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synonym
stringlengths
2
900
synonym_original
stringlengths
2
900
pubchem_cid
int64
1
53.6M
is_title
bool
1 class
acetyl-dl-carnitine
Acetyl-DL-carnitine
1
true
2-(acetyloxy)-3-carboxy-n,n,n-trimethylpropan-1-aminium
2-(Acetyloxy)-3-carboxy-N,N,N-trimethylpropan-1-aminium
2
true
5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
5,6-Dihydroxycyclohexa-1,3-diene-1-carboxylic acid
3
true
1-amino-2-propanol
1-Amino-2-propanol
4
true
3-amino-2-oxopropyl phosphate
3-Amino-2-oxopropyl phosphate
5
true
1-chloro-2,4-dinitrobenzene
1-Chloro-2,4-Dinitrobenzene
6
true
9-ethyladenine
9-Ethyladenine
7
true
4,5-dideoxy-3-c-methylpentonic acid
4,5-Dideoxy-3-C-methylpentonic acid
8
true
inositol, 1-(dihydrogen phosphate)
Inositol, 1-(dihydrogen phosphate)
9
true
1,2-dichloroethane
1,2-Dichloroethane
11
true
1,2,3,5-tetrahydroxybenzene
1,2,3,5-Tetrahydroxybenzene
12
true
1,2,4-trichlorobenzene
1,2,4-Trichlorobenzene
13
true
7-(3-hydroxy-5-oxo-2-(3-oxooct-1-enyl)cyclopentyl)heptanoic acid
7-(3-Hydroxy-5-oxo-2-(3-oxooct-1-enyl)cyclopentyl)heptanoic acid
14
true
17-hydroxyandrostan-3-one
17-Hydroxyandrostan-3-one
15
true
1,8-diazacyclotetradecane-2,9-dione
1,8-Diazacyclotetradecane-2,9-dione
16
true
2,3-dihydro-2,6-pyridinedicarboxylic acid
2,3-Dihydro-2,6-pyridinedicarboxylic acid
17
true
2,3-dioxo-l-gulonic
2,3-dioxo-L-gulonic
18
true
2,3-dihydroxybenzoic acid
2,3-Dihydroxybenzoic Acid
19
true
2,3-dihydroxybenzenepropanoic acid
2,3-Dihydroxybenzenepropanoic acid
20
true
2-ethyl-2-hydroxy-3-oxobutanoic acid
2-Ethyl-2-hydroxy-3-oxobutanoic acid
21
true
2-acetolactate
2-Acetolactate
22
true
2-amino-3-(3-oxo-1-propen-1-yl)-2-butenedioic acid
2-Amino-3-(3-oxo-1-propen-1-yl)-2-butenedioic acid
23
true
2-amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,4a,7,8a-tetrahydropteridin-4-one
2-Amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,4a,7,8a-tetrahydropteridin-4-one
24
true
1-(2-amino-7,8-dihydroxy-4-oxo-3,4a,7,8a-tetrahydropteridin-6-yl)propane-1,2-dione
1-(2-Amino-7,8-dihydroxy-4-oxo-3,4a,7,8a-tetrahydropteridin-6-yl)propane-1,2-dione
26
true
2,4-hexadienedioicacid, 2-amino-
2,4-Hexadienedioicacid, 2-amino-
28
true
2-amino-3-oxopropionic acid
2-Amino-3-oxopropionic acid
29
true
2-amino-6-oxo-2,4-hexadienoic acid
2-Amino-6-oxo-2,4-hexadienoic acid
30
true
(2,3,4-trihydroxy-3-methylbutyl) dihydrogen phosphate
(2,3,4-Trihydroxy-3-methylbutyl) dihydrogen phosphate
31
true
1,3-butadiene-1,1,4-tricarboxylic acid
1,3-Butadiene-1,1,4-tricarboxylic acid
32
true
chloroacetaldehyde
Chloroacetaldehyde
33
true
2-chloroethanol
2-Chloroethanol
34
true
(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid
(2-Chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid
35
true
3-isopropylmalic acid
3-Isopropylmalic Acid
36
true
3-deoxyhex-2-ulosonic acid
3-Deoxyhex-2-ulosonic acid
37
true
4-hydroxy-3,3-dimethyl-2-oxobutanoic acid
4-Hydroxy-3,3-dimethyl-2-oxobutanoic acid
38
true
keto-pantoyllactone
Keto-pantoyllactone
39
true
2-deoxyhexopyranose
2-Deoxyhexopyranose
40
true
2-hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate
2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate
41
true
2-hydroxy-6-oxo-2,4-nonadienedioic acid
2-Hydroxy-6-oxo-2,4-nonadienedioic acid
42
true
(+-)-2-hydroxyglutaric acid
(+-)-2-Hydroxyglutaric acid
43
true
tartronate
Tartronate
44
true
tartronic acid
Tartronic acid
45
true
3-deoxy-6-o-phosphonohex-2-ulosonic acid
3-Deoxy-6-O-phosphonohex-2-ulosonic acid
46
true
alpha-keto-beta-methylvaleric acid
alpha-Keto-beta-methylvaleric acid
47
true
2-oxoglutaramic acid
2-Oxoglutaramic acid
48
true
3-methyl-2-oxobutanoic acid
3-Methyl-2-oxobutanoic acid
49
true
2-hexulosonic acid
2-Hexulosonic acid
50
true
2-oxoglutaric acid
2-Oxoglutaric Acid
51
true
(2s,3r)-3-hydroxy-2-methylbutanoyl-coa
(2S,3R)-3-Hydroxy-2-methylbutanoyl-CoA
52
true
alphamethylacetoacetyl coa
alphamethylacetoacetyl CoA
53
true
s-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylbutanethioate
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylbutanethioate
54
