mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O)CC(O)(O[C@@H]4[C@H](O)CO)C(O)=O)[C@@H](O)[C@H]3O[C@H]3O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)CO)[C@H](O)[C@H]2O)[C@@H]1O</smiles> is A branched amino heptasaccharide consisting of a linear pentasaccharide chain of N-acetyl-beta-D-glucosamine, beta-D-galactose, beta-D-glucose, L-glycero-alpha-D-manno-heptose (Hep) and 3-deoxy-D-manno-oct-2-ulose (Kdo) residues linked in a (1->3), (1->4), (1->4), (1->5) sequence, to the Hep residue of which is linked (1->3) an N-acetyl-alpha-D-glucosaminyl-(1->2)-L-glycero-alpha-D-manno-heptosyl side-chain. lpt3 and and lgtB mutant of the core oligosaccharide of Neisseria meningitidis. It is also related to or classified as amino heptasaccharide.
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)CC(O)(O[C@@H]3[C@H](O)CO)C(O)=O)O[C@H]([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H](O)CO)[C@@H](O)[C@@H]1OP(O)(=O)OCCN</smiles> is A branched oligosaccharide phosphate comprising a D-glucose residue, an N-acetyl-D-glucosamine residue, two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-3), with linkages as shown and with a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) residue at the reducing end. Corresponds to the galE mutant of the core oligosaccharide of Neisseria meningitidis. It is also related to or classified as oligosaccharide phosphate, amino pentasaccharide.
The molecule <smiles>C1CC2CC=CC2C1</smiles> is A carbobicyclic compound consisting of two ortho-fused cyclopentane rings and containing one double bond located at position 2. It is also related to or classified as polycyclic olefin, carbobicyclic compound.
The molecule <smiles>CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC</smiles> is A triglyceride obtained by condensation of each of the three hydroxy groups of glycerol with hexanoic (caproic) acid. It has the role of insect repellent. It is also related to or classified as triglyceride . It is also related to or classified as hexanoate ester .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is triacontapentaenoic acid having five double bonds located at positions 15, 18, 21, 24 and 27 (the 15Z,18Z,21Z,24Z,27Z-isomer). It is a conjugate acid of (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoate. It is also related to or classified as omega-3 fatty acid, triacontapentaenoic acid.
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)CC(O)(O[C@@H]3[C@H](O)CO)C(O)=O)O[C@H]([C@@H](O)CO)[C@H]2O)O[C@H]([C@@H](O)CO)[C@@H](O)[C@@H]1OP(O)(=O)OCCN</smiles> is A linear oligosaccharide phosphate comprising an N-acetyl-alpha-D-glucosamine residue,an L-glycero-alpha-D-manno-heptose residue phosphoethanolamine-substituted on O-3, another L-glycero-alpha-D-manno-heptose residue and a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) in a (1->2), (1->3), (1->5) sequence. Corresponds to the icsb mutant of the core oligosaccharide of Neisseria meningitidis. It is also related to or classified as oligosaccharide phosphate, amino tetrasaccharide.
The molecule <smiles>CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC</smiles> is A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by capric (decanoic) acid. It is also related to or classified as triglyceride . It is also related to or classified as decanoate ester .
The molecule <smiles>CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC</smiles> is A 2,3-diacyl-sn-glycerol in which both acyl groups are specified as caproyl (hexanoyl). It is also related to or classified as 2,3-diacyl-sn-glycerol . It is also related to or classified as hexanoate ester .
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)CC(O)(O[C@@H]2[C@H](O)CO)C(O)=O)O[C@H]([C@@H](O)CO)[C@H]1O)[C@@H](O)CO</smiles> is A linear amino tetrasaccharide comprising an N-acetyl-alpha-D-glucosamine residue,two L-glycero-alpha-D-manno-heptose residues and a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) in a (1->2), (1->3), (1->5) sequence. Corresponds to the icsb and lpt3 mutant of the core oligosaccharide of Neisseria meningitidis. It is also related to or classified as amino tetrasaccharide.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A CDP-diacylglycerol in which both of the phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl). It has the role of Mycoplasma genitalium metabolite. Its functional parent is hexadecanoic acid. It is a conjugate acid of CDP-dipalmitoyl-sn-glycerol(2-). It is also related to or classified as CDP-diacylglycerol .
