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


and

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




INPUT WORD = C00003476 , 50% or more
[ Metabolite Name : (13R)-Premarrubiin ]
Number of matched data : 61

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00023347 (13S)-Premarrubiin 98.08
C00033162 Marrubinone B
(+)-Marrubinone B:Polyodonin		 96.30
C00035728 Preleoheterin 96.15
C00023348 Preperegrinin 94.44
C00048251 13S-Preperegrinine
(+)-13S-Preperegrinine		 94.44
C00033161 Marrubiglobosin
(+)-Marrubiglobosin		 94.34
C00003452 Marrubiin 94.23
C00023349 Rotundifuran 92.73
C00035207 15-epi-Cyllenine A 92.59
C00035287 Cyllenine A 92.59
C00041247 15-epi-Cyllenin A 92.59
C00041472 Cyllenin A 92.59
C00022266 Peregrinin 92.45
C00022392 Leonotin 92.45
C00031972 Leopersin C 92.45
C00041625 Leucasperol A 92.45
C00041626 Leucasperol B 92.45
C00050317 15-epi-Leopersin J 92.45
C00050377 Leopersin J 92.45
C00050378 Leopersin K
(-)-Leopersin K		 92.45
C00022294 Marrubenol 92.31
C00022302 Lagochilin 92.31
C00022354 Epijabugotriol 92.31
C00022394 Ballotenol 92.31
C00031508 15-Epileoheteronone D 92.31
C00042055 15-epi-Leopersin O 90.91
C00042056 15-epi-Leopersin Q 90.91
C00042690 Leopersin O 90.91
C00042691 Leopersin Q 90.91
C00050375 Leopersin H
(+)-Leopersin H		 90.91
C00022217 Leonotinin 90.74
C00022391 Ballotinone
7-Oxomarrubiin		 90.57
C00031507 15-Epileoheteronone B 90.57
C00031967 Leoheteronone B 90.57
C00035425 Velutine C 90.57
C00041663 Marrulibanoside 90.57
C00048283 3alpha-Hydroxymarrubiin
(+)-3alpha-Hydroxymarrubiin		 90.57
C00000274 Nagilactone G 90.38
C00000873 Aphidicolin
Aphidicolane-3alpha,16,17,18-tetraol		 90.38
C00003423 Diterpenoid SP-II 90.38
C00022227 (14S)-14,15-Dihydroxy-8(17),13(16)-labdadien-19-oic acid 90.38
C00022249 (ent-13S)-15,16-Dihydroxy-8(17)-labden-18-oic acid 90.38
C00022276 6alpha-Hydroxygrindelic acid 90.38
C00022277 6beta-Hydroxygrindelic acid 90.38
C00022292 18-Acetoxy-6-oxogrindelic acid 90.38
C00022383 15,16-Epoxy-20-oxo-8(17),13(16),14-labdatrien-19-oic acid methyl ester 90.38
C00022423 Hartwrightia acid 90.38
C00022638 4alpha-Carboxygrindelic acid 90.38
C00022641 7alpha-Hydroxy-8(17)-dehydrogrindelic acid 90.38
C00022643 Strictanonoic acid
Chrysothame		 90.38
C00022769 ent-8(17),13-Labdadien-15,16-olid-18-oic acid 90.38
C00023303 Junicedric acid 90.38
C00023350 Sciadin 90.38
C00023944 CID is old! 90.38
C00030660 Limbatenolide D 90.38
C00030661 Limbatenolide E
(+)-Limbatenolide E		 90.38
C00031557 Acanthokoreoic acid A 90.38
C00031960 Leoheterin
(+)-Leoheterin		 90.38
C00031969 Leoheteronone D 90.38
C00045520 16alpha,17-Dihydroxy-ent-kauran-19-oic acid
(-)-16alpha,17-Dihydroxy-ent-kauran-19-oic acid		 90.38
C00049850 CID is old! 90.38
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