| CID |
Compound name |
Class |
Formula |
CAS No. |
| 5002 |
10-Oxotrans-
8-decenoic
acid |
Organic acid |
C10H16O3 |
69152-89-2 |
| 5003 |
Ferulic acid |
Phenolic compound |
C10H10O4 |
537-98-4 |
| 22008 |
Gentisic acid |
Phenolic compound |
C7H6O4 |
490-79-9 |
| 22009 |
Homogentisic acid |
Phenolic compound |
C8H8O4 |
451-13-8 |
| 1213 |
Protocatechuic acid |
Phenolic compound |
C7H6O4 |
99-50-3 |
| 1219 |
Caffeic acid |
Phenolic compound |
C9H8O4 |
331-39-5 |
| 1214 |
Gallic acid |
Phenolic compound |
C7H6O5 |
149-91-7 |
| 22010 |
Myricetin |
Phenolic compound |
C15H10O8 |
529-44-2 |
| 22015 |
alpha-Tocopherol |
Vitamin |
C29H50O2 |
59-02-9 |
| 5004 |
Benzene,1-chloro-4-methoxy- |
Aromatic compompound |
C7H7ClO |
623-12-1 |
| 5005 |
Benzeneacetic acid |
Organic acid |
C8H8O2 |
103-82-2 |
| 5006 |
1,54-dibromotetrapentacontane |
Alkane |
C54H108Br2 |
852228-22-9 |
| 5007 |
Heptacosane |
Alkane |
C27H56 |
593-49-7 |
| 5008 |
Hexadecane |
Alkane |
C16H34 |
544-76-3 |
| 5009 |
Hexatriacontane |
Alkane |
C36H74 |
630-06-8 |
| 5010 |
Dodecane |
Alkane |
C12H26 |
112-40-3 |
| 5011 |
Docosane |
Alkane |
C22H46 |
629-97-0 |
| 5012 |
Pentadecane |
Alkane |
C15H32 |
629-62-9 |
| 5013 |
3-ethyltetracosane |
Alkane |
C26H54 |
55282-17-2 |
| 5014 |
9-octylheptadecane |
Alkane |
C25H52 |
7225-64-1 |
| 5015 |
Triacontane |
Alkane |
C30H62 |
638-68-6 |
| 5016 |
Tetratriacontane |
Alkane |
C34H70 |
14167-59-0 |
| 5017 |
Nonadecane |
Alkane |
C19H40 |
629-92-5 |
| 5018 |
7,9-di-tert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione |
Alkane |
C17H24O3 |
82304-66-3 |
| 5019 |
7-hexyldocosane |
Alkane |
C28H58 |
55373-86-9 |
| 5020 |
eicosane |
Alkane |
C20H42 |
112-95-8 |
| 5021 |
Heptadecane |
Alkane |
C17H36 |
629-78-7 |
| 5022 |
Tetracosane |
Alkane |
C24H50 |
646-31-1 |
| 5023 |
Octadecane |
Alkane |
C18H38 |
593-45-3 |
| 3031 |
Tridecane |
Hydrocarbon |
C13H28 |
629-50-5 |
| 5024 |
Octacosane |
Alkane |
C28H58 |
630-02-4 |
| 5025 |
2,2'-bi-1,3-dioxolane,4,4,4',4',5,5,5',5'-octamethyl- |
Alkane |
C14H26O4 |
35528-76-8 |
| 5026 |
ethane,1,1-dichloro-2,2-difluoro- |
Alkane |
C2H2Cl2F2 |
471-43-2 |
| 5027 |
ethane,2,2-dichloro-1,1,1-trifluoro- |
Alkane |
C2HCl2F3 |
306-83-2 |
| 5028 |
5-(acetyloxy)-2-pentanone |
Alkane |
C7 H12 O3 |
5185-97-7 |
| 5029 |
(2Z,13E)-2,13-octadecadien-1-ol |
Alcohol |
C18H34O |
403857-84-1 |
| 5030 |
cyclohexanol,1R-4-acetamido-2,3-cis-epoxy |
Alcohol |
C8H13NO3 |
77803-84-0 |
| 5031 |
1,3-benzenediol,5-pentyl |
Alcohol |