The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCC</smiles> is A 2,3-diacyl-sn-glycerol in which both acyl groups are specified as myristoyl (tetradecanoyl). It is also related to or classified as 2,3-diacyl-sn-glycerol . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)CC(O)(O[C@@H]2[C@H](O)CO)C(O)=O)O[C@H]([C@@H](O)CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CO</smiles> is A branched amino pentasaccharide consisting of a trisaccharide chain of beta-D-glucose, L-glycero-alpha-D-manno-heptose (Hep) and 3-deoxy-D-manno-oct-2-ulose (Kdo) residues linked in a (1->4), (1->5) sequence, to the Hep residue of which is linked (1->3) an N-acetyl-alpha-D-glucosaminyl-(1->2)-L-glycero-alpha-D-manno-heptosyl side-chain. lpt3 and and galE mutant of the core oligosaccharide of Neisseria meningitidis. It is also related to or classified as amino pentasaccharide.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 2,3-diacyl-sn-glycerol in which both acyl groups are specified as palmitoyl (hexadecanoyl). Its functional parent is hexadecanoic acid. It is also related to or classified as 2,3-diacyl-sn-glycerol .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCC</smiles> is A 2,3-diacyl-sn-glycerol in which both acyl groups are specified as stearoyl (octadecanoyl). Its functional parent is octadecanoic acid. It is also related to or classified as 2,3-diacyl-sn-glycerol .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC</smiles> is A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by palmitic (hexadecanoic) acid. Its functional parent is hexadecanoic acid. It is also related to or classified as triglyceride .
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(O)(=O)OCCN)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@@H](O[C@@H]4[C@H](O)CC(O)(O[C@@H]4[C@H](O)CO)C(O)=O)O[C@@H]3[C@@H](O)CO)O[C@@H]2CO)[C@@H]1O</smiles> is A branched oligosaccharide phosphate comprising a D-galactose residue, two N-acetyl-D-glucosamine residues, a D-glucose residue, two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-3), with linkages as shown and with a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) residue at the reducing end. Corresponds to the lgtB mutant of the core oligosaccharide of Neisseria meningitidis. It is also related to or classified as oligosaccharide phosphate.
The molecule <smiles>CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC</smiles> is A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by myristic (tetradecanoic) acid. It is also related to or classified as triglyceride . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>[NH3+]CC[C@H](O)[C@H]([NH3+])C([O-])=O</smiles> is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino groups of (3S)-3-hydroxy-L-ornithine: major species at pH 7.3. It is a conjugate acid of (3S)-3-hydroxy-L-ornithine. It is also related to or classified as alpha-amino-acid cation.
The molecule <smiles>CCCC(N)C#N</smiles> is A nitrile that is pentanenitrile in which one of the alpha-hydrogens is replaced by an amino group.  It is also related to or classified as aliphatic nitrile . It is also related to or classified as primary amino compound.
The molecule <smiles>C[NH+](C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1</smiles> is an ammonium ion resulting from the protonation of the tertiary amino group of  1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile. It is a conjugate acid of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile. It is also related to or classified as ammonium ion derivative.
The molecule <smiles>[NH3+]CC[C@@H](O)C[C@H]([NH3+])C([O-])=O</smiles> is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino groups of (4R)-4-hydroxy-L-lysine: major species at pH 7.3. It is a conjugate acid of (4R)-4-hydroxy-L-lysine. It is also related to or classified as 4-hydroxy-L-lysine(1+) . It is also related to or classified as alpha-amino-acid cation.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is octacosanoic acid having six double bonds located at positions 10, 13, 16, 19, 22 and 25 (the 10Z,13Z,16Z,19Z,22Z,25Z-isomer). It is a conjugate acid of (10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoate. It is also related to or classified as omega-3 fatty acid, octacosahexaenoic acid.
