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


and

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




INPUT WORD = C00021655 , 50% or more
[ Metabolite Name : 7-Hydroxy-10-oxodehydrodihydrobotrydial ]
Number of matched data : 91

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00021656 7,10-Dihydroxydehydrodihydrobotrydial 100.00
C00045507 10-Oxodehydrodihydrobotrydial
(+)-10-Oxodehydrodihydrobotrydial		 94.74
C00046551 11-Hydroxydehydrobotrydienol
(-)-11-Hydroxydehydrobotrydienol		 94.74
C00046557 12-Hydroxydehydrobotrydienol
(+)-12-Hydroxydehydrobotrydienol		 94.74
C00021571 Dehydrobotrydienal 92.11
C00021659 7-Hydroxy-10-dehydroxydehydrodihydrobotrydial 92.11
C00046716 Dehydrobotrydienol
(-)-Dehydrobotrydienol		 92.11
C00021658 7-Hydroxy-10-ethoxydehydrodihydrobotrydial 90.48
C00021657 7-Hydroxy-10-methoxydehydrodihydrobotrydial 90.00
C00046122 Mansonone P
(-)-Mansonone P		 89.47
C00012531 (-)-Tochuinyl acetate
Tochuinol acetate
Tochuinyl acetate		 87.18
C00012532 (1R,2R)-1,2-Dimethyl-2-(4-methyl-1,4-cyclohexadien-1-yl)cyclopentanemethanol acetate
Dihydrotochuinyl acetate		 87.18
C00012559 (2alpha,3alpha,4beta,5alpha)-(+)-7-Bromo-2,3,4,5-tetrahydro-4,5,8-trimethyl-2,5-Methano-1-benzoxepin-3-carboxaldehyde
Caraibical		 86.84
C00020097 Heritol 86.84
C00020175 3-Methoxy-8-calamenenol
(1S,3R,4R)-7-Methoxycalamenen-3-ol		 86.84
C00020179 3-Methoxy-8-calamenenone
(1S,4R)-7-Methoxycalamenen-3-one		 86.84
C00048953 9-Oxo-bis-abola-1,3,5,7E-tetraen-15-oic acid methyl ester 86.84
C00002995 Heritonin 85.00
C00002827 Hibiscoquinone A 84.62
C00037190 Gloeophyllol D 84.62
C00037243 Heliannuol F
(+)-Heliannuol F		 84.62
C00037247 Heliannuol L 84.62
C00040668 Wutaiensal 84.62
C00002639 Ascosalitoxin 84.21
C00011542 Aeginetic acid
Eginetic acid		 84.21
C00012553 Aplysinol
[3S-(3alpha,3abeta,8bbeta)]-7-Bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-cyclopenta[b]benzofuran-3a-methanol		 84.21
C00012554 [3S-(3alpha,3abeta,8bbeta)]-7-Bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-cyclopenta[b]benzofuran-3a-carboxaldehyde
Aplysinal		 84.21
C00012555 Isoaplysin
[3S-(3alpha,3abeta,8bbeta)]-3a-(Bromomethyl)-2,3,3a,8b-tetrahydro-3,6,8b-trimethyl-1H-cyclopenta[b]benzofuran		 84.21
C00012558 (1R-cis)-4-Bromo-2-[3-(hydroxymethyl)-1,2-dimethyl-3-cyclopenten-1-yl]-5-methylphenol
10-Bromo-3-laurene-7,12-diol		 84.21
C00018778 (+)-Dienomycin C
Dienomycin C		 84.21
C00021570 Botrydienal 84.21
C00030658 Ligustiphenol
(-)-Ligustiphenol		 84.21
C00030735 Mansorin III 84.21
C00037249 Helibisabonol A
(-)-Helibisabonol A		 84.21
C00037250 Helibisabonol B 84.21
C00042561 CID is old! 84.21
C00020178 3-Acetoxy-8-calamenenone
(1S,4R)-7-Acetoxycalamenen-3-one		 82.93
C00010815 7-Isobutyryloxythymohydroquinone dimethyl ether 82.50
C00016498 NFAT 133 82.50
C00037246 Heliannuol I
(-)-Heliannuol I		 82.50
C00039357 Heliannuol J
(+)-Heliannuol J		 82.50
C00042562 Globosumone C
(-)-Globosumone C		 82.50
C00021499 Pterosin W 82.05
C00021660 7-Hydroxydeacetylbotryenalol 82.05
C00048302 8-Hydroxy-6-methoxy-3-pentylisocoumarin 82.05
C00002466 Decursinol 81.58
