anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1=CC=C2C(=C1)C(=CN2)CCC(=O)O is an indol-3-yl carboxylic acid that is propionic acid substituted by a 1H-indol-3-yl group at position 3. It has a role as an auxin, a human metabolite and a plant metabolite. It derives from a propionic acid. It is a conjugate acid of a 3-(1H-indol-3-yl)propanoate.
The molecule CC1=C(C(C[C@@H](C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)[C@H](CC2(C)C)O)C)\\C)\\C)/C)/C is a carotenone that consists of beta,beta-carotene-4,4'-dione bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'S diastereomer). A carotenoid pigment found mainly in animals (crustaceans, echinoderms) but also occurring in plants. It can occur free (as a red pigment), as an ester, or as a blue, brown or green chromoprotein. It has a role as an anticoagulant, an antioxidant, a food colouring, a plant metabolite and an animal metabolite. It is a carotenone and a carotenol. It derives from a hydride of a beta-carotene.
The molecule C(=O)([O-])C(CC(=O)[O-])(CC(=O)[O-])[O-] C(=O)([O-])C(CC(=O)[O-])(CC(=O)[O-])[O-] is A citrate anion obtained by deprotonation of the three carboxy groups as well as the hydroxy group of citric acid. It is also related to or classified as citrate anion .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)NCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCC is an N-acylphosphatidylethanolamine in which the N-acyl group and the phosphatidyl acyl groups are specified as oleoyl (9Z-octadecenoyl). It is a N-acylphosphatidylethanolamine and a N-oleoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine. It derives from an oleic acid. It is a conjugate acid of a N,1,2-trioleoyl-sn-glycero-3-phosphoethanolamine(1-).
The molecule C1CC2COCC3=CN(CC[C@H](C(=O)N2C1)CC4=CC=CC=C4)N=N3 C1CC2COCC3=CN(CC[C@H](C(=O)N2C1)CC4=CC=CC=C4)N=N3 is LSM-37268. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCC/C=C/C=C/C1=C(C(=O)C2=C(O1)C(=C)N(C2=O)C)O is a member of the class of pyranopyrroles with formula C18H21NO4, originally isolated from Aspergillus niger. It has a role as an Aspergillus metabolite and a marine metabolite. It is a gamma-lactam, an enol, a pyranopyrrole and a cyclic ketone.
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)N)O)O)N is a purine ribonucleoside 5'-monophosphate that is AMP in which one of the phosphate OH groups substituted by a carbamoyl group It derives from an adenosine 5'-monophosphate. It is a conjugate acid of a carbamoyl adenylate(1-).
The molecule C[C@@H]1C2=C(C3=C(C=C(C=C3)O)OC2=O)O[C@]1(C)CC/C=C(\\C)/CC(=O)C=C(C)C is a furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-3(E)-7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it exhibits inhibitory effect on the production of nitric oxide (NO). It has a role as a metabolite and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a furanocoumarin, a ketone, a member of phenols and a sesquiterpenoid.
The molecule CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F.O is a racemate comprising equimolar amounts of (R)- and (S)-tosufloxacin tosylate hydrate. It has a role as an antimicrobial agent, an antiinfective agent, a DNA synthesis inhibitor, a hepatotoxic agent and a topoisomerase IV inhibitor. It contains a (S)-tosufloxacin tosylate hydrate, a (R)-tosufloxacin tosylate hydrate and a tosufloxacin tosylate.
The molecule [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(OC(=O)OCC)C(=O)OCCl [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(OC(=O)OCC)C(=O)OCCl is loteprednol etabonate. It has the role of anti-inflammatory drug . Its functional parent is loteprednol . It is also related to or classified as 11beta-hydroxy steroid  . It is also related to or classified as organochlorine compound  .   It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as steroid acid ester , etabonate ester , steroid ester .
The molecule O=C1C([C@]2([C@](CC1)(C3=C(CC2)C(=O)C(=CC3=O)C(C)C)C)[H])(C)C O=C1C([C@]2([C@](CC1)(C3=C(CC2)C(=O)C(=CC3=O)C(C)C)C)[H])(C)C is an abietane diterpenoid with formula C20H26O3, originally isolated from Tripterygium hypoglaucum. It has the role of plant metabolite . It is also related to or classified as p-quinones , cyclic terpene ketone , abietane diterpenoid , carbotricyclic compound , tricyclic diterpenoid .
The molecule CCC(CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)O)O is a hydroxydocosapentaenoic acid that is (4Z,7Z,10Z,13Z,16Z)-docosapentaenoic acid in which the hydroxy group is located at position 20. It has a role as a human xenobiotic metabolite. It derives from a (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid. It is a conjugate acid of a (4Z,7Z,10Z,13Z,16Z)-20-hydroxydocosapentaenoate.