The molecule <smiles>CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC</smiles> is A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by lauric (dodecanoic) acid. It is also related to or classified as triglyceride . It is also related to or classified as dodecanoate ester .
The molecule <smiles>NC(C#N)c1ccccc1</smiles> is A nitrile that is phenylacetonitrile in which one of the alpha-hydrogens is replaced by an amino group. Its functional parent is phenylacetonitrile. It is also related to or classified as nitrile . It is also related to or classified as primary amino compound.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO</smiles> is an ultra-long-chain primary fatty alcohol that is tetratriacontane in which one of the terminal methyl hydrogens is replaced by a hydroxy group. It has the role of plant metabolite. It is also related to or classified as ultra-long-chain primary fatty alcohol .
The molecule <smiles>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)[C@H]4NC(C)=O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O</smiles> is A linear amino hexasaccharide consisting of three repeats of a beta-D-glucuronosyl-(1->3)-N-acetyl-beta-D-glucosamine disaccharide unit linked (1->4). It is also related to or classified as amino hexasaccharide.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCO</smiles> is A very long-chain primary fatty alcohol that is tetracosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has been isolated from a variety of plants, including grape seeds, evening primrose (Oenothera biennis), pitaya fruits (Hylocereus polyrhizus and Hylocereus undatus), and the flowers of Arabian jasmine (Jasminum sambac). It has the role of vulnerary. It has the role of plant metabolite. It is also related to or classified as very long-chain primary fatty alcohol . It is also related to or classified as tetracosanol.
The molecule <smiles>CCCCCC(O)\C=C\C(OC)OC</smiles> is an acetal that is the methyl acetal obtained by formal condensation of the carbonyl group of (E)-4-hydroxynon-2-enal with two molar equivalents of methanol. It is also related to or classified as secondary alcohol . It is also related to or classified as acetal.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO</smiles> is an ultra-long-chain primary fatty alcohol that is dotriacontane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has the role of plant metabolite. It is also related to or classified as ultra-long-chain primary fatty alcohol .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCCO</smiles> is A fatty alcohol 20:1 that is icosanol containing a double bond located at position 11 (the 11Z-geoisomer). It is also related to or classified as primary alcohol . It is also related to or classified as fatty alcohol 20:1 .
The molecule <smiles>Brc1ccc(Oc2ccccc2)cc1</smiles> is an aromatic ether that is diphenyl ether substituted at position 4 by a bromo group. Its functional parent is diphenyl ether.  It is also related to or classified as organobromine compound . It is also related to or classified as aromatic ether.
The molecule <smiles>C=1C=C(C=CC1)C2=C(F)C=C(C(C(=O)OCCCCO[N+](=O)[O-])C)C=C2</smiles> is A carboxylic ester obtained by formal condensation of the carboxy group of  flurbiprofen with the free hydroxy group of 4-(nitrooxy)butanol. It is a non-steroidal anti-inflammatory agent showing inhibitory effects against the cyclooxygenases COX1 and COX2. It has the role of geroprotector. It has the role of non-steroidal anti-inflammatory drug. It has the role of vasodilator agent. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. Its functional parent is flurbiprofen.  It is also related to or classified as carboxylic ester . It is also related to or classified as organofluorine compound . It is also related to or classified as biphenyls, nitrate ester.
The molecule <smiles>CC(C)CCCCCCCCCCCCCCO</smiles> is A long-chain fatty alcohol that is hexadecan-1-ol bearing a methyl substituent at position 15. It is also related to or classified as long-chain primary fatty alcohol . It is also related to or classified as fatty alcohol 17:0 .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCCCCO</smiles> is A long-chain fatty alcohol that is (13Z)-docosene in which one of the terminal methyl hydrogens at position 1 is replaced by a hydroxy group. It is also related to or classified as long-chain primary fatty alcohol . It is also related to or classified as fatty alcohol 22:1 .
