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


and

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





INPUT WORD = C00016586 , 50% or more
[ Metabolite Name : ATF-606 , Melanoxadin , Melanoxadine ]
Number of matched data : 146

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00027906 CID is old! 95.83
C00016231 (E)-3-Hydroxy-2-(4-oxazolylmethylene)-butanal
Melanoxazal
87.50
C00032047 Myrothenone A
(+)-Myrothenone A
87.50
C00002103 Otonecine 84.62
C00002083 Crotanecine 84.00
C00002089 Heliotridine 83.33
C00002108 Retronecine 83.33
C00037556 N-Methyl-calystegine B2 81.48
C00025550 3alpha-Acetoxynortropane
Nortropine acetate
O-Acetylnortropine
80.00
C00000838 3,4-Menthone lactone 79.17
C00001422 Muscarine 79.17
C00001551 Pyridoxine 79.17
C00002282 Calystegin A3
Calystegine A3
79.17
C00007645 2-Oxo-7-methylthioheptanoic acid
7-Methylthio-2-heptanoic acid
79.17
C00010329 Lepalone 79.17
C00010330 Lepalol 79.17
C00010443 1,4-Ochtodiene-3,6-diol
1-ethenyl-5,5-dimethyl-2-cyclohexene-1,4-diol
79.17
C00010917 1-Methyl-4-(1-methylethyl)-3-cyclohexene-1,2-diol 79.17
C00027602 (-)-allo-Muscarine 79.17
C00036863 Calystegine A5 79.17
C00036865 Calystegine A7 79.17
C00039848 Nigrosporapyrone
(-)-Nigrosporapyrone
79.17
C00044165 Ethyl N-methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylate 79.17
C00045360 N-Methyl 1-Deoxymannojirimycin 79.17
C00010817 1,2-Dihydroxy-p-menth-3-en-5-one 76.92
C00017968 Antibiotic C 2554A-II
Antibiotic XB 94F2
Pentenomycin II
76.92
C00039026 Dihydroaspyrone
(+)-Dihydroaspyrone
76.92
C00002060 Nitramine 76.00
C00002226 (-)-Lupinine 76.00
C00002283 Calystegin B2
Calystegine B2
76.00
C00003027 Ascaridole 76.00
C00007678 (+)-Epilupinine 76.00
C00010310 2,6-Dimethyl-7-octene-2,3,6-triol 76.00
C00010617 Boonein 76.00
C00010819 1-Methyl-4-(1-methylethenyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
1,4-Epidioxy-p-mentha-2,8-diene
76.00
C00018688 NSC 525602
Primocarcin
76.00
C00026303 CID is old! 76.00
C00028072 Clavulazine 76.00
C00029722 Argyol 76.00
C00031034 Piperonylic acid
3,4-Methylenedioxybenzoic acid
76.00
C00035552 Calystegine B3
(+)-Calystegine B3
76.00
C00036627 Coixol
6-Methoxybenzoxazolin-2(3H)-one
6-Methoxy-benzoxazolin-2(3H)-one
MBOA
76.00
C00036866 Calystegine B4 76.00
C00037139 Ferruginine
(+)-Ferruginine
76.00
C00037281 Hyacinthacine A1
(+)-Hyacinthacine A1
(1S,2R,2R,3R,7aR)-1,2-Dihydroxy-3-hydroxymethylpyrrolizidine
76.00
C00037282 Hyacinthacine A2
(+)-Hyacinthacine A2
(1R,2R,2R,3R,7aR)-1,2-Dihydroxy-3-hydroxymethylpyrrolizidine
76.00
C00043623 Isotsaokoin 76.00
C00049982 Amphorogynine D
(+)-Amphorogynine D
76.00
C00030545 Isosafrol glycol 75.86
C00000147 cis-p-Menthane-3,8-diol 75.00
C00000148 trans-p-Menthane-3,8-diol 75.00
C00000737 2,3-Dihydro-2,3-dihydroxybenzoic acid 75.00
C00000771 alpha-Ketopimelic acid
alpha-Oxopimelic acid
75.00
C00001114 D-Cymarose
2,6-Dideoxy-3-O-methyl-beta-D-ribo-hexopyranose
75.00
C00001203 Shikimic acid
Shikimatic acid
75.00
C00001303 Chalcogran 75.00
C00001316 Lilac aldehyde 75.00
C00001363 L-Histidine
L-His
75.00
C00001961 Actinidine 75.00
C00002050 Lentiginosine 75.00
C00002302 Scopoline 75.00
C00002689 3'-Methoxy-4'-hydroxyacetophenone
Acetovanillone
Apocynin
75.00
C00003042 Diosphenol
Buccocamphor
75.00
C00003055 Piquerol A 75.00
C00007509 Pyridoxal 75.00
C00010290 2,6-Dimethyl-1,7-octadiene-3,6-diol 75.00
C00010297 3,7-Dimethyl-2,7-octadiene-1,6-diol 75.00
C00010319 Perilla ketone
1-(3-Furanyl)-4-methyl-1-pentanone
75.00
C00010325 Epoxylinalool
Linalool oxide
3-Hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran
75.00
C00010327 3-Oxo-2,2,6-trimethyl-6-vinyltetrahydropyran
2,6,6-Trimethyl-2-vinyl-5-ketotetrahydropyran
75.00
