Compound classification

Compounds (id:4826)
- Chemical entities (id:4825)
  - Inorganic compounds (id:2)
    - Homogeneous metal compounds (id:423)
      - Homogeneous alkali metal compounds (id:426)
      - Homogeneous transition metal compounds (id:427)
    - Homogeneous non-metal compounds (id:424)
      - Homogeneous halogens (id:433)
      - Homogeneous other non-metal compounds (id:435)
      - Other non-metal organides (id:454)
        Other non-metal nitrides (id:554)
  - Organic compounds (id:1)
    - Alkaloids and derivatives (id:280)
    - Benzenoids (id:2448)
      - Benzene and substituted derivatives (id:2279)
        Anilides (id:286)
        Acetanilides (id:1846)
        Benzoic acids and derivatives (id:177)
        Acylaminobenzoic acid and derivatives (id:4354)
        Aminobenzoic acids and derivatives (id:282)
        Aminobenzoic acids (id:2947)
        Benzamides (id:179)
        Hippuric acids and derivatives (id:180)
        Hippuric acids (id:1318)
        Benzoic acid esters (id:1350)
        p-Hydroxybenzoic acid esters (id:4694)
        p-Hydroxybenzoic acid alkyl esters (id:4695)
        Benzoic acids (id:2565)
        Hydroxybenzoic acid derivatives (id:1249)
        Gallic acid and derivatives (id:1252)
        Gallic acids (id:3532)
        Galloyl esters (id:3533)
        Salicylic acid and derivatives (id:488)
        Salicylic acids (id:2514)
        Methoxybenzoic acids and derivatives (id:2344)
        M-methoxybenzoic acids and derivatives (id:2347)
        Benzophenones (id:121)
        Biphenyls and derivatives (id:42)
        Brominated biphenyls (id:53)
        Polybrominated biphenyls (id:3947)
        Chlorinated biphenyls (id:501)
        Polychlorinated biphenyls (id:3029)
        Diphenylethers (id:4148)
        Bromodiphenyl ethers (id:1845)
        Diphenylmethanes (id:370)
        Bisphenols (id:144)
        Halobenzenes (id:36)
        Chlorobenzenes (id:1100)
        Dichlorobenzenes (id:2564)
        Phenethylamines (id:187)
        Phenylacetic acids (id:419)
        2(hydroxyphenyl)acetic acids (id:4637)
        Phenylhydrazines (id:114)
        Phenylpyruvic acid derivatives (id:1277)
        Toluenes (id:1092)
      - Fluorenes (id:21)
      - Naphthalenes (id:24)
        Naphthols and derivatives (id:2441)
      - Phenanthrenes and derivatives (id:26)
        Chrysenes (id:1143)
        Phenanthrols (id:3006)
      - Phenol esters (id:2319)
      - Phenol ethers (id:2341)
        Anisoles (id:139)
      - Phenols (id:135)
        1-hydroxy-2-unsubstituted benzenoids (id:4639)
        1-hydroxy-4-unsubstituted benzenoids (id:4640)
        Benzenediols (id:1287)
        Catechols (id:136)
        Catecholamines and derivatives (id:183)
        Hydroquinones (id:137)
        Resorcinols (id:138)
        Benzenetriols and derivatives (id:1310)
        Phloroglucinols and derivatives (id:383)
        Pyrogallols and derivatives (id:398)
        5-unsubstituted pyrrogallols (id:4650)
        Cresols (id:1273)
        Meta cresols (id:1274)
        Para cresols (id:1276)
        Halophenols (id:2320)
        Bromophenols (id:2763)
        P-bromophenols (id:2768)
        Chlorophenols (id:2765)
        P-chlorophenols (id:2771)
        Methoxyphenols (id:191)
        Tyrosols and derivatives (id:140)
        Tyrosols (id:3692)
      - Pyrenes (id:1851)
        Benzopyrenes (id:317)
    - Lignans, neolignans and related compounds (id:1392)
      - Dibenzylbutane lignans (id:1969)
        Dibenzylbutanediol lignans (id:1624)
      - Furanoid lignans (id:3680)
        Tetrahydrofuran lignans (id:1604)
        7,9'-epoxylignans (id:3416)
        9,9'-epoxylignans (id:3418)
        Dibenzylbutyrolactone lignans (id:1613)
    - Lipids and lipid-like molecules (id:13)
      - Fatty Acyls (id:3903)
        Eicosanoids (id:514)
        Prostaglandins and related compounds (id:515)