C00007236 Abscisic acid aldehyde 81.58
C00007240 cis,trans-Xanthoxin
2-cis,2-trans-Xanthoxin
(-)-Xanthoxin		 81.58
C00010986 1,1,5-Trimethyl-2-formyl-4-(3-methyl-2-butenoyloxy)-2,5-cyclohexadiene 81.58
C00011900 (+/-)-ar-Todomatuic acid
ar-Todomatuic acid
(R)-4-(1,5-Dimethyl-3-oxohexyl)benzoic acid		 81.58
C00012462 (1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Lychnocolumnic acid
9beta,10alpha-Epoxy-2,6-humuladien-14-carboxylic acid		 81.58
C00012539 Laurinterol
[1S-(1alpha,2beta,5alpha)]-4-Bromo-2-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol		 81.58
C00012540 [1S-(1alpha,2beta,5alpha)]-2-(1,2-Dimethylbicyclo[3.1.0]hex-2-yl)-5-methyl-2,5-cyclohexadiene-1,4-dione
(-)-Laurequinone
Laurequinone		 81.58
C00012911 Ivangustin 81.58
C00012940 Curcolone
Nehipetol
(8S-cis)-7,8,8a,9-Tetrahydro-8-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-4(6H)-one		 81.58
C00013038 Magnolialide
Splendolide
[3aS-(3aalpha,5abeta,6beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 81.58
C00013039 [3aS-(3aalpha,5aalpha,6alpha,9balpha)]- 3a,4,5,5a,6,7,8,9b-Octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one 81.58
C00013056 Rothin A
[3aR-(3aalpha,4alpha,5abeta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-4-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 81.58
C00013081 Barrelierin
Gracilin
Taurin
[3S-(3alpha,3aalpha,5abeta,9bbeta)]-3a,5,5a,7,8,9b-Hexahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione		 81.58
C00013082 Finitin
[3S-(3alpha,3aalpha,5abeta,9balpha)]-3a,5,5a,7,8,9b-Hexahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione		 81.58
C00015745 beta-Cannabispiranol 81.58
C00015752 Cannabispirone
Cannabispiran		 81.58
C00017501 Calcalal 81.58
C00018191 (-)-Merulidial
Merulidial		 81.58
C00019813 Citrubuntin 81.58
C00020116 Lacinilene C 81.58
C00020123 Mansonone G 81.58
C00020174 (1S,3R,4S)-Calamenene-3,7-diol 81.58
C00020177 3-Hydroxy-8-calamenenone
(1S,4R)-7-Hydroxycalamenen-3-one		 81.58
C00020183 Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate 81.58
C00020323 3alpha-Hydroxyoreadone 81.58
C00021111 2-[4-Methyl-2-(2-methylpropoxy)phenyl]-oxiranemethanol 81.58
C00021114 2-(2-Hydroxy-4-methylphenyl)-3-(2-methylpropoxy)-1,2-propanediol 81.58
C00021663 7-Hydroxy-10-dehydroxydeacetyldihydrobotrydial-1(10),5(9)-diene 81.58
C00021813 Cantabrenolic acid 81.58
C00021815 Cantabrenonic acid 81.58
C00022587 Isovalerylferulate 81.58
C00023717 Pyriculariol 81.58
C00029437 2,7-dihydroxy-11,12-dehydrocalamenene
(-)-2,7-dihydroxy-11,12-dehydrocalamenene		 81.58
C00034365 11-epi-Artesin 81.58
C00036366 1,13-Dihydroxyherbertene 81.58
C00036906 CID is old! 81.58
C00037189 Gloeophyllol C 81.58
C00037241 Heliannuol D
(+)-Heliannuol D		 81.58
C00037925 trans,trans-Xanthoxin 81.58
C00041270 3beta-Hydroxyaplysin
(-)-3beta-Hydroxyaplysin		 81.58
C00043285 Artemidiol 81.58
C00044488 8-Chlorogoniodiol 81.58
C00045588 7-Hydroxy-3-(2,3-dihydroxybutyl)-1(3H)-isobenzofuranone 81.58
C00046569 1-O-trans-p-Coumaroylglycerol 81.58
C00046922 Secobotrytriendiol
(+)-Secobotrytriendiol		 81.58
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