The molecule COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O is a cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy. It has a role as an alpha-adrenergic antagonist, an antimalarial, an anti-arrhythmia drug, a sodium channel blocker, a muscarinic antagonist, a potassium channel blocker, a P450 inhibitor, an EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor, an EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor and a drug allergen. It derives from a hydride of a cinchonan.
The molecule [C@H]1(C[C@H]([NH3+])[C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)[NH3+])O)O)O[C@H]3O[C@@H]([C@H](C[C@H]3[NH3+])OP(OC[C@H]4O[C@@H](N5C=6N=CN=C(N)C6N=C5)[C@@H]([C@@H]4O)O)(=O)[O-])C[NH3+])[NH3+] [C@H]1(C[C@H]([NH3+])[C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)[NH3+])O)O)O[C@H]3O[C@@H]([C@H](C[C@H]3[NH3+])OP(OC[C@H]4O[C@@H](N5C=6N=CN=C(N)C6N=C5)[C@@H]([C@@H]4O)O)(=O)[O-])C[NH3+])[NH3+] is 4'-adenylyltobramycin(4+). Its functional parent is tobramycin(5+) . It is also related to or classified as ammonium ion derivative .
The molecule C(=O)(C1=CC(=C(C=C1)O)O)OCC C(=O)(C1=CC(=C(C=C1)O)O)OCC is an ethyl ester resulting from the formal condensation of the carboxy group of 3,4-dihydroxybenzoic acid with ethanol. It is the anti-oxidative component of peanut seed testa. It has the role of EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor . It has the role of antioxidant . It has the role of antibacterial agent . It has the role of apoptosis inducer . It has the role of plant metabolite . Its functional parent is 3,4-dihydroxybenzoic acid . It is also related to or classified as ethyl ester  . It is also related to or classified as catechols  .
The molecule O[C@@H](COP(O)(O)=O)[C@@H](O)C(O)=O O[C@@H](COP(O)(O)=O)[C@@H](O)C(O)=O is 4-phospho-L-threonic acid. Its functional parent is L-threonic acid . It is also related to or classified as 4-phosphothreonic acid .
The molecule C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)O)N is a tetrapeptide composed of L-aspartic acid, L-phenylalanine, L-aspartic acid and L-glutamine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-aspartic acid, a L-phenylalanine and a L-glutamine.
The molecule [3H]O[3H] [3H]O[3H] is ditritium oxide.  It is also related to or classified as water  . It is also related to or classified as tritiated compound .
The molecule CC1=CN(C(=O)NC1C2=C(C(=NC(=O)N2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O is an N-glycosyl compound that is a metabolite produced by the bacterium Mycoplasma genitalium. It has a role as a Mycoplasma genitalium metabolite. It is a N-glycosyl compound, an aminopyrimidine, a pyrimidone and a ring assembly.
The molecule CN1CC(=O)N=C1N.COC1=C(C=C2C(=C1)NC=C2CCN)O CN1CC(=O)N=C1N.COC1=C(C=C2C(=C1)NC=C2CCN)O is 3-(2-aminoethyl)-6-methoxy-1H-indol-5-ol 2-amino-3-methyl-4H-imidazol-5-one. Its functional parent is serotonin . It is also related to or classified as tryptamines .
The molecule C=1C=NC=C(C1I)N C=1C=NC=C(C1I)N is an aminopyridine that is 3-aminopyridine carrying an additional iodo substituent at postion 4. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as organoiodine compound  . It is also related to or classified as aminopyridine .
The molecule CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC is a dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm. It has a role as an antihypertensive agent, a calcium channel blocker, a vasodilator agent and a cardiovascular drug. It is a dihydropyridine, a C-nitro compound, a diester, a member of dicarboxylic acids and O-substituted derivatives, a 2-methoxyethyl ester and an isopropyl ester.
The molecule C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC=C4O)C=C3 is a hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 1 has been replaced by a hydroxy group. A metabolite of benzo[c]phenanthrene. It has a role as a xenobiotic metabolite.
The molecule O=C1[C@@]([C@]2([C@](CC1)(C3=C(CC2)C(=O)C(=CC3=O)C(C)C)C)[H])(CO)C O=C1[C@@]([C@]2([C@](CC1)(C3=C(CC2)C(=O)C(=CC3=O)C(C)C)C)[H])(CO)C is an abietane diterpenoid with formula C20H26O4, originally isolated from Tripterygium wilfordii. It has the role of plant metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as p-quinones , cyclic terpene ketone , abietane diterpenoid , carbotricyclic compound , tricyclic diterpenoid .