        Fatty acid esters (id:325)
        Acyl carnitines (id:1096)
        Wax esters (id:1723)
        Wax monoesters (id:3317)
        Fatty acids and conjugates (id:263)
        Branched fatty acids (id:339)
        Methyl-branched fatty acids (id:3538)
        Heterocyclic fatty acids (id:1989)
        Furanoid fatty acids (id:1528)
        Hydroxy fatty acids (id:342)
        Long-chain fatty acids (id:2948)
        Medium-chain fatty acids (id:3083)
        Straight chain fatty acids (id:334)
        Sulfated fatty acids (id:1425)
        Thia fatty acids (id:1423)
        Very long-chain fatty acids (id:2949)
        Fatty alcohols (id:1334)
        Long-chain fatty alcohols (id:2950)
        Lineolic acids and derivatives (id:505)
      - Glycerolipids (id:176)
        Diradylglycerols (id:3803)
        Diacylglycerols (id:1130)
        1,2-diacylglycerols (id:1644)
        Monoradylglycerols (id:3802)
        Monoacylglycerols (id:1134)
        1-monoacylglycerols (id:1597)
        Triradylcglycerols (id:3809)
        Triacylglycerols (id:1136)
      - Glycerophospholipids (id:257)
        Glycerophosphates (id:2214)
        Glycerophosphocholines (id:2213)
        Lysophosphatidylcholines (id:1413)
        1-acyl-sn-glycero-3-phosphocholines (id:1638)
        Phosphatidylcholines (id:1408)
      - Prenol lipids (id:260)
        Diterpenoids (id:1551)
        Acyclic diterpenoids (id:1357)
        Kaurane diterpenoids (id:3776)
        Monoterpenoids (id:1549)
        Bicyclic monoterpenoids (id:1564)
        Menthane monoterpenoids (id:1401)
        Quinone and hydroquinone lipids (id:1534)
        Prenylquinones (id:2801)
        Ubiquinones (id:1545)
        Vitamin E compounds (id:1546)
        Tocopherols (id:202)
        Vitamin K compounds (id:1547)
        Retinoids (id:1606)
        Sesquiterpenoids (id:1550)
        Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids (id:3649)
        Sesterterpenoids (id:1552)
        Tetraterpenoids (id:1554)
        Carotenoids (id:1278)
        Carotenes (id:1411)
        Xanthophylls (id:1410)
      - Sphingolipids (id:258)
        Ceramides (id:1418)
        Phosphosphingolipids (id:3386)
        Sphingomyelins (id:1132)
      - Steroids and steroid derivatives (id:259)
        Bile acids, alcohols and derivatives (id:1445)
        Glycinated bile acids and derivatives (id:1125)
        Hydroxy bile acids, alcohols and derivatives (id:2194)
        Dihydroxy bile acids, alcohols and derivatives (id:517)
        Monohydroxy bile acids, alcohols and derivatives (id:261)
        Trihydroxy bile acids, alcohols and derivatives (id:1105)
        Taurinated bile acids and derivatives (id:1160)
        Cholestane steroids (id:3560)
        Cholesterols and derivatives (id:1469)
        Ergostane steroids (id:3561)
        Ergosterols and derivatives (id:1403)
        Estrane steroids (id:1466)
        Estrogens and derivatives (id:3564)
        Hydroxysteroids (id:1296)
        21-hydroxysteroids (id:3092)
        Stigmastanes and derivatives (id:2031)
        Sulfated steroids (id:1692)
        Vitamin D and derivatives (id:1460)
    - Nucleosides, nucleotides, and analogues (id:290)
      - Flavin nucleotides (id:1329)
      - Purine nucleosides (id:480)
      - Purine nucleotides (id:1506)
        Purine deoxyribonucleotides (id:2134)
        Purine deoxyribonucleoside monophosphates (id:2135)
        Purine 2'-deoxyribonucleoside monophosphates (id:2141)
        Purine ribonucleotides (id:1544)
        Purine ribonucleoside monophosphates (id:1617)
      - Pyrimidine nucleosides (id:481)
        Pyrimidine 2'-deoxyribonucleosides (id:2180)
      - Pyrimidine nucleotides (id:1509)
        Pyrimidine deoxyribonucleotides (id:2148)
        Pyrimidine deoxyribonucleoside monophosphates (id:2151)
        Pyrimidine 2'-deoxyribonucleoside monophosphates (id:2158)
