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


and

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





INPUT WORD = C00012588 , 50% or more
[ Metabolite Name : [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 ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
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 97.59
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
96.39
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
95.24
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
95.18
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
95.18
C00012583 [2'R,7'R(R),8R]-7'-Deoxo-8-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 7
Baccharisol
93.98
C00012585 [2'R,7'R(S),8R]-7'-Deoxo-8-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharin B 3
Baccharinoid B 3
Isobaccharisol
93.98
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
93.98
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
93.98
C00012592 [2'E,7'R(S)]-2',3'-didehydro-7'-deoxo-2'-deoxy-4',16-dihydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 16
93.98
C00012593 [7'R(R)]-2'-Deoxy-7'-deoxo-4',16-dihydroxy-7'-(1-hydroxyethyl)verrucarin A 93.98
C00012606 Miotoxin D
[3'xi,4'S,7'R(R)]-7'-Deoxo-2'-deoxy-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A
93.98
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
93.98
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 93.02
C00012610 (2'S,3'R)-13'-Deoxy-2',3'-epoxy-2',3',7',8'-tetrahydro-13'-oxosatratoxin H
Mytoxin A
92.86
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
92.77
C00012594 [7'R(R)]-7'-Deoxo-16-hydroxy-7'-(1-hydroxyethyl)verrucarin A 92.77
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
92.77
C00018151 7beta,8beta-Epoxyroridin H 92.77
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
91.76
C00012627 Satratoxin F 91.67
C00012607 Miotoxin A
[2'E,4'S,7'R(R)]-2',3'-Didehydro-7'-deoxo-2'-deoxy-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A
91.57
C00012611 (2'S,3'R,12'S)-13'-Deoxy-2',3'-epoxy-2',3',7',8'-tetrahydro-13'-oxo-satratoxin H
Mytoxin C
91.57
C00012615 Roridin D
7'-Deoxo-2'-deoxy-2',3'-epoxy-7'-(1-hydroxyethyl)verrucarin A
91.57
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
91.57
C00012676 8-Acetylverrucarin L
Verrucarin L acetate
(2'E,8S)-8-(Acetyloxy)-2',3'-didehydro-2'-deoxyverrucarin A
91.57
C00015139 Roridin L 91.57
C00018150 7beta,8beta-Epoxyisororidin E 91.57
C00045522 16-Hydroxyroridin E
(-)-16-Hydroxyroridin E
91.57
C00012600 (7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
7beta,8beta-2',3'-Diepoxyroridin H
90.59
C00012626 Satratoxin G
2',3'-Epoxy-2',3'-dihydrosatratoxin H
90.48
C00012677 Vertisporin 90.48
C00003179 Roridin A 90.36
C00012612 13'-Deoxy-7',8'-dihydro-13'-oxo-satratoxin H
Mytoxin B
90.36
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
90.36
C00018149 Isororidin E 90.36
C00045517 14'-Hydroxymytoxin B
(+)-14'-Hydroxymytoxin B
90.36
C00012678 Roritoxin A
7',8'-Didehydrovertisporin
89.29
C00049395 Roridin E acetate
(+)-Roridin E acetate
89.29
C00012628 Satratoxin H 89.16
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
89.16
C00012681 Roritoxin C
7',8'-Didehydro-14'-deoxy-2',3':9,10-diepoxy-2',3',9,10-tetrahydro-14'-oxovertisporin
88.89
C00012605 7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Miotoxin C
88.64
C00012680 Roritoxin D
7',8'-Didehydro-14'-deoxy-2',3'-epoxy-2',3'-dihydro-14'-oxovertisporin
88.64
C00012679 Roritoxin B 88.51
C00012619 Roridine E
[2'E,7'R(R)]-2',3'-Didehydro-7'-deoxo-2'-deoxy-7'-(1-hydroxyethyl)-verrucarin A
87.95
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)
87.95
C00012609 8-(Acetyloxy)-6',7'-didehydro-6'-de(1-hydroxyethyl)-2',3'-epoxy-2',3',7',8'-tetrahydrosatratoxin H
Myrotoxin B
87.06
C00012595 (2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Baccharinoid B 25
86.75
C00012675 Verrucarin L 86.75
C00045512 12,13-Deoxyroridin E
(-)-12,13-Deoxyroridin E
86.75
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