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


and

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




INPUT WORD = C00033162 , 50% or more
[ Metabolite Name : Marrubinone B , (+)-Marrubinone B:Polyodonin ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003476 (13R)-Premarrubiin 96.30
C00023348 Preperegrinin 96.30
C00033161 Marrubiglobosin
(+)-Marrubiglobosin		 96.30
C00048251 13S-Preperegrinine
(+)-13S-Preperegrinine		 96.30
C00023347 (13S)-Premarrubiin 94.44
C00035207 15-epi-Cyllenine A 94.44
C00035287 Cyllenine A 94.44
C00041247 15-epi-Cyllenin A 94.44
C00041472 Cyllenin A 94.44
C00042055 15-epi-Leopersin O 92.73
C00042056 15-epi-Leopersin Q 92.73
C00042690 Leopersin O 92.73
C00042691 Leopersin Q 92.73
C00050375 Leopersin H
(+)-Leopersin H		 92.73
C00022217 Leonotinin 92.59
C00022266 Peregrinin 92.59
C00022392 Leonotin 92.59
C00031972 Leopersin C 92.59
C00035728 Preleoheterin 92.59
C00041625 Leucasperol A 92.59
C00041626 Leucasperol B 92.59
C00050317 15-epi-Leopersin J 92.59
C00050377 Leopersin J 92.59
C00050378 Leopersin K
(-)-Leopersin K		 92.59
C00035715 Otostegin A
(-)-Otostegin A		 91.23
C00035423 Velutine A 91.07
C00023349 Rotundifuran 90.91
C00043159 15-epi-Sibiricinone D 90.91
C00043160 15-epi-Sibiricinone E 90.91
C00043920 Sibiricinone D 90.91
C00043921 Sibiricinone E 90.91
C00003452 Marrubiin 90.74
C00022391 Ballotinone
7-Oxomarrubiin		 90.74
C00022394 Ballotenol 90.74
C00023367 Isodihydroclutiolide 90.74
C00031507 15-Epileoheteronone B 90.74
C00031967 Leoheteronone B 90.74
C00035425 Velutine C 90.74
C00041663 Marrulibanoside 90.74
C00043917 Sibiricinone A
(+)-Sibiricinone A		 90.74
C00045995 Haterumaimide F
(+)-Haterumaimide F		 90.74
C00045996 Haterumaimide G
(+)-Haterumaimide G		 90.74
C00048283 3alpha-Hydroxymarrubiin
(+)-3alpha-Hydroxymarrubiin		 90.74
C00035208 15-veratroyl-17-acetyl-19-oxodictizine 89.66
C00023346 Precalyone 89.47
C00031083 Previtexilactone 89.47
C00022433 13-Hydroxyballonigrinolide 89.09
C00042225 Amethystonoic acid
(-)-Amethystonoic acid		 89.09
C00042404 Coetsanoic acid 89.09
C00045998 Haterumaimide I
(+)-Haterumaimide I		 89.09
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