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


and

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




INPUT WORD = C00012681 , 50% or more
[ Metabolite Name : Roritoxin C , 7',8'-Didehydro-14'-deoxy-2',3':9,10-diepoxy-2',3',9,10-tetrahydro-14'-oxovertisporin ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012680 Roritoxin D
7',8'-Didehydro-14'-deoxy-2',3'-epoxy-2',3'-dihydro-14'-oxovertisporin		 94.44
C00012679 Roritoxin B 93.33
C00012597 (2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A 91.11
C00012610 (2'S,3'R)-13'-Deoxy-2',3'-epoxy-2',3',7',8'-tetrahydro-13'-oxosatratoxin H
Mytoxin A		 91.11
C00012616 [2'S,3'R,7'R(R),9R,10S]-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 17		 91.11
C00012627 Satratoxin F 90.00
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 88.89
C00012588 [7'R(S),9R,10S]-7'-Deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 20		 88.89
C00012596 (2'S,3'R,4'S,7'R,8R)-7'-Deoxo-2'-deoxy-2',3'-epoxy-4',8-dihydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Baccharin B4
Baccharinoid B 4
Baccharinol
Baccharinol B4		 88.89
C00012605 7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Miotoxin C		 88.89
C00012611 (2'S,3'R,12'S)-13'-Deoxy-2',3'-epoxy-2',3',7',8'-tetrahydro-13'-oxo-satratoxin H
Mytoxin C		 88.89
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		 88.89
C00012626 Satratoxin G
2',3'-Epoxy-2',3'-dihydrosatratoxin H		 88.89
C00012677 Vertisporin 88.89
C00016365 YM 47524 88.04
C00016366 YM 47525 88.04
C00012583 [2'R,7'R(R),8R]-7'-Deoxo-8-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 7
Baccharisol		 87.78
C00012585 [2'R,7'R(S),8R]-7'-Deoxo-8-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharin B 3
Baccharinoid B 3
Isobaccharisol		 87.78
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		 87.78
C00012600 (7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
7beta,8beta-2',3'-Diepoxyroridin H		 87.78
C00012618 [2'S,3S,3'R,7'R(R)]-7'-Deoxo-2'-deoxy-2',3'-epoxy-3-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 12		 87.78
C00012678 Roritoxin A
7',8'-Didehydrovertisporin		 87.78
C00045517 14'-Hydroxymytoxin B
(+)-14'-Hydroxymytoxin B		 87.78
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		 86.67
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		 86.67
C00012615 Roridin D
7'-Deoxo-2'-deoxy-2',3'-epoxy-7'-(1-hydroxyethyl)verrucarin A		 86.67
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		 85.56
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		 85.56
C00012592 [2'E,7'R(S)]-2',3'-didehydro-7'-deoxo-2'-deoxy-4',16-dihydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 16		 85.56
C00012593 [7'R(R)]-2'-Deoxy-7'-deoxo-4',16-dihydroxy-7'-(1-hydroxyethyl)verrucarin A 85.56
C00012594 [7'R(R)]-7'-Deoxo-16-hydroxy-7'-(1-hydroxyethyl)verrucarin A 85.56
C00012606 Miotoxin D
[3'xi,4'S,7'R(R)]-7'-Deoxo-2'-deoxy-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A		 85.56
C00012609 8-(Acetyloxy)-6',7'-didehydro-6'-de(1-hydroxyethyl)-2',3'-epoxy-2',3',7',8'-tetrahydrosatratoxin H
Myrotoxin B		 85.56
C00012612 13'-Deoxy-7',8'-dihydro-13'-oxo-satratoxin H
Mytoxin B		 85.56
C00049395 Roridin E acetate
(+)-Roridin E acetate		 85.56
C00003179 Roridin A 84.44
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		 84.44
C00012628 Satratoxin H 84.44
C00015139 Roridin L 84.44
C00018150 7beta,8beta-Epoxyisororidin E 84.44
C00045522 16-Hydroxyroridin E
(-)-16-Hydroxyroridin E		 84.44
C00031945 Juncin H
(+)-Juncin H		 83.52
C00012607 Miotoxin A
[2'E,4'S,7'R(R)]-2',3'-Didehydro-7'-deoxo-2'-deoxy-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A		 83.33
C00012621 [4beta(2Z,4E)]-4-[6-[2-(2,5-Dihydro-5-oxo-3-furanyl)ethoxy]-7-hydroxy-2,4-octadienoate]12,13-epoxytrichothec-9-ene-4,15,16-triol
16-Hydroxyroridin L2		 83.33
C00012676 8-Acetylverrucarin L
Verrucarin L acetate
(2'E,8S)-8-(Acetyloxy)-2',3'-didehydro-2'-deoxyverrucarin A		 83.33
C00018149 Isororidin E 83.33
C00018151 7beta,8beta-Epoxyroridin H 83.33
C00031937 Juncenolide B
(-)-Juncenolide B		 83.33
C00045770 Cimilactone A
(-)-Cimilactone A		 83.33
C00046155 Milolide E
(-)-Milolide E		 83.33
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