C11H16O2 |
500-66-3 |
| 5032 |
N-1,N-1-dimethyl-N-2-N-pentylformamidine |
imidamide |
C9H12N2 |
1783-25-1 |
| 5033 |
N-methylmaleamic acid |
amide |
C5H7NO3 |
6936-48-7 |
| 5034 |
N-(3-chlorophenyl)naphthalene-1-carboxamide |
amide |
C17H12ClNO |
551926-04-6 |
| 5035 |
9-octadecenamide, (Z) [cis-linoleic amide] |
amide |
C18H35NO |
3322-62-1 |
| 3041 |
9-Octadecanamide |
Fatty acid |
C18H35NO |
301-02-0 |
| 5036 |
pentadecanoic |
Fatty acid |
C15H30O2 |
1002-84-2 |
| 5037 |
Lauric acid |
Fatty acid |
C12H24O2 |
143-07-7 |
| 5038 |
Myristic acid |
Fatty acid |
C14H28O2 |
544-63-8 |
| 5039 |
Nonanoic acid |
Fatty acid |
C9H18O2 |
112-05-0 |
| 5040 |
9,12-octadecadienoic acid (Z,Z)-,2-hydroxy-1-(hydroxymethyl) ethyl ester |
Ester |
C21H38O4 |
3443-82-1 |
| 5041 |
hexadecanoic acid, ethyl ester |
Ester |
C18H36O2 |
628-97-7 |
| 5042 |
didecyl phthalate |
Ester |
C28H46O4 |
84-77-5 |
| 5043 |
2-ethylhexyl methacrylate |
Ester |
C12H22O2 |
688-84-6 |
| 5044 |
di-hexylphthalate |
Ester |
C20H30O4 |
68515-50-4 |
| 5045 |
ethyl oleate |
Ester |
C20H38O2 |
111-62-6 |
| 5046 |
1,2-benzenedicarboxylic acid,butyl-8-methyl nonyl ester |
Ester |
C22H34O4 |
42343-36-2 |
| 5047 |
pentadecanoic acid,ethyl ester |
Ester |
C17H34O2 |
41114-00-5 |
| 5048 |
1,2-benzenedicarboxylic acid, ditridecyl ester |
Ester |
C34H58O4 |
119-06-2 |
| 5049 |
1-heneicosyl formate |
Ester |
C22H44O2 |
77899-03-7 |
| 5050 |
L-proline,N-ethoxycarbonyl-,butyl ester |
Ester |
C12H21NO4 |
CID_6423133 |
| 5051 |
sulfurous acid, hexyl octyl ester |
Sulfite |
C14H30O3S |
CID_6420812 |
| 5052 |
sulfurous acid, butyl dodecyl ester |
Sulfite |
C16H34O3S |
959095-65-9 |
| 5053 |
6-tetradecanesulfonic acid, butyl ester |
Ester |
C18H38O3S |
958990-87-9 |
| 5054 |
cyclohexanecarboxylic acid,2,2-dimethyl propyl ester |
Ester |
C12H22O2 |
1702971-40-1 |
| 5055 |
butyl citrate |
Ester |
C18H32O7 |
77-94-1 |
| 5056 |
(2,4,6-tribromophenyl) decanoate |
Ester |
C16H21Br3O2 |
380225-97-8 |
| 5057 |
hexadecanoic acid,2-hydroxy-1-(hydroxyl methyl) ethyl ester |
Ester |
C19H38O4 |
23470-00-0 |
| 5058 |
butanoic acid, ethyl ester |
Ester |
C6H12O2 |
105-54-4 |
| 5059 |
1,2-benzenedicarboxylic acid,bis(2-methyl propyl) ester |
Ester |
C16H22O4 |
84-69-5 |
| 5060 |
methyl-N-hydroxybenzenecarboximidoate |
Ester |
C8H9NO2 |
CID_9602988 |
| 5061 |
methyl-2,8-dimethylundecanoate |
Ester |
C14H28O2 |
55955-74-3 |
| 5062 |
ergost-5,8(14)-dien-3-ol |
Terpenoid |
C28H46O |
CID_22213470 |
| 5063 |