The molecule C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C is a cholanic acid anion that is the conjugate base of 3alpha,7beta-dihydroxy-12-oxo-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 3alpha,7beta-dihydroxy-12-oxo-5beta-cholanic acid.
The molecule C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)[C@H](CO)N)O is a dipeptide formed from L-serine and L-tyrosine residues. It has a role as a metabolite. It is a dipeptide, a member of phenols, a primary alcohol and a secondary carboxamide. It derives from a L-serine and a L-tyrosine.
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O is a glycosyl glycoside prepared from alpha-D-glucopyranosyl and beta-D-fructofuranose residues. It has a role as a sweetening agent and a bacterial metabolite.
The molecule CCCC(=O)C([O-])=O CCCC(=O)C([O-])=O is A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxopentanoic acid, obtained by deprotonation of the carboxy group. Its functional parent is valerate . It is also related to or classified as oxopentanoates  . It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule C/C=C/C1=CC2=C(C(=C1)OC)O[C@H]([C@@H]2C)C3=CC(=C(C=C3)OC)OC is a neolignan that is 5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran carrying additional 3,4-dimethoxyphenyl, methyl and methoxy substituents at positions 2, 3 and 7 respectively. It has a role as a plant metabolite and a fungal metabolite. It is a member of 1-benzofurans, a dimethoxybenzene, a ring assembly, an olefinic compound and a neolignan.
The molecule CN1C=NC2=C(C1=O)NC=N2 is a methylhypoxanthine that is hypoxanthine with the methyl group at position 1. It has a role as a human urinary metabolite and a rat metabolite.
The molecule CC1=CC(=CC2=C1C=CC(=C2C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)OP(=O)([O-])[O-])O)O)OC is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA; major species at pH 7.3. It is a conjugate base of a 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA.
The molecule C1COCCOCCOCCO1 C1COCCOCCOCCO1 is A crown ether that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 have been replaced by oxygen atoms. It is also related to or classified as saturated organic heteromonocyclic parent , crown ether .
The molecule C(=C\\C(=O)O)\\C(=C(/C(=O)O)\\Cl)\\Cl is a 2,3-dichloromuconic acid in which both double bonds have Z geochemistry. It has a role as a bacterial metabolite. It is a conjugate acid of a (2Z,4Z)-2,3-dichloromuconate(2-).
The molecule CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3 is a bisbenzylisoquinoline alkaloid from tubers of Stephania; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation. It is a member of isoquinolines and a bisbenzylisoquinoline alkaloid.
The molecule O1C(CC(=O)C=2C1=CC(OC)=C(OC)C2O)C=3C(OC)=CC=CC3O O1C(CC(=O)C=2C1=CC(OC)=C(OC)C2O)C=3C(OC)=CC=CC3O is 5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])C[C@@H]3O)[C@H](C)CCC(=C)[C@H](C)C(O)=O [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])C[C@@H]3O)[C@H](C)CCC(=C)[C@H](C)C(O)=O is antcin C. It has the role of metabolite . It is also related to or classified as bile acid .
The molecule C1=C(C=C(C2=NC(=O)C(=C21)NNC(=S)N)Br)Br C1=C(C=C(C2=NC(=O)C(=C21)NNC(=S)N)Br)Br is [(5,7-dibromo-2-oxo-3-indolyl)amino]thiourea. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O is A 1,3-thiazine that is 1,3-thiazinan-4-one S,S-dioxide in which a hydrogen at position 2 is substituted by a 4-chlorophenyl group and the hydrogen attached to the nitrogen is substituted by methyl. A non-benzodiazepine muscle relaxant, it was used in the management of anxiety and in the treatment of muscle spasms until being discontinued worldwide by its manufacturer in 1996, due to rare but serious cutaneous reactions. It has the role of anxiolytic drug . It has the role of antipsychotic agent . It has the role of muscle relaxant . It is also related to or classified as lactam  . It is also related to or classified as sulfone  . It is also related to or classified as 1,3-thiazine , monochlorobenzenes .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCN)OC(=O)CCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCC is an organophosphate oxoanion resulting from deprotonation of the two phosphate OH groups of 12-aminolauroyl tripalmitoyl cardiolipin. It is a conjugate base of a 12-aminolauroyl tripalmitoyl cardiolipin.
