'-deoxo-2'-deoxy-4',8-dihydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 14		 87.80
C00012592 [2'E,7'R(S)]-2',3'-didehydro-7'-deoxo-2'-deoxy-4',16-dihydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 16		 87.80
C00012676 8-Acetylverrucarin L
Verrucarin L acetate
(2'E,8S)-8-(Acetyloxy)-2',3'-didehydro-2'-deoxyverrucarin A		 87.80
C00012612 13'-Deoxy-7',8'-dihydro-13'-oxo-satratoxin H
Mytoxin B		 87.65
C00012608 6',7'-Didehydro-6'-de(1-hydroxyethyl)-2',3'-epoxy-2',3',7',8'-tetrahydrosatratoxin H
Myrotoxin A		 87.01
C00049395 Roridin E acetate
(+)-Roridin E acetate		 86.90
C00012586 (2'E,4'R,7'R,9R,10S)-2',3'-Didehydro-7'-deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Baccharanoid B9
Baccharene		 86.75
C00012611 (2'S,3'R,12'S)-13'-Deoxy-2',3'-epoxy-2',3',7',8'-tetrahydro-13'-oxo-satratoxin H
Mytoxin C		 86.75
C00012582 [4'R,7'R(R),8R]-7'-Deoxo-2'-deoxy-4',8-dihydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharanoid B1
Baccharin B1
Baccharinoid B 1
Baccharol		 86.59
C00012583 [2'R,7'R(R),8R]-7'-Deoxo-8-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 7
Baccharisol		 86.59
C00012584 [4'R,7'R(S),8R]-7'-Deoxo-2'-deoxy-4',8-dihydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharin B2
Baccharinoid B 2
Isobaccharol		 86.59
C00012585 [2'R,7'R(S),8R]-7'-Deoxo-8-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharin B 3
Baccharinoid B 3
Isobaccharisol		 86.59
C00012591 [2'E,7'R(S)]-2',3'-Didehydro-7'-deoxo-2'-deoxy-4'-hydroxy-7'-(1-hydroxyethyl)-8-oxo-verrucarin A
Baccharinoid B 27		 86.59
C00018151 7beta,8beta-Epoxyroridin H 86.59
C00003411 Caryoptin 86.49
C00020235 Abrotanifolone 86.49
C00040574 Tubocapsanolide D
(+)-Tubocapsanolide D		 86.49
C00045211 Adenanthin K
(-)-Adenanthin K		 86.49
C00012615 Roridin D
7'-Deoxo-2'-deoxy-2',3'-epoxy-7'-(1-hydroxyethyl)verrucarin A		 86.42
C00012620 (+)-Roridin L-2
Roridin L 2
[4beta(2Z,4E)]-4-[6-[2-(2,5-Dihydro-5-oxo-3-furanyl)ethoxy]-7-hydroxy-2,4-octadienoate] 12,13-epoxytrichothec-9-ene-4,15-diol		 86.25
C00012627 Satratoxin F 85.71
C00012587 [7'R(S),9R,10S]-2',3'-Didehydro-7'-deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A 85.54
C00012617 [2'S,3'R,7'R(R),8R]-7'-Deoxo-2'-deoxy-2',3'-epoxy-8-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 21		 85.54
C00045517 14'-Hydroxymytoxin B
(+)-14'-Hydroxymytoxin B		 85.54
C00012593 [7'R(R)]-2'-Deoxy-7'-deoxo-4',16-dihydroxy-7'-(1-hydroxyethyl)verrucarin A 85.37
C00031582 Ajugalide B 85.33
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