(22E)-ergosta-5,7,9(11),22-tetraen-3beta-ol |
Terpenoid |
C28H42O |
516-85-8 |
| 1070 |
Ergosterol |
Terpenoid |
C28H44O |
57-87-4 |
| 5064 |
D-xenialactol |
Terpenoid |
C20H30O4 |
88526-73-2 |
| 5065 |
2-methylpiperidine |
Heterocyclic |
C6H13N |
109-05-7 |
| 5066 |
propionaldehyde, ethylhydrazone |
Heterocyclic |
C5H12N2 |
7422-92-6 |
| 3004 |
Phenol |
Phenol |
C6H5OH |
108-95-2 |
| 5067 |
N-[3-methylaminopropyl]aziridine |
Heterocyclic |
C6H14N2 |
CID_547048 |
| 5068 |
3-pyridinecarboxylic acid |
Organic acid |
C6H5NO2 |
59-67-6 |
| 5069 |
pyrrolo[1,2-a]pyrazine-1,4-dione,hexahydro-3-(2-methylpropyl) |
Heterocyclic |
C11H18N2O2 |
2873-36-1 |
| 5070 |
2-ethoxycarbonyl-5-oxopyrrolidine |
Heterocyclic |
C7H11NO3 |
66183-71-9 |
| 5071 |
4-amino-2,6-dihydroxypyrimidine |
Heterocyclic |
C4H5N3O2 |
873-83-6 |
| 5072 |
1H-pyrazole,3-ethyl-4,5-dihydro |
Heterocyclic |
C5H10N2 |
5920-29-6 |
| 5073 |
5-methyloxazole |
Heterocyclic |
C4H5NO |
66333-88-8 |
| 5074 |
4,6-dimethoxy-3-phenylindole |
Indole |
C16H15NO2 |
105776-29-2 |
| 5075 |
1,3-propanediamine, N,N-dimethyl |
Amine |
C5H14N2 |
111-33-1 |
| 5076 |
oxo-1-(1-pyrrolidinyl)-6-octadecanone |
Ketone |
C22H43NO2 |
56666-42-3 |
| 5077 |
2,5-pyrrolidinedione |
Heterocyclic |
C4H5NO2 |
123-56-8 |
| 5078 |
2-amino-1-methyl-1H-imidazole-4,5-dione |
Heterocyclic |
C4H5N3O2 |
115012-08-3 |
| 5079 |
2(3H)-furanone, dihydro-3-hydroxy-4,4-dimethyl- |
Heterocyclic |
C6H10O3 |
79-50-5 |
| 5080 |
Nepenthone B |
- |
C17H10O10 |
75673-60-8 |
| 5081 |
3,5,5-trimethyl-2-hydroxy-1-cyclohexanone-2-ene |
Ketone |
C9H14O2 |
4883-60-7 |
| 5082 |
3-butyl-thiophene-1,1-dioxide |
Heterocyclic |
C8H12O2S |
CID_582903 |
| 5083 |
4-oxazolidinone,3-ethyl-2-thioxo |
Heterocyclic |
C5H7NO2S |
10574-66-0 |
| 5084 |
disulfide, di-tert-dodecyl |
Disulfide |
C24H50S2 |
27458-90-8 |
| 5085 |
2,5-di-tert-butylphenol |
Phenol |
C14H22O |
5875-45-6 |
| 5086 |
phenol,2,4-bis(1,1-dimethylethyl) |
Phenol |
C14H22O |
96-76-4 |
| 5087 |
3-Pentanol, 3-methyl- |
Alcohol |
C6H14O |
77-74-7 |
| 5088 |
Phenyl ethyl alcohol |
Alcohol |
C8H10O |
60-12-8 |
| 5089 |
Heptane, 3-methyl- |
Alkane |
C8H18 |
589-81-1 |
| 5090 |
Cyclopentanol, 1-methyl- |
Alcohol |
C6H12O |
1462-03-9 |
| 5091 |
Butyl acetate |
Ester |
C6H12O2 |
123-86-4 |
| 5092 |
Benzene, 1,3-dimethyl- |
Aromatic compound |
C8H10 |
108-38-3 |
| 5093 |
Mesitylene |
Aromatic compound |
C9H12 |
108-67-8 |
| 5094 |
3-Octanone |
Ketone |
C8H16O |
106-68-3 |
| 5095 |
1,4-Dichlorobenzene |
Aromatic compound |
