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


and

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




INPUT WORD = C00022391 , 50% or more
[ Metabolite Name : Ballotinone , 7-Oxomarrubiin ]
Number of matched data : 77

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00048283 3alpha-Hydroxymarrubiin
(+)-3alpha-Hydroxymarrubiin		 98.11
C00022266 Peregrinin 96.23
C00022288 Ballonigrinone 96.23
C00022289 18-Hydroxyballonigrine 96.23
C00022394 Ballotenol 96.23
C00041663 Marrulibanoside 96.23
C00003452 Marrubiin 94.34
C00022287 Ballonigrin
Ballonigrine		 94.34
C00022392 Leonotin 94.34
C00023367 Isodihydroclutiolide 94.34
C00035425 Velutine C 94.34
C00022217 Leonotinin 92.59
C00023348 Preperegrinin 92.59
C00048251 13S-Preperegrinine
(+)-13S-Preperegrinine		 92.59
C00022294 Marrubenol 92.45
C00023347 (13S)-Premarrubiin 92.45
C00023366 Dihydroclutiolide 92.45
C00030661 Limbatenolide E
(+)-Limbatenolide E		 92.45
C00031960 Leoheterin
(+)-Leoheterin		 92.45
C00022315 5-Episophocarpine 90.74
C00033162 Marrubinone B
(+)-Marrubinone B:Polyodonin		 90.74
C00035207 15-epi-Cyllenine A 90.74
C00035287 Cyllenine A 90.74
C00041247 15-epi-Cyllenin A 90.74
C00041472 Cyllenin A 90.74
C00043601 Hypopurin B
(+)-Hypopurin B		 90.74
C00003476 (13R)-Premarrubiin 90.57
C00022271 7-Hydroxylambertianic acid 90.57
C00022383 15,16-Epoxy-20-oxo-8(17),13(16),14-labdatrien-19-oic acid methyl ester 90.57
C00023350 Sciadin 90.57
C00023363 Wightionolide 90.57
C00023365 Clutiolide 90.57
C00023370 Galeopsitrione 90.57
C00023397 Haplomitrenolide B 90.57
C00030660 Limbatenolide D 90.57
C00031965 Leoheteronin E
(-)-Leoheteronin E
Isoleopersin G		 90.57
C00038325 7R-Hydroxy-14-deoxyandrographolide 90.57
C00038326 7S-Hydroxy-14-deoxyandrographolide 90.57
C00043602 Hypopurin C
(+)-Hypopurin C		 90.57
C00022259 Calyone 89.29
C00022260 Galeopsin 89.29
C00043919 Sibiricinone C
(+)-Sibiricinone C		 89.29
C00022429 Rupestralic acid 89.09
C00022317 18-Oxoaustrochaparol acetate 88.89
C00031513 15-Methoxypinusolidic acid
(+)-15-Methoxypinusolidic acid		 88.89
C00038003 Vitetrifolin B
(-)-Vitetrifolin B		 88.89
C00038004 Vitetrifolin C
(+)-Vitetrifolin C		 88.89
C00043917 Sibiricinone A
(+)-Sibiricinone A		 88.89
C00017377 ,[1aR-[1aalpha,3alpha(Z),4beta,4abeta,5beta,9alphaS*]]-1a,2,4,4a,5,9-Hexahydro-5-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-butenoic acid 88.68
C00022268 Hispanolone 88.68
C00022272 17-Hydroxyisolambertianic acid 88.68
C00022314 (+)-Isomatrine
Isomatrine		 88.68
C00022320 Polyalthic acid 88.68
C00022321 Lambertianic acid 88.68
C00022543 6beta-Hydroxy-incana-pteroniolide 88.68
C00022769 ent-8(17),13-Labdadien-15,16-olid-18-oic acid 88.68
C00022770 Pinusolidic acid 88.68
C00022771 Pinusolide 88.68
C00023344 Nivenolide 88.68
C00023394 ent-15,16-Epoxy-2beta,3beta,19-trihydroxy-18-nor-13(16),14-labdadiene-7,12-dione 88.68
C00023396 Haplomitrenolide A 88.68
C00023461 Gutierrezial 88.68
C00031972 Leopersin C 88.68
C00032062 Neocaesalpin H
Dipteryxic acid		 88.68
C00033161 Marrubiglobosin
(+)-Marrubiglobosin		 88.68
C00035728 Preleoheterin 88.68
C00036099 Cornutin E
(-)-Cornutin E		 88.68
C00041244 14-Deoxy-17-hydroxyandrographolide
(-)-14-Deoxy-17-hydroxyandrographolide		 88.68
C00041483 Deacetylvitexilactone
(+)-Deacetylvitexilactone		 88.68
C00041603 isoandrographolide 88.68
C00043600 Hypopurin A
(+)-Hypopurin A		 88.68
C00043603 Hypopurin D
(+)-Hypopurin D		 88.68
C00050247 Teumassilenin B
(+)-Teumassilenin B		 88.68
C00050317 15-epi-Leopersin J 88.68
C00050374 Leopersin G
(+)-Leopersin G		 88.68
C00050377 Leopersin J 88.68
C00050378 Leopersin K
(-)-Leopersin K		 88.68
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