C00010331 Lilac alcohol a 75.00
C00010332 Lilac alcohol b 75.00
C00010333 Lilac alcohol c
Lilac alcohol C
75.00
C00010334 Lilac alcohol d 75.00
C00010335 Linalyl oxide
2,6-Dimethyl-3,6-oxido-7-octen-2-ol
75.00
C00010341 3-(4-Methyl-1,4-pentadienyl)furan
Lepalene
75.00
C00010355 (R)-2,5-Dimethyl-4-vinyl-5-hexene-2,3-diol 75.00
C00010356 (S)-2,5-Dimethyl-4-vinyl-5-hexene-2,3-diol 75.00
C00010370 Santolinolide B 75.00
C00010442 (5R,6R)-1,3(8)-Ochtodiene-5,6-diol 75.00
C00010444 (E)-2,4-Ochtodiene-1,6-diol 75.00
C00010445 (Z)-2,4-Ochtodiene-1,6-diol 75.00
C00010529 Cistanin 75.00
C00010892 trans-p-Menthane-1,4-diol 75.00
C00010895 (1R,2R,4R,5S)-(+)-p-Menthane-2,5-diol 75.00
C00010918 (1R-trans)-1-Methyl-4-(1-methylethyl)-4-cyclohexene-1,2-diol 75.00
C00010924 8,9-p-Menthen-1,2-diol
8-p-Menthene-1,2-diol
Limonene glycol
d-Limonene-1,2-diol
p-Menth-8-ene-1,2-diol
75.00
C00011005 4,4-Dimethyl-2,6-cycloheptadienecarboxylic acid 75.00
C00015390 FO 6903B
Pentenocin B
75.00
C00016727 (+)-Decarestrictin L
(+)-Decarestrictine L
Decarestrictin L
SM 240
75.00
C00017741 Deoxyvalidamine 75.00
C00018027 Antibiotic U 43795
Hydroxyacivicin
NSC 176324
U 43795
U 43795E
75.00
C00018098 Rancinamycin III 75.00
C00018553 Antibiotic MM 14201 75.00
C00019556 1-Undecanol
Undecan-1-ol
Undecanol
75.00
C00023641 Epoformin
Desoxyepoxydon 2,3-Epoxy-4-hydroxy-6-methyl-5-cyclohexen-1-one
75.00
C00023991 Oxysporone 75.00
C00024002 Deoxypatulinic acid
2,3-Dihydro-4-pyrone-5-acetic acid
75.00
C00024006 Penicillic acid
3-Methoxy-5-methyl-4-oxo-2,5-hexadienoic acid
75.00
C00025548 CID is old! 75.00
C00025549 3alpha,7beta-Dihydroxytropane 75.00
C00029478 3,4'-Dihydroxypropiophenone
4-Hydroxy-(3-hydroxypropionyl)benzene
75.00
C00030691 L-Theanine
Theanine
(+)-Theanine
75.00
C00032442 Undecanal 75.00
C00032695 Acetoisovanillone
Isoacetovanillone
75.00
C00033557 CID is old! 75.00
C00033619 Aglatenol 75.00
C00034496 trans-Furanoid linalool oxide
trans-Linalool oxide
E-Furanoid linalool oxide
75.00
C00034724 Theobroxide
(-)-Theobroxide
75.00
C00034746 Z-Furanoid linalool oxide 75.00
C00034747 cis-Linalool oxide pyranoid
Z-Pyranoid linalool oxide
75.00
C00034760 2-Decanone 75.00
C00035382 Rengyolone 75.00
C00035557 Caprylyl acetate
1-Octyl acetate
75.00
C00035767 trans-2-Hexenyl butyrate 75.00
C00036397 10-Deoxyeucommiol 75.00
C00036452 2,3-Dimethyl-6-isopropyl-4H-pyran 75.00
C00036517 3,5-dichloro-4-methoxybenzyl alcohol 75.00
C00037654 Piquerol B 75.00
C00038523 Aspinonediol
(+)-Aspinonediol
75.00
C00038525 Aspinotriol A
(-)-Aspinotriol A
75.00
C00038526 Aspinotriol B
(+)-Aspinotriol B
75.00
C00040943 Dictafolin B 75.00
C00041256 1S,2S,4R-Limonene-1,2-diol
(+)-1S,2S,4R-Limonene-1,2-diol
75.00
C00041754 Phomalactone
(+)-Phomalactone
75.00
C00041987 (-)-Echinobetaine A 75.00
C00042233 Aquilegiolide
(-)-Aquilegiolide
75.00
C00042728 Menisdaurilide
(-)-Menisdaurilide
75.00
C00042777 N-Methyldopamine 75.00
C00043206 5-(4-Pentenyl)-2-furaldehyde 75.00
C00043215 5-Pentyl-2-furaldehyde 75.00
C00043313 Biformin 75.00
C00044164 Ethyl nicotinate 75.00
C00044826 Isovanillin 75.00
C00044988 p-(Acetylamino)benzyl alcohol 75.00
C00045982 Gymnasterkoreayne A
(-)-Gymnasterkoreayne A
75.00
C00046051 CID is old! 75.00
C00047056 CID is old! 75.00
C00049004 Methyl nonanoate 75.00
C00049046 CID is old! 75.00
C00049081 3,7-Dimethyl-5-hydroxyoct-1-en-6-one
(+)-3,7-Dimethyl-5-hydroxyoct-1-en-6-one
75.00
C00049957 5-Bromopyrrole-2-(N-methoxymethyl)carboxamide 75.00
C00050207 Pyridinebetaine A 75.00
C00050346 Cleroindicin C
(-)-Cleroindicin C
75.00
C00050348 Cleroindicin E
(+)-Cleroindicin E
75.00
C00050349 Cleroindicin F
(-)-Cleroindicin F
75.00
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