        Pyrimidine ribonucleotides (id:2147)
        Pyrimidine ribonucleoside monophosphates (id:1620)
    - Organic acids and derivatives (id:265)
      - Carboximidic acids and derivatives (id:2285)
        Carboximidic acids (id:2484)
      - Carboxylic acids and derivatives (id:266)
        Alpha-halocarboxylic acids and derivatives (id:1548)
        Alpha-halocarboxylic acids (id:2999)
        Amino acids, peptides, and analogues (id:14)
        Amino acids and derivatives (id:348)
        Alpha amino acids and derivatives (id:61)
        Alanine and derivatives (id:4307)
        Alpha amino acids (id:2404)
        L-alpha-amino acids (id:4139)
        Arginine and derivatives (id:4313)
        Asparagine and derivatives (id:4305)
        Aspartic acid and derivatives (id:4310)
        Cysteine and derivatives (id:4306)
        L-cysteine-S-conjugates (id:4548)
        Glutamic acid and derivatives (id:4316)
        Glutamine and derivatives (id:4308)
        Histidine and derivatives (id:4304)
        Isoleucine and derivatives (id:4323)
        Leucine and derivatives (id:4322)
        Methionine and derivatives (id:4136)
        N-acyl-alpha amino acids and derivatives (id:1190)
        N-acyl-alpha amino acids (id:2402)
        N-acyl-L-alpha-amino acids (id:4141)
        Phenylalanine and derivatives (id:4314)
        Proline and derivatives (id:4315)
        Serine and derivatives (id:4309)
        Tyrosine and derivatives (id:4312)
        Valine and derivatives (id:4303)
        Beta amino acids and derivatives (id:1878)
        Delta amino acids and derivatives (id:1879)
        Gamma amino acids and derivatives (id:1880)
        Peptides (id:349)
        Dipeptides (id:4823)
        Carboxylic acid derivatives (id:1094)
        Carboxylic acid amides (id:476)
        Acetamides (id:3916)
        N-acetyl-2-arylethylamines (id:4245)
        Carboxylic acids (id:1206)
        Dicarboxylic acids and derivatives (id:347)
        Tricarboxylic acids and derivatives (id:1986)
      - Dithiocarbamic acids and derivatives (id:3927)
      - Hydroxy acids and derivatives (id:473)
        Alpha hydroxy acids and derivatives (id:1359)
        Beta hydroxy acids and derivatives (id:1713)
        Medium-chain hydroxy acids and derivatives (id:300)
        Short-chain hydroxy acids and derivatives (id:267)
      - Keto acids and derivatives (id:390)
        Gamma-keto acids and derivatives (id:1116)
        Short-chain keto acids and derivatives (id:1416)
      - Organic carbonic acids and derivatives (id:365)
        Ureas (id:518)
      - Organic phosphonic acids and derivatives (id:420)
        Organic phosphonic acids (id:1303)
      - Organic phosphoric acids and derivatives (id:403)
        Phosphate esters (id:409)
        Alkyl phosphates (id:3451)
        Dialkyl phosphates (id:3453)
        Aryl phosphates (id:4609)
        Aryl phosphodiesters (id:4611)
      - Organic sulfonic acids and derivatives (id:4427)
        Organosulfonic acids and derivatives (id:271)
        Organosulfonic acids (id:1180)
      - Organic sulfuric acids and derivatives (id:404)
        Arylsulfates (id:4251)
        Phenylsulfates (id:2625)
      - Organic thiophosphoric acids and derivatives (id:1304)
        Thiophosphoric acid esters (id:1572)
        Aryl thiophosphates (id:4616)
      - Peptidomimetics (id:1813)
        Hybrid peptides (id:2010)
    - Organic nitrogen compounds (id:4700)
      - Organonitrogen compounds (id:279)
        Amines (id:2449)
        Alkanolamines (id:2460)
        1,2-aminoalcohols (id:1897)
        N-acylethanolamines (id:1146)
        Primary amines (id:2450)
        2-arylethylamines (id:4246)
        Monoalkylamines (id:470)
        Secondary amines (id:2451)
        Dialkylamines (id:2228)
        Tertiary amines (id:2452)
        Trialkylamines (id:2239)
        Aminoxides (id:3986)