The molecule O1C(CC(=O)C=2C1=C(OC)C(OC)=C(O)C2O)C3=CC=C(OC)C=C3 O1C(CC(=O)C=2C1=C(OC)C(OC)=C(O)C2O)C3=CC=C(OC)C=C3 is 5,6-Dihydroxy-7,8,4'-trimethoxyflavanone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)[C@H](C)C(O)=O [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)[C@H](C)C(O)=O is antcin A. It has the role of metabolite . It is also related to or classified as ergostanoid .
The molecule CCCCC\C=C/C[C@H](O)[C@H](O)\C=C\C(O)C\C=C/CCCC([O-])=O CCCCC\C=C/C[C@H](O)[C@H](O)\C=C\C(O)C\C=C/CCCC([O-])=O is the trioxilin anion that is the anion formed from trioxilin A3 by deprotonation of its carboxylic acid moiety; major microspecies present at pH 7.3. It is also related to or classified as trioxilin anion .
The molecule O=C(O)C1OC(OC2C(OC(OC3C(O)C(OC(OCCCN)C3NC(=O)C)C)C(NC(=N)C)C2OC(=O)C)C)C(NC(=O)C)C(NC(=O)CC(O)C)C1O O=C(O)C1OC(OC2C(OC(OC3C(O)C(OC(OCCCN)C3NC(=O)C)C)C(NC(=N)C)C2OC(=O)C)C)C(NC(=O)C)C(NC(=O)CC(O)C)C1O is an amino trisaccharide that consists of 2-acetamido-2,3-dideoxy-3-{[(3R)-3-hydroxybutanoyl]amino}-beta-D-glucopyranuronic acid, 3-O-acetyl-2,6-dideoxy-2-(ethanimidoylamino)-alpha-L-galactopyranose, and 3-aminopropyl 2-acetamido-2,6-dideoxy-alpha-D-glucopyranoside residues linked sequentially (1->4) and (1->3). It is a derivative of the trisaccharide repeating unit of Pseudomonas aeruginosa serotype O51 O-antigen that contains an amino propyl linker at the reducing end. It is also related to or classified as amino trisaccharide .
The molecule CCCCNC(=O)[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)O)NC(=O)[C@@H](C2=CC=CC=C2)N is an amide formed between ampicillin and butylamine. It is a monocarboxylic acid amide and a thiazolidinemonocarboxylic acid. It contains an ampicilloyl group. It derives from an ampicillin.
The molecule O1C(CC(=O)C2=C1C(OC)=C(OC)C=C2O)C3=CC(O)=C(OC)C=C3 O1C(CC(=O)C2=C1C(OC)=C(OC)C=C2O)C3=CC(O)=C(OC)C=C3 is 5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule COC(=O)C(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O COC(=O)C(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O is an  ergostanoid that is the methyl ester of zhankuic acid A. It has been isolated from the fruiting bodies of  Taiwanofungus camphoratus. It has the role of plant metabolite . Its functional parent is zhankuic acid A . It is also related to or classified as 11-oxo steroid  . It is also related to or classified as 3-oxo steroid  . It is also related to or classified as 7-oxo steroid  . It is also related to or classified as steroid ester , ergostanoid .
The molecule C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-chloro-3-nitrobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule O=C(O)C1OC(OC2C(OC(OC3C(O)C(OC(OCCCN)C3NC(=O)C)C)C(NC(=O)C)C2OC(=O)C)C)C(NC(=O)C)C(NC(=O)CC(O)C)C1O O=C(O)C1OC(OC2C(OC(OC3C(O)C(OC(OCCCN)C3NC(=O)C)C)C(NC(=O)C)C2OC(=O)C)C)C(NC(=O)C)C(NC(=O)CC(O)C)C1O is an amino trisaccharide that consists of 2-acetamido-2,3-dideoxy-3-{[(3R)-3-hydroxybutanoyl]amino}-beta-D-glucopyranuronic acid, 2-acetamido-3-O-acetyl-2,6-dideoxy-alpha-L-galactopyranose, and 3-aminopropyl 2-acetamido-2,6-dideoxy-alpha-D-glucopyranoside residues linked sequentially (1->4) and (1->3). It is a derivative of the trisaccharide repeating unit of Pseudomonas aeruginosa serotype O51 O-antigen that contains an amino propyl linker at the reducing end and and an acetamido group instead of the acetimidamido group. It is also related to or classified as amino trisaccharide .
The molecule C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC(C(F)F)(F)F)Cl)F is an N-acylurea that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 2,6-difluorobenzoyl group, while a hycrogen attached to the other nitorgen is replaced by a 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl group. It is a benzoylurea insecticide, an organofluorine insecticide, an organochlorine insecticide, a dichlorobenzene, a N-acylurea and an aromatic ether.