C6H4Cl2 |
106-46-7 |
| 5096 |
2E-Tridecen-1-al |
Aldehyde |
C13H24O |
7069-41-2 |
| 5097 |
Cedrol |
Alcohol |
C15H26O |
77-53-2 |
| 22034 |
1-octen-3-ol |
Alcohol |
C8H16O |
3391-86-4 |
| 3029 |
Undecane |
Hydrocarbon |
C11H24 |
1120-21-4 |
| 5098 |
bis(2-methylpropyl) ester |
Ester |
C14H26O4 |
141-04-8 |
| 3036 |
Hexadecanoic acid, methyl ester |
Ester |
C17H34O2 |
112-39-0 |
| 5099 |
Methyl linoleate |
Fatty acid |
C19H34O2 |
112-63-0 |
| 5100 |
Ergothioneine |
Amino acid |
C9H15N3O2S |
497-30-3 |
| 22011 |
Ascorbic acid |
Vitamin |
C6H8O6 |
62624-30-0 |
| 5101 |
Thiamine |
Vitamin |
C12H17N4OS |
59-43-8 |
| 5102 |
Riboflavin |
Vitamin |
C17H20N4O6 |
83-88-5 |
| 5103 |
folic acid |
Vitamin |
C19H19N7O6 |
59-30-3 |
| 5104 |
Vitamin B12 |
Vitamin |
C63H88CoN14O |
68-19-9 |
| 5105 |
Vitamin D |
Vitamin |
C27H44O |
67-97-0 |
| 22055 |
hexanoic acid |
Organic acid |
C6H12O2 |
142-62-1 |
| 2040 |
n-decanoic acid |
Organic acid |
C10H20O2 |
334-48-5 |
| 5106 |
Myristoleic acid |
Fatty acid |
C14H26O2 |
544-64-9 |
| 5107 |
cis-10-Pentadecenoic acid |
Fatty acid |
C15H28O2 |
84743-29-3 |
| 22065 |
Palmitic acid |
Fatty acid |
C16H32O2 |
57-10-3 |
| 5108 |
Palmitoleic acid |
Fatty acid |
C16H30O2 |
373-49-9 |
| 5109 |
Heptadecanoic acid |
Fatty acid |
C17H34O2 |
506-12-7 |
| 22066 |
Stearic acid |
Fatty acid |
C18H36O2 |
57-11-4 |
| 22067 |
Oleic acid |
Fatty acid |
C18H34O2 |
112-80-1 |
| 22068 |
Linoleic acid |
Fatty acid |
C18H32O2 |
60-33-3 |
| 22069 |
alpha-Linolenic acid |
Fatty acid |
C18H30O2 |
463-40-1 |
| 5110 |
Arachidic acid |
Fatty acid |
C20H40O2 |
506-30-9 |
| 5111 |
cis-5,8,11,14,17-Eicosapentaenoic acid |
Fatty acid |
C20H30O2 |
10417-94-4 |
| 5112 |
cis-11,14-Eicosadienoic acid |
Fatty acid |
C20H36O2 |
5598-38-9 |
| 5113 |
cis-11,14,17-Eicosatrienoic
acid |
Fatty acid |
C20H34O2 |
17046-59-2 |
| 5114 |
Heneicosanoic acid |
Fatty acid |
C21H42O2 |
2363-71-5 |
| 5115 |
Behenic acid |
Fatty acid |
C22H44O2 |
112-85-6 |
| 5116 |
Erucic acid |
Fatty acid |
C22H42O2 |
112-86-7 |
| 5117 |
Tricosanoic acid |
Fatty acid |
C23H46O2 |
2433-96-7 |
| 5118 |
Lignoceric acid |
Fatty acid |
C24H48O2 |
557-59-5 |
| 22012 |
Oxalic acid |
Dicarboxylic acid |
C2H2O4 |
144-62-7 |
| 22014 |
Fumaric acid |
Dicarboxylic acid |
C4H4O4 |
110-17-8 |
| 22003 |
p-hydroxybenzoic acid |
Phenolic compound |
C7H6O3 |
99-96-7 |
| 22007 |
p-Coumaric acid |
Phenolic compound |
C9H8O3 |
7400-08-0 |
| 5119 |
Cinnamic acid |
Organic acid |
C9H8O2 |
140-10-3 |