The molecule <smiles>CC(C)(C)[N+](\[O-])=C\c1ccc(O)cc1</smiles> is A nitrone that is the N-oxido derivative of 4-[(tert-butylimino)methyl]phenol. It has the role of antineoplastic agent. It has the role of radical scavenger. It has the role of mammalian metabolite. It is also related to or classified as phenols . It is also related to or classified as nitrone .
The molecule <smiles>CCC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)[C@H]4NC(=O)CC)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(=O)CC)[C@H](O)[C@H]1O)C(O)=O</smiles> is A linear amino hexasaccharide consisting of three repeats of a beta-D-glucuronosyl-(1->3)-N-propionyl-beta-D-glucosamine disaccharide unit linked (1->4). It is also related to or classified as amino hexasaccharide.
The molecule <smiles>OC[C@H]1O[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O</smiles> is A glucotriose consisting of one beta-D-glucose and two alpha-D-glucose residues linked sequentially (1->4) and (1->2). It is also related to or classified as glucotriose.
The molecule <smiles>CCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCC</smiles> is A 2,3-diacyl-sn-glycerol in which both acyl groups are specified as lauroyl (dodecanoyl). It is also related to or classified as didodecanoylglycerol . It is also related to or classified as 2,3-diacyl-sn-glycerol .
The molecule <smiles>CCCCCCCCCCCCCCCCOCC(=O)COP([O-])([O-])=O</smiles> is A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-palmitylglycerone 3-phosphate; major species at pH 7.3. It is also related to or classified as 1-alkylglycerone 3-phosphate(2-) .
The molecule <smiles>CCCCCCCC=C</smiles> is an alkene that is nonane containing one double bond located at position 1. It has the role of mammalian metabolite. It has the role of plant metabolite. It is also related to or classified as alkene .
The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> is A linear trisaccharide comprised of alpha-L-rhamnose, beta-D-glucose and alpha-D-glucose residues linked sequentially (1->3) and (1->4). It is also related to or classified as trisaccharide.
The molecule <smiles>O.Cl.CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C</smiles> is A hydrate that is the monohydrate form of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride. It is also related to or classified as hydrate.
The molecule <smiles>CCCCCCC(C)CCC(C)C</smiles> is A branched alkane that is undecane substituted at positions 2 and 5 by methyl groups. It is also related to or classified as alkane .
The molecule <smiles>CC(C)CCCCCCCCCCO</smiles> is A long-chain fatty alcohol that is dodecan-1-ol bearing a methyl substituent at position 11. It is also related to or classified as long-chain primary fatty alcohol . It is also related to or classified as fatty alcohol 13:0 .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A phosphatidate(2-) obtained by deprotonation of both phosphate OH groups of dihexadecanoylphosphatidic acid; major species at pH 7.3. It is also related to or classified as phosphatidate(2-) .
The molecule <smiles>C[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](O[C@H]2O[C@@H]([C@H](O[C@H]3O[C@@H]([C@H](O[C@@H]4O[C@H](C)[C@@H](NC=O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)C(N)=O)[C@H](O)[C@H]2NC(C)=O)C(N)=O)[C@@H]1O</smiles> is an amino tetrasaccharide comprising a 4-deoxy-4-formamido-beta-D-quinovose residue, two 2-acetamido-2-deoxy-alpha-D-galacturonamide residues and an N-acetyl-beta-D-quinovosamine residue linked in a (1->4), (1->4), (1->3) sequence. It is also related to or classified as amino tetrasaccharide.
The molecule <smiles>CCCCCCCCCCCCOCC(=O)COP([O-])([O-])=O</smiles> is A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-dodecylglycerone 3-phosphate; major species at pH 7.3. It is also related to or classified as 1-alkylglycerone 3-phosphate(2-) .