The molecule C(CCCCC)(=O)C1=C(C(=C(C=C1O)[O-])Cl)O C(CCCCC)(=O)C1=C(C(=C(C=C1O)[O-])Cl)O is A phenolate anion resulting from the removal of a proton from the phenolic hydroxy group of (3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one that is para to the hexanoyl group. It is the major species at pH 7.3. It is also related to or classified as phenolate anion .
The molecule O1C(CC(=O)C2=C1C(OC)=C(OC)C=C2O)C=3C(OC)=CC=CC3O O1C(CC(=O)C2=C1C(OC)=C(OC)C=C2O)C=3C(OC)=CC=CC3O is 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H][C@@]1(CC[C@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)C(C)C(=O)OC [H][C@@]1(CC[C@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)C(C)C(=O)OC is Camphoratin J. It has the role of metabolite . It is also related to or classified as ergostanoid .
The molecule C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)C1 C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)C1 is 4-chlorobenzenesulfonic acid [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] ester. It is also related to or classified as benzenesulfonate ester  .
The molecule OC(=O)c1cccc(n1)C([O-])=O OC(=O)c1cccc(n1)C([O-])=O is A carboxypyridinecarboxylate that is the conjugate base of dipicolinic acid. It is a conjugate acid of dipicolinate(2-) . It is also related to or classified as carboxypyridinecarboxylate  .
The molecule CC(O)(CO)C(O)=O CC(O)(CO)C(O)=O is 2,3-dihydroxy-2-methylpropanoic acid. Its functional parent is propionic acid . It is a conjugate acid of 2,3-dihydroxy-2-methylpropanoate . It is also related to or classified as dihydroxy monocarboxylic acid .
The molecule [H]C(=O)c1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C(O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(C)c4C=C)c(C)c3CCC(O)=O [H]C(=O)c1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C(O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(C)c4C=C)c(C)c3CCC(O)=O is A cyclic tetrapyrrole that consists of porphyrin bearing several substituents including methyl, vinyl, formyl, hydroxy and hydroxyalkatrienyl. The parent of the class of cytoporphyrins. It is a conjugate acid of cytoporphyrinate . It is also related to or classified as cytoporphyrins .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@@H](CO)O)O)O)O)O is a disaccharide that is D-mannitol in which the hydroxy group at position 3 has been converted into the corresponding alpha-L-fucoside. It is an O-acyl carbohydrate and an alpha-L-fucoside. It derives from a D-mannitol.
The molecule O1C(CC(=O)C=2C1=CC(OC)=C(O)C2OC)C3=CC(OC)=C(O)C=C3 O1C(CC(=O)C=2C1=CC(OC)=C(O)C2OC)C3=CC(OC)=C(O)C=C3 is Agestricin D. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)\C=C\[C@H](C)[C@H](C)CO)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2 [H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)\C=C\[C@H](C)[C@H](C)CO)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2 is Camphoratin I. It has the role of metabolite . It is also related to or classified as ergostanoid .
The molecule CC(C([O-])=O)c1cccc(Oc2ccccc2)c1 CC(C([O-])=O)c1cccc(Oc2ccccc2)c1 is the conjugate base of fenoprofen. It is also related to or classified as monocarboxylic acid anion  .
The molecule C/C=C(\\C)/C(=O)O[C@H]1[C@@]2(C[C@@]3([C@]1([C@H](C4=C5[C@H](C(=O)O[C@H]([C@@]5(CC[C@@H]4[C@@]3([C@H]2CC(=O)OC)C)C)C6=COC=C6)O)OC(=O)C(C)C)O)O)C is a limonoid with a phragmalin skeleton isolated from the leaves of Trichilia connaroides. It has a role as a plant metabolite. It is a delta-lactone, a bridged compound, a member of furans, a limonoid, an organic heteropentacyclic compound, a methyl ester and an enoate ester. It derives from a tiglic acid and an isobutyric acid.
The molecule O1C(CC(=O)C=2C1=CC(OC)=C(OC)C2O)C3=CC(O)=C(OC)C=C3 O1C(CC(=O)C=2C1=CC(OC)=C(OC)C2O)C3=CC(O)=C(OC)C=C3 is 5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C1COCCN1C2=NC(=C(S2)C=NNC(=O)C3=CC=CC=C3Cl)C4=CC=CC=C4 C1COCCN1C2=NC(=C(S2)C=NNC(=O)C3=CC=CC=C3Cl)C4=CC=CC=C4 is 2-chloro-N-[[2-(4-morpholinyl)-4-phenyl-5-thiazolyl]methylideneamino]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .