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


and

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




INPUT WORD = C00036189 , 50% or more
[ Metabolite Name : Pectinolide A ]
Number of matched data : 62

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00016384 (+)-Macrosphelide C
Macrosphelide C		 89.13
C00010374 3,3,6-Trimethyl-5-heptene-1,2,4-triol 88.64
C00036190 Pectinolide B 86.36
C00036191 Pectinolide C 86.36
C00012366 Litsealactone 84.78
C00003269 Eupaformonin 84.44
C00012645 Isotrichodermin 84.44
C00020337 Isoxanthanol
4-Acetylivalbin		 84.44
C00021044 Apachin 84.44
C00030486 Hiyodorilactone C 84.44
C00010735 Allamdin 84.09
C00010984 3-Hydroxy-4,6,6-trimethyl-1,4-Cyclohexadiene-1-carboxaldehyde 4-hydroxy-3-methylcrotonate acetate 84.09
C00010991 [3S-(3alpha,3abeta,7beta,7abeta)]-7-Dimethyl-3,7a-bis(acetyloxy)hexahydro-3a 1,4-isobenzofurandione 84.09
C00012328 Mikaperiplocolide 84.09
C00020917 3beta-Acetoxy-5,11(13)-guaiadien-12,8alpha-olide 84.09
C00030901 Ostopanic acid
(8E,10E)-7,12-dioxo-8,10-octadecadienoic acid		 84.09
C00032545 Zaluzanin D 84.09
C00033142 Madolin G 84.09
C00041808 Russujaponol B
(-)-Russujaponol B		 84.09
C00042880 Pulicanadienal B
(+)-Pulicanadienal B		 84.09
C00046825 CID is old! 84.09
C00016156 (+)-Macrosphelide A
Macrosphelide A		 83.33
C00016157 Macrosphelide B 83.33
C00020995 2-Deoxy-14-acetoxypleniradin 83.33
C00044335 Synargentolide B
(+)-Synargentolide B		 83.33
C00012246 [7S-(5Z,7R*,9R*,10E,11aS*)]-9-(acetyloxy)-7,8,9,11a-tetrahydro-7-hydroxy-3-(hydroxymethyl)-6,10-dimethylcyclodeca[b]furan-2(4H)-one,
13-Desacetyl-1beta-hydroxyafraglaucolide		 82.98
C00012248 [7R-(7R*,9S*,10E,11aR*)]- 9-(Acetyloxy)-5,6,7,8,9,11a-hexahydro-7-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylenecyclodeca[b]furan-2(4H)-one,
13-Desacetyl-1alpha-hydroxyafraglaucolide		 82.98
C00012252 [9S-(9R*,10E,11aS*)]-9-(acetyloxy)-5,6,9,11a-tetrahydro-3-(hydroxymethyl)-10-methyl-6-methylenecyclodeca[b]furan-2,7(4H,8H)-dione 82.98
C00012255 Achillolide A 82.98
C00012496 10-(3-Dimethylaminobutyl)-2-ethylphenothiazine
Naematolin B		 82.98
C00016972 Eremofortin A 82.98
C00020622 [3aS-(3aalpha,7alpha,7abeta,8abeta,8balpha,8cbeta)]-7-(Acetyloxy)-3a,4,5,7,7a,8a,8b,8c-octahydro-6,8a-dimethyl-3-methylene-oxireno[2,3]azuleno[4,5-b]furan-2(3H)-one 82.98
C00020625 2beta-Acetoxy-3alpha,4alpha-epoxy-3,4-dihydrokauniolide 82.98
C00039250 Gallicynoic acid F
(-)-Gallicynoic acid F		 82.98
C00010732 beta-Allamcidin
Allamcidin B		 82.61
C00012108 9alpha-Acetoxyparthenolide 82.61
C00012200 Herbolide C 82.61
C00012864 [3aR-(3aalpha,7alpha,8beta,8abeta,9abeta)]-7-(acetyloxy)-3a,4,6,7,8,8a,9,9a-octahydro-8-hydroxy-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
2alpha-Acetoxy-8-epiivangustin		 82.61
C00012961 Montathanolide
[3aS-(3aalpha,5abeta,6beta,8beta,9bbeta)]-8-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 82.61
C00012990 [3aS-(3aalpha,5abeta,7alpha,9aalpha,9balpha)]-7-(Acetyloxy)decahydro-9a-hydroxy-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one 82.61
C00013002 Torrentin
[3S-(3alpha,3aalpha,5abeta,6beta,8beta,9bbeta)]-8-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one		 82.61
C00013074 8alpha-Acetoxytaurin
(3S,3aS,5aR,8R,9bS)-8-(Acetyloxy)-3a,5,5a,7,8,9b-hexahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione		 82.61
C00020294 Cinnamosmolide 82.61
C00020515 Kandavanolide
8beta-Hydroxyzaluzanin D		 82.61
C00020522 Athamontanolide 82.61
C00049846 Trichoflectin
(-)-Trichoflectin		 82.61
C00000132 3-Acetoxy-13-hydroxy-1(10),4,7(11)-germacratrien-12,6-olide 82.22
C00000133 13-Acetoxy-3-hydroxy-1(10),4,7(11)-germacratrien-12,6-olide 82.22
C00003104 Botrydial 82.22
C00003117 Cinnamodial 82.22
C00003195 Trichodermin 82.22
C00011827 Perymeniolide 82.22
C00012212 [10S-(6E,10R*,11aS*)]-3-[(acetyloxy)methyl]-5,8,11,11a-Tetrahydro-6,10-dimethylcyclodeca[b]furan-2,9(4H,10H)-dione 82.22
C00012494 Naematolin
Nematolin
[1S-(1R*,4S*,5E,7S*,8R*,9R*)]-4-(Acetyloxy)-7,8-dihydroxy-6,10,10-trimethyl-2-methylenebicyclo[7.2.0]undec-5-en-3-one		 82.22
C00012495 Naematolon
Nematolone		 82.22
C00020744 [1R-(1alpha,4abeta,6alpha,8aalpha)]-6-(Acetyloxy)-1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester 82.22
C00020749 [1R-(1alpha,4aalpha,6alpha,8aalpha)]-6-(Acetyloxy)-1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester 82.22
C00023406 Wentilactone B 82.22
C00032358 Tianshic acid 82.22
C00034431 9,10,18-Trihydroxyoctadecanoic acid 82.22
C00042888 Pulicanol 82.22
C00044735 Eiseniachloride B
(-)-Eiseniachloride B		 82.22
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