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


and

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




INPUT WORD = C00045040 , 50% or more
[ Metabolite Name : Reissantin C ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00045038 Reissantin A 86.14
C00013169 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-4,5-bis(Acetyloxy)-6-(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid 85.15
C00046249 Orbiculin F
(+)-Orbiculin F		 85.15
C00013130 Ejap 6 84.16
C00013154 [3S-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol, 5-acetate 4,6-dibenzoate 84.16
C00013129 Maytolidine 83.96
C00013142 Ejap 5
[3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 5,6,7,10-tetraacetate 4-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol		 83.17
C00013164 Acetylmaymyrsine
Maymyrsine acetate
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-7-(benzoyloxy)octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 83.17
C00013172 Acetyleumaitenol
[3R-(3alpha,4alpha,5beta,8aalpha,6alpha,9beta,9aalpha,10R*)]-4,6-bis(Acetyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5,10-diyl ester 3-furancarboxylic acid		 83.17
C00039807 Mutangin 83.17
C00043629 Kansuinin G
(-)-Kansuinin G		 83.17
C00013121 O2-Deacetylevonine 83.02
C00013144 Celahin D
Elat 5
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol 6,7,10-triacetate 4,5-dibenzoate		 82.69
C00013124 Evozine
O6,O9-Dideacetylevonine		 82.18
C00013131 Celangulin 82.18
C00013133 Cathidine D 82.18
C00038159 Taxayunnansin A
Taxayuntin
13-Decinnamoyl-taxchinin B		 82.18
C00043055 Tasumatrol E
(+)-Tasumatrol E		 82.18
C00043389 Chiapenine ES-IV 81.48
C00013148 Triptofordin D 2
[3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-4,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-6-yl ester 3-phenyl-2-propenoic acid		 81.37
C00037888 Taxinine M 81.37
C00001968 Celapanine 81.19
C00013123 O2,O6-Dideacetylevonine 81.19
C00013128 Maytoline 81.19
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 81.19
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 81.19
C00013145 Ejap 4
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 4,6,7,10-tetraacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol		 81.19
C00013153 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 4,5,10-triacetate 6-benzoate 81.19
C00013122 Evorine
Neoevonin
O6-deacetylevonine		 81.13
C00013138 Euolalin
[3R-[3alpha,5beta(S*),5aalpha,6alpha,7alpha,9beta,9aalpha,10R*]]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-6,7-bis(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 2-methylbutanoic acid		 80.77
C00041004 Humilinolide F
(-)-Humilinolide F		 80.58
C00001967 Catheduline E2 80.37
C00013114 Cathedulin K 15
Catheduline K 15		 80.36
C00013167 Cathedulin 8
Cathedulin E 8
Catheduline E 8
(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha)-[6,7-bis(Acetyloxy)-5-(benzoyloxy)octahydro-4-hydroxy-2,2,9-trimethyl-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester 3-pyridinecarboxylic acid		 80.20
C00013168 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5-(Acetyloxy)-6-(benzoyloxy)octahydro-4,9-dihydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid 80.20
C00038990 Deoxyjesaconitine 80.20
C00040780 1beta-Hydroxybaccatin I 80.20
C00040891 Baccatin IV 80.20
C00041193 Taxuspine L 80.20
C00041970 Xyloccensin Z1 80.20
C00042305 Briaranolide C
(+)-Briaranolide C		 80.20
C00047913 Granatumin F
(+)-Granatumin F		 80.20
C00049438 Comptonine
(+)-Comptonine		 80.20
C00049531 Taxchinin M
(-)-Taxchinin M		 80.20
C00013099 Acanthothamine
[8R-(8R*,9R*,10R*,11S*,12S*,13R*,14R*,15S*,18S*,19S*,20S*,21S*,22R*)]-13,14,21-Tris(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,18,19-decahydro-10,20,22-trihydroxy-8,18,19,20-tetramethyl-8,11-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridine-5,17-dione		 80.19
C00037808 Segetene B
(-)-Segetene B		 80.19
C00045039 Reissantin B 79.65
C00038185 1alpha,2alpha-Diacetoxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran
(+)-1alpha,2alpha-Diacetoxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran		 79.44
C00033278 Orthosiphonone A
(-)-Orthosiphonone A		 79.41
C00027888 Aquifoliunine E-II 79.25
C00050093 Esulatin A
(-)-Esulatin A		 79.25
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