true
3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)benzene-1,2-diol
3-(3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)benzene-1,2-diol
55
true
2-(3,7,11,15,19,23,27-heptamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)-6-methoxyphenol
2-(3,7,11,15,19,23,27-Heptamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)-6-methoxyphenol
56
true
2-(3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl)phenol
2-(3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl)phenol
57
true
2-oxobutanoic acid
2-Oxobutanoic Acid
58
true
2-phosphoglyceric acid
2-Phosphoglyceric Acid
59
true
((5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) (2,4-dihydroxy-3-methyl-3-phosphonooxybutyl) hydrogen phosphate
((5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) (2,4-dihydroxy-3-methyl-3-phosphonooxybutyl) hydrogen phosphate
60
true
diphosphoglyceric acid
Diphosphoglyceric acid
61
true
2,4,5-trichlorocyclohexa-2,5-dien-1-ol
2,4,5-Trichlorocyclohexa-2,5-dien-1-ol
62
true
2,4-diaminopentanoic acid
2,4-Diaminopentanoic acid
63
true
2,5-dichloro-2,5-cyclohexadiene-1,4-diol
2,5-Dichloro-2,5-cyclohexadiene-1,4-diol
64
true
2,5-dichlorohydroquinone
2,5-Dichlorohydroquinone
65
true
2,5-dichlorophenol
2,5-Dichlorophenol
66
true
2,5-diketogluconsaure
2,5-Diketogluconsaure
67
true
2-methyl-butan-1,2,3,4-tetraol-2,4-cyclopyrophosphate
2-Methyl-butan-1,2,3,4-tetraol-2,4-cyclopyrophosphate
68
true
2-hydroxy-6-oxo-2,4-heptadienoic acid
2-Hydroxy-6-oxo-2,4-heptadienoic acid
69
true
4-methyl-2-oxovaleric acid
4-Methyl-2-oxovaleric acid
70
true
2-oxoadipic acid
2-Oxoadipic acid
71
true
protocatechuic acid
Protocatechuic Acid
72
true
9-(3,5-di-o-phosphonopentofuranosyl)-9h-purin-6-amine
9-(3,5-Di-O-phosphonopentofuranosyl)-9H-purin-6-amine
73
true
3-oxobutanoyl-coa
3-oxobutanoyl-CoA
74
true
propanal, 3-amino-
Propanal, 3-amino-
75
true
3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta(a)phenanthren-17-one
3-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta(a)phenanthren-17-one
76
true
2-isopropylmalic acid
2-Isopropylmalic acid
77
true
beta-chloroalanine
beta-Chloroalanine
78
true
3-cyanopyridine
3-Cyanopyridine
79
true
4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid
4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid
80
true
4,5,6-trihydroxy-2-oxo-7-phosphonooxyheptanoic acid
4,5,6-Trihydroxy-2-oxo-7-phosphonooxyheptanoic acid
81
true
5-enolpyruvoylshikimate-3-phosphate
5-Enolpyruvoylshikimate-3-phosphate
82
true
3-hydroxy-3-methylglutaryl coa
3-Hydroxy-3-methylglutaryl CoA
84
true
1-propanaminium, 3-carboxy-2-hydroxy-n,n,n-trimethyl-, inner salt
1-propanaminium, 3-carboxy-2-hydroxy-n,n,n-trimethyl-, inner salt
85
true
3-hydroxyanthranilic acid
3-Hydroxyanthranilic Acid
86
true
3-hydroxyisobutyric acid
3-Hydroxyisobutyric acid
87
true
3-hydroxyisobutyryl-coenzyme a
3-hydroxyisobutyryl-Coenzyme A
88
true
3-hydroxykynurenine
3-Hydroxykynurenine
89
true
3-hydroxyhexanedioyl-coa
3-hydroxyhexanedioyl-CoA
90
true
3-(3'-hydroxyphenyl)propionic acid
3-(3'-Hydroxyphenyl)propionic acid
91
true
6'-methoxycinchonan-3,9-diol
6'-Methoxycinchonan-3,9-diol
92
true
beta-ketoadipic acid
beta-Ketoadipic acid
93
true
cid94; (acyl-coa); (m+h)+
CID94; (Acyl-CoA); (M+H)+
94
true
2,4,5,6-tetrahydroxy-3-oxohexanoic acid
2,4,5,6-Tetrahydroxy-3-oxohexanoic acid
95
true
acetoacetic acid
Acetoacetic Acid
96
true
3,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-one
3,5-Dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-one
97
true
mercaptopyruvic acid
Mercaptopyruvic acid
98
true
3-methylcrotonyl coa
3-Methylcrotonyl CoA
99
true
4-hydroxy-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)benzoic acid
4-Hydroxy-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)benzoic acid
100
true
3-hydroxybenzaldehyde
3-Hydroxybenzaldehyde
101
true
3-hydroxybenzyl alcohol
3-Hydroxybenzyl alcohol
102
true
3-oxo-cholyl-coa; (acyl-coa); [m+h]+
3-oxo-cholyl-CoA; (Acyl-CoA); [M+H]+
103
true
3-oxoadipate enol-lactone
3-Oxoadipate enol-lactone
104
true
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