"Twins" retrives similar metabolites in chemical structure.
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"Twins" retrives similar metabolites in chemical structure. |
| last update : 2020.01.06 |
| INPUT WORD = C00012680 , 50% or more |
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| [ Metabolite Name : Roritoxin D , 7',8'-Didehydro-14'-deoxy-2',3'-epoxy-2',3'-dihydro-14'-oxovertisporin ] | |
| Number of matched data : 51 | |
| CID | Metabolite Name | Structural formula | Metabolite Activity | Similarity (%) |
|---|---|---|---|---|
| C00012679 | Roritoxin B |  |
97.73 | C00012681 | Roritoxin C 7',8'-Didehydro-14'-deoxy-2',3':9,10-diepoxy-2',3',9,10-tetrahydro-14'-oxovertisporin |
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94.44 | C00012627 | Satratoxin F |  |
94.32 | 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 |
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93.18 | C00012605 | 7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A Miotoxin C |
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93.18 | C00012610 | (2'S,3'R)-13'-Deoxy-2',3'-epoxy-2',3',7',8'-tetrahydro-13'-oxosatratoxin H Mytoxin A |
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93.18 | C00012611 | (2'S,3'R,12'S)-13'-Deoxy-2',3'-epoxy-2',3',7',8'-tetrahydro-13'-oxo-satratoxin H Mytoxin C |
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93.18 | 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 |
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93.18 | C00012626 | Satratoxin G 2',3'-Epoxy-2',3'-dihydrosatratoxin H |
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93.18 | C00012583 | [2'R,7'R(R),8R]-7'-Deoxo-8-hydroxy-7'-(1-hydroxyethyl)verrucarin A Baccharinoid B 7 Baccharisol |
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92.05 | C00012585 | [2'R,7'R(S),8R]-7'-Deoxo-8-hydroxy-7'-(1-hydroxyethyl)verrucarin A Baccharin B 3 Baccharinoid B 3 Isobaccharisol |
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92.05 | C00012600 | (7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A 7beta,8beta-2',3'-Diepoxyroridin H |
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92.05 | C00012609 | 8-(Acetyloxy)-6',7'-didehydro-6'-de(1-hydroxyethyl)-2',3'-epoxy-2',3',7',8'-tetrahydrosatratoxin H Myrotoxin B |
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92.05 | 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 |
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92.05 | C00045517 | 14'-Hydroxymytoxin B (+)-14'-Hydroxymytoxin B |
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92.05 | 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 |
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90.91 | 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 |
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90.91 | 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 |  |
90.91 | C00012615 | Roridin D 7'-Deoxo-2'-deoxy-2',3'-epoxy-7'-(1-hydroxyethyl)verrucarin A |
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90.91 | 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 |
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90.91 | C00012677 | Vertisporin |  |
90.91 | C00016365 | YM 47524 |  |
90.22 | C00016366 | YM 47525 |  |
90.22 | 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 |
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89.77 | 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 |
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89.77 | C00012592 | [2'E,7'R(S)]-2',3'-didehydro-7'-deoxo-2'-deoxy-4',16-dihydroxy-7'-(1-hydroxyethyl)verrucarin A Baccharinoid B 16 |
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89.77 | C00012593 | [7'R(R)]-2'-Deoxy-7'-deoxo-4',16-dihydroxy-7'-(1-hydroxyethyl)verrucarin A |  |
89.77 | C00012594 | [7'R(R)]-7'-Deoxo-16-hydroxy-7'-(1-hydroxyethyl)verrucarin A |  |
89.77 | C00012606 | Miotoxin D [3'xi,4'S,7'R(R)]-7'-Deoxo-2'-deoxy-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A |
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89.77 | C00012612 | 13'-Deoxy-7',8'-dihydro-13'-oxo-satratoxin H Mytoxin B |
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89.77 | C00012678 | Roritoxin A 7',8'-Didehydrovertisporin |
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89.77 | C00049395 | Roridin E acetate (+)-Roridin E acetate |
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89.77 | C00003179 | Roridin A |  |
88.64 | 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 |  |
88.64 | 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 |
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88.64 | 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 |
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88.64 | C00012628 | Satratoxin H |  |
88.64 | C00012676 | 8-Acetylverrucarin L Verrucarin L acetate (2'E,8S)-8-(Acetyloxy)-2',3'-didehydro-2'-deoxyverrucarin A |
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88.64 | C00015139 | Roridin L |  |
88.64 | C00018150 | 7beta,8beta-Epoxyisororidin E |  |
88.64 | C00045522 | 16-Hydroxyroridin E (-)-16-Hydroxyroridin E |
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88.64 | 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 |
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87.50 | C00012607 | Miotoxin A [2'E,4'S,7'R(R)]-2',3'-Didehydro-7'-deoxo-2'-deoxy-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A |
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87.50 | 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 |
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87.50 | C00018149 | Isororidin E |  |
87.50 | C00018151 | 7beta,8beta-Epoxyroridin H |  |
87.50 | 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 |
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86.36 | 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 |
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86.36 | C00012619 | Roridine E [2'E,7'R(R)]-2',3'-Didehydro-7'-deoxo-2'-deoxy-7'-(1-hydroxyethyl)-verrucarin A |
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85.23 | 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) |
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85.23 | C00012671 | Verrucarin B (2'S,3'R)-2'-Deoxy-2',3'-epoxyverrucarin A |
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85.23 |