        Trialkyl amine oxides (id:4177)
        Guanidines (id:376)
        N-arylamides (id:3279)
        N-acetylarylamines (id:4499)
        Quaternary ammonium salts (id:504)
        Carnitines (id:1609)
        Cholines (id:1013)
        Tetraalkylammonium salts (id:4218)
    - Organic oxygen compounds (id:4596)
      - Organooxygen compounds (id:324)
        Alcohols and polyols (id:130)
        Cyclic alcohols and derivatives (id:1293)
        Cyclitols and derivatives (id:2509)
        Quinic acids and derivatives (id:2512)
        Primary alcohols (id:287)
        Secondary alcohols (id:1661)
        Cyclohexanols (id:2646)
        Carbohydrates and carbohydrate conjugates (id:12)
        Aminosaccharides (id:3302)
        Amino sugars (id:1149)
        Acylaminosugars (id:147)
        Glycosyl compounds (id:2105)
        C-glycosyl compounds (id:2204)
        O-glycosyl compounds (id:2207)
        Phenolic glycosides (id:4158)
        Monosaccharides (id:1540)
        Hexoses (id:1498)
        Hexose phosphates (id:2260)
        Monosaccharide phosphates (id:1541)
        Pentoses (id:1497)
        Pentose phosphates (id:2259)
        Sugar acids and derivatives (id:216)
        Glucuronic acid derivatives (id:2094)
        Glucuronides (id:375)
        O-glucuronides (id:2812)
        Sugar amino acids and derivatives (id:1366)
        Pyranoid amino acids and derivatives (id:1697)
        Neuraminic acids and derivatives (id:1259)
        N-acylneuraminic acids and derivatives (id:3046)
        N-acylneuraminic acids (id:3045)
        Sugar alcohols (id:2210)
        Carbonyl compounds (id:1831)
        Aldehydes (id:125)
        Alpha-hydrogen aldehydes (id:2434)
        Aryl-aldehydes (id:3210)
        Benzaldehydes (id:1345)
        Hydroxybenzaldehydes (id:3971)
        Ketones (id:119)
        Aryl ketones (id:3664)
        Phenylketones (id:4289)
        Alkyl-phenylketones (id:4291)
    - Organohalogen compounds (id:268)
      - Alkyl halides (id:2866)
        Cyclohexyl halides (id:4478)
        Halomethanes (id:4150)
        Trihalomethanes (id:4153)
      - Organobromides (id:1515)
      - Organochlorides (id:1516)
      - Vinyl halides (id:2867)
        Vinyl chlorides (id:2862)
    - Organoheterocyclic compounds (id:3)
      - Azoles (id:437)
        Imidazoles (id:79)
        Substituted imidazoles (id:2310)
        Imidazolyl carboxylic acids and derivatives (id:1228)
      - Azolidines (id:2491)
        Oxatriazolidines (id:1932)
      - Benzodioxins (id:2100)
        Benzo-p-dioxins (id:1379)
        Dibenzo-p-dioxins (id:1381)
        Chlorinated dibenzo-p-dioxins (id:421)
      - Benzofurans (id:302)
        Dibenzofurans (id:16)
        Chlorinated dibenzofurans (id:1378)
        Polychlorinated dibenzofurans (id:3028)
      - Benzoxazines (id:1396)
        Benzoxazinones (id:1437)
      - Biotin and derivatives (id:245)
      - Diazanaphthalenes (id:4781)
        Benzodiazines (id:4782)
        Quinoxalines (id:487)
      - Diazines (id:1346)
        Pyrimidines and pyrimidine derivatives (id:76)
        Hydroxypyrimidines (id:4154)
        Pyrimidinecarboxylic acids and derivatives (id:1319)
        Pyrimidinecarboxylic acids (id:2415)
        Pyrimidones (id:292)
        Thiamines (id:1286)
      - Dihydrofurans (id:1983)
        Furanones (id:1982)
        Butenolides (id:2223)
      - Dioxanes (id:369)
      - Epoxides (id:160)
        Oxirane carboxylic acids and derivatives (id:1864)
      - Imidazopyrimidines (id:1797)
        Purines and purine derivatives (id:246)
        6-aminopurines (id:2986)
        Purinones (id:598)
        Hypoxanthines (id:247)
        Xanthines (id:248)
      - Indoles and derivatives (id:212)
        Hydroxyindoles (id:4155)
        Indolecarboxylic acids and derivatives (id:2013)
        Indoles (id:2497)
        3-alkylindoles (id:4189)
