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


and

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




INPUT WORD = C00029345 , 50% or more
[ Metabolite Name : (3Z)-Hexenyl benzoate , cis-Hex-3-enyl benzoate , (Z)-3-Hexen-1-yl benzoate , (Z)-3-Hexenyl benzoate , cis-3-Hexenyl benzoate ]
Number of matched data : 65

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00035911 Benzyl hexanoate 93.33
C00049129 Capillaridin E 90.00
C00043462 Dracumerin 87.10
C00026250 Peganol
Peganol N-oxide		 86.67
C00031368 Senkyunolide A
(-)-Senkyunolide A		 86.67
C00035906 3',4',5,6,7-Pentahydroxyflavone
Phenylethyl tiglate		 86.67
C00040015 Pichiacin B 86.67
C00050108 Gibbilimbol C 86.67
C00050109 Gibbilimbol D 86.67
C00002361 Shihunine 84.38
C00011626 2-Methyl-6-(4-methylphenyl)-1-hepten-3-one
1,3,5,11-Bisabolatetraen-10-one		 84.38
C00011627 1,3,5-Bisabolatrien-10-one
2-Methyl-6-(4-methylphenyl)-3-heptanone		 84.38
C00016003 Phenethylcarbamic acid butyl ester
TMC 49A		 84.38
C00024216 Mysorenone B 84.38
C00034602 Methyl-4-(butyryloxy)benzoate 84.38
C00036094 Cinnamyl isovalerate 84.38
C00042565 Gossonorol 84.38
C00020072 (+)-Calamenene
(+)-cis-Calamenene		 83.87
C00020074 Calamenene
(-)-cis-Calamenene
L-Calamenene
(-)-Calamenene		 83.87
C00001282 Eutypine 83.33
C00003122 (S)-(+)-Curcumene
(S)-alpha-Curcumene		 83.33
C00011617 (R)-(-)-alpha-Curcumene
AR-Curcumene		 83.33
C00011618 Iso-alpha-curcumene 83.33
C00011630 beta-Curcumene
(-)-beta-Curcumene
l-beta-Curcumene		 83.33
C00029489 3-Butylidenephthalide 83.33
C00031469 (E)-4-(3,4-dimethoxyphenyl)but-3-en-1-ol
(E)-4-(3,4-Dimethoxyphenyl)-3-buten-1-ol		 83.33
C00032553 cis-Ligustilide
Z-Ligustilide		 83.33
C00036969 Cuminyl acetate 83.33
C00041261 2-Hexyl-5-methylresorcinol 83.33
C00041976 Z-Butylidenephthalide 83.33
C00002072 (-)-Sedamine
Sedamine		 81.82
C00013228 Liguhodgsonal
(R)-5,6,7,8-Tetrahydro-3-hydroxy-7-(1-methylethenyl)-1-naphthalenecarboxaldehyde		 81.82
C00019221 Benzyl benzoate 81.82
C00043132 (+)-(R)-(E)-3'-Hydroxyartemidin 81.82
C00011622 (R)-(-)-Xanthorrhizol
(R)-5-(1,5-Dimethyl-4-hexenyl)-o-cresol
Xanthorrhizol		 81.25
C00016097 YUA 001 81.25
C00040014 Pichiacin A 81.25
C00040817 3-Ethoxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone 81.25
C00000330 Capillarin 80.65
C00018100 Quinoline-2-methanol acetate
NSC 118158
Quinaldyl acetate		 80.65
C00026423 Edulitine
Robustinin
Robustinine		 80.65
C00000328 Capillin 80.00
C00001276 Carlina oxide 80.00
C00002150 Deoxyvasicinone 80.00
C00002191 Peganine
Vasicine
(-)-Linarine
(-)-Peganine
(-)-Vasicine		 80.00
C00002369 Withasomnine 80.00
C00011894 (R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene 80.00
C00011917 Senedigitalene 80.00
C00015013 Bhimanone 80.00
C00015410 (E)-2-(3-methoxy-3-methyl-1-butenyl)-1,4-benzenediol
F 11334B2		 80.00
C00021571 Dehydrobotrydienal 80.00
C00026246 Homoglomerine 80.00
C00033677 Bullatenone 80.00
C00035016 2-Phenylethyl benzoate
Phenylethyl benzoate		 80.00
C00035072 Cinnamyl acetate 80.00
C00035869 Pyrenulafuran 80.00
C00042167 7,10-Epoxy-ar-bisabol-11-ol 80.00
C00042589 Hofmeisterin 80.00
C00043916 Shinanolone 80.00
C00044407 (4S)-Shinanolone
(+)-(4S)-Shinanolone		 80.00
C00046194 N-Butylbenzamide 80.00
C00046581 3,4-Dimethoxymethylbenzoate 80.00
C00048195 Terricollene C 80.00
C00048327 Benzyl tiglate 80.00
C00049489 Morinin G
(-)-Morinin G		 80.00
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