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


and

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




INPUT WORD = C00003385 , 50% or more
[ Metabolite Name : Vernodalol ]
Number of matched data : 60

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012861 Carmanin
[1R-(1alpha,2beta,3alpha,4abeta,5beta,8alpha,8aalpha)]-8-formyldecahydro-1,5-dihydroxy-3-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-4a-methyl-alpha-methylene-2-naphthaleneacetic acid methyl ester		 96.49
C00034537 Hierapolitanin B
(+)-Hierapolitanin B		 93.22
C00037470 Malacitanolide
(+)-Malacitanolide		 93.10
C00003384 Vernodalin 92.98
C00012055 (+)-Elemacarmanin
Elemacarmanin		 92.98
C00012061 11,13-Dihydrovernodalin 92.98
C00012702 Pluchecinin 91.38
C00011763 Melnerin B 91.23
C00012058 (+)-20-Hydroxyelemajurinelloide 91.23
C00012278 Linearilobin H 91.23
C00020441 Chlorohyssopifolin E 89.66
C00012110 Punctaliatrin
Punctatin
Punctatin		 89.47
C00012274 Linearilobin D 89.47
C00020437 Chlororepdiolide
Cebellin E		 89.47
C00020438 Repensolide 89.47
C00020445 Episolstitiolide 89.47
C00020629 Bahia II 89.47
C00020702 [3aR-[3aalpha,4beta(S*),6alpha,6aalpha,7beta,7abeta,8abeta,8balpha,8cbeta]]-Dodecahydro-6,7-dihydroxy-6,8a-dimethyl-3-methylene-2-oxooxireno[2,3]azuleno[4,5-b]furan-4-yl ester 2-methylbutanoic acid 89.47
C00029417 1beta-Methoxydiversifolin 89.47
C00042271 Babylin B 89.47
C00012139 Vernopectolide A 88.33
C00012233 Orientalide 88.14
C00020991 Clementein 88.14
C00020992 Clementein B 88.14
C00020993 Clementein C 88.14
C00012146 3-O-Methyltithonin 87.93
C00042358 Cebellin J 87.93
C00003232 (+)-Cnicin
Cnicin		 87.72
C00011744 Cordifene
Erlancorin		 87.72
C00011762 Melnerin A 87.72
C00011819 Amarin 87.72
C00011888 [3aS-(3aR*,4S*,6R*,9S*,10R*,11aS*)]-9-Ethoxydodecahydro-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-propanoic acid 87.72
C00011980 Schkuhridin A 87.72
C00011989 [3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid 87.72
C00011991 [3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-4-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-7-benzofuranyl ester 2-methyl-2-propenoic acid 87.72
C00011996 Zempoalin C 87.72
C00011998 [3aR-[3aalpha,4beta(Z),6alpha,7beta,7abeta]]-6-Ethenyloctahydro-6-methyl-a,3-bis(methylene)-4-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-7-benzofuranacetic acid 87.72
C00011999 [3aR-[3aalpha,4beta(E),6alpha,7beta,7abeta]]-6-ethenyloctahydro-6-methyl-a,3-bis(methylene)-4-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-7-benzofuranacetic acid 87.72
C00012029 (+)-Zinaflavin C
Zinaflavin C		 87.72
C00012057 Zinaflavin H 87.72
C00012060 Verafinin C 87.72
C00012145 Tithonin 87.72
C00012413 8beta-Tigloyloxy-2,3-seco-4Z,11(13)-heliangadiene-3,10beta:6,12-diolid-2-oic acid 87.72
C00012984 (+)-Tirotundifolin A
Tirotundifolin A		 87.72
C00012985 (+)-Tirotundifolin E
Tirotundifolin E
Dodecahydro-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 2,3-dihydroxy-2-methylbutanoic acid		 87.72
C00013212 Zinaflorin IV
(2Z)-(3aS,4R,4aS,6S,9R,9aR,10R,10aS)-Dodecahydro-10-hydroxy-9a-methyl-3,5-bis(methylene)-2-oxo-6,9-epoxyfuro[2,3-h][3]benzoxepin-4-yl ester 2-methyl-2-butenoic acid		 87.72
C00013213 [3aS-(3aalpha,4alpha,4abeta,6alpha,9alpha,9aalpha,10beta,10aalpha)]-Dodecahydro-10-hydroxy-9a-methyl-3,5-bis(methylene)-2-oxo-6,9-epoxyfuro[2,3-h][3]benzoxepin-4-yl ester 2-methyl-2-propenoic acid 87.72
C00020444 Solstitiolide 87.72
C00020574 9-beta-Hydroxy-8beta-tiglinoyloxy-2-oxo-ludartin 87.72
C00020595 Janerin 87.72
C00020736 Epoxyrepdiolide 87.72
C00020737 Repin 87.72
C00020850 Acrorepiolide 87.72
C00021054 Subexpinnatin B 87.72
C00022664 8beta-Acetoxy-3beta-propionyloxyisocostic acid methyl ester 87.72
C00023190 8beta-(4'-hydroxytigloyloxy)-3beta,14-dihydroxy-6betaH,7alphaH-germacra-1(10)Z,4Z,11(13)-trien-6,12-olide 87.72
C00034536 Hierapolitanin A
(+)-Hierapolitanin A		 87.72
C00040771 15-Hydroxyeremantholide B 87.72
C00043495 Eupachinilide B
(-)-Eupachinilide B		 87.72
C00043498 Eupachinilide G
(-)-Eupachinilide G		 87.72
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