        3-methylindoles (id:4522)
        Indolines (id:1147)
        Indolyl carboxylic acids and derivatives (id:1291)
        Indole-3-acetic acid derivatives (id:1253)
        Pyridoindoles (id:1214)
        Alpha carbolines (id:1913)
        Beta carbolines (id:1914)
        Tryptamines and derivatives (id:184)
        Serotonins (id:1637)
      - Lactones (id:51)
        Gamma butyrolactones (id:1246)
      - Oxanes (id:2012)
      - Piperidines (id:196)
      - Pteridines and derivatives (id:110)
        Alloxazines and isoalloxazines (id:385)
        Flavins (id:1250)
        Pterins and derivatives (id:111)
      - Pyridines and derivatives (id:90)
        Halopyridines (id:3963)
        Polyhalopyridines (id:3964)
        Phenylpyridines (id:2317)
        Pyridine carboxaldehydes (id:2212)
        Pyridoxals and derivatives (id:29)
        Pyridinecarboxylic acids and derivatives (id:1322)
        Pyridinecarboxamides (id:1326)
        Nicotinamides (id:2253)
        Pyridinecarboxylic acids (id:2414)
        Pyridoxamines (id:1966)
        Pyridoxamine 5'-phosphates (id:4252)
        Pyridoxines (id:1948)
        Pyridoxine-5'-phosphates (id:2752)
        Pyrrolidinylpyridines (id:1975)
      - Pyrrolidines (id:219)
      - Quinolines and derivatives (id:1254)
        Pyrroloquinolines (id:1734)
        Pyrroloquinoline quinones (id:6)
        Quinoline carboxylic acids (id:2552)
      - Tetrapyrroles and derivatives (id:1455)
        Bilirubins (id:1593)
        Corrinoids (id:354)
        Cobalamin derivatives (id:353)
    - Organometallic compounds (id:463)
      - Metal alkyls (id:4429)
        Transition metal alkyls (id:4436)
    - Organosulfur compounds (id:5)
      - Isothiocyanates (id:1235)
      - Sulfonyls (id:1158)
        Sulfones (id:506)
    - Phenylpropanoids and polyketides (id:262)
      - Alpha-methyldeoxybenzoin flavonoids (id:2612)
      - Cinnamic acids and derivatives (id:477)
        Cinnamic acids (id:2504)
        Hydroxycinnamic acids and derivatives (id:1391)
        Coumaric acids and derivatives (id:60)
        Hydroxycinnamic acid esters (id:3001)
        Hydroxycinnamic acid glycosides (id:3002)
        Coumaroyl glycosides (id:2681)
        M-coumaroyl glycosides (id:2682)
        Hydroxycinnamic acids (id:2503)
      - Coumarins and derivatives (id:146)
        Furanocoumarins (id:359)
        Angular furanocoumarins (id:2568)
        Aflatoxins (id:150)
      - Flavonoids (id:335)
        Flavans (id:338)
        Flavan-3-ols (id:3011)
        Catechins (id:1584)
        Catechin gallates (id:1587)
        Epigallocatechins (id:1594)
        Flavanones (id:1632)
        Flavones (id:1615)
        Flavonols (id:1137)
        Flavonoid glycosides (id:1112)
        Flavonoid C-glycosides (id:1737)
        Flavonoid 8-C-glycosides (id:3529)
        Flavonoid O-glycosides (id:1583)
        Flavonoid O-glucuronides (id:2933)
        Flavonoid-7-O-glucuronides (id:3528)
        Flavonoid-3-O-glycosides (id:3525)
        O-methylated flavonoids (id:2585)
        4'-O-methylated flavonoids (id:2596)
      - Isoflavonoids (id:2506)
        Coumestans (id:355)
        Isoflav-2-enes (id:2900)
        Isoflavones (id:495)
        Isoflavans (id:1612)
        Isoflavanols (id:1828)
        Isoflavanones (id:1827)
        O-methylated isoflavonoids (id:2586)
        4'-O-methylated isoflavonoids (id:2606)
        4'-O-methylisoflavones (id:2686)
      - Linear 1,3-diarylpropanoids (id:3461)
        Chalcones and dihydrochalcones (id:1630)
        2'-Hydroxy-dihydrochalcones (id:3467)
        Cinnamylphenols (id:3490)
      - Phenylpropanoic acids (id:2551)
      - Stilbenes (id:254)
        Stilbene glycosides (id:143)
      - Tannins (id:239)
        Hydrolyzable tannins (id:1710)

ID	ID	Classification name	No. of Biomarkers	No. of Microbial metabolites	No. of Dietary compounds