The molecule <smiles>C[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](O[C@H]2O[C@@H]([C@H](O[C@H]3O[C@@H]([C@H](O[C@@H]4O[C@H](C)[C@@H](NC=O)[C@H](O)[C@H]4O[C@@H]4O[C@H](C)[C@@H](O)[C@H](O[C@H]5O[C@@H]([C@H](O[C@H]6O[C@@H]([C@H](O[C@@H]7O[C@H](C)[C@@H](NC=O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)C(N)=O)[C@H](O)[C@H]5NC(C)=O)C(N)=O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)C(N)=O)[C@H](O)[C@H]2NC(C)=O)C(N)=O)[C@@H]1O</smiles> is an amino octasaccharide comprising two units, linked (1->2), of an amino tetrasaccharide, each unit consisting of 4-deoxy-4-formamido-beta-D-quinovose residue, two 2-acetamido-2-deoxy-alpha-D-galacturonamide residues and an N-acetyl-beta-D-quinovosamine residue linked in a (1->4), (1->4), (1->3) sequence. It is also related to or classified as amino octasaccharide.
The molecule <smiles>CCCCCCCCCCCCCCOCC(=O)COP([O-])([O-])=O</smiles> is A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-tetradecylglycerone 3-phosphate; major species at pH 7.3. It is also related to or classified as 1-alkylglycerone 3-phosphate(2-) .
The molecule <smiles>CC(C)CCCCCCCCCCCCO</smiles> is A long-chain fatty alcohol that is tetradecan-1-ol bearing a methyl substituent at position 13. It is also related to or classified as long-chain primary fatty alcohol . It is also related to or classified as fatty alcohol 15:0 .
The molecule <smiles>CCCC[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C</smiles> is an organic cation that is the conjugate acid of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide, obtained by protonation of the tertiary amino group. It is a conjugate acid of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>CCCCCCCCCCCCCCCOCC(=O)COP([O-])([O-])=O</smiles> is A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-pentadecylglycerone 3-phosphate; major species at pH 7.3. It is also related to or classified as 1-alkylglycerone 3-phosphate(2-) .
The molecule <smiles>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)C([O-])=O</smiles> is A acyl-CoA oxoanion that is the pentaanion of (3R)-3-carboxy-3-hydroxypropanoyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxy functions. It is also related to or classified as 3-carboxy-3-hydroxypropanoyl-CoA(5-) .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A cerebroside in which the ceramide N-acyl group is specified as tetracosanoyl. It is also related to or classified as cerebroside.
The molecule <smiles>CCCCCCCCCCCCCCCO</smiles> is A long-chain fatty alcohol that is pentadecane in which one of the terminal methyl hydrogens is replaced by a hydroxy group.  It is also related to or classified as long-chain primary fatty alcohol . It is also related to or classified as pentadecanol.
The molecule <smiles>CCCCCCCCCCCCCCCCCOCC(=O)COP([O-])([O-])=O</smiles> is A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-heptadecylglycerone 3-phosphate; major species at pH 7.3. It is also related to or classified as 1-alkylglycerone 3-phosphate(2-) .
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCCOCC(=O)COP([O-])([O-])=O</smiles> is A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-(9Z,12Z)-octadecadienylglycerone 3-phosphate; major species at pH 7.3. It is also related to or classified as 1-alkylglycerone 3-phosphate(2-) .
The molecule <smiles>CCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(O)(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A mannose phosphate consisting of beta-D-mannose having a (4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylpentacosyl)phosphate group at position 1. It is also related to or classified as mannose phosphate.
The molecule <smiles>CCCCCCCCCCCCCCCCCO</smiles> is A long-chain primary fatty alcohol that is heptadecane in which one of the terminal methyl hydrogens is replaced by a hydroxy group. It has the role of volatile oil component. It has the role of plant metabolite. It has the role of fungal metabolite.  It is also related to or classified as long-chain primary fatty alcohol . It is also related to or classified as heptadecanol.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCCO</smiles> is A long chain fatty primary alcohol that is octadecanol containing three double bonds located at positions 9, 12 and 15. It has the role of antibacterial agent. It is also related to or classified as long-chain primary fatty alcohol .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A cerebroside in which the ceramide N-acyl group is specified as hexadecanoyl. It is also related to or classified as HexCer(d34:1) .
The molecule <smiles>CCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(O)(O)=O</smiles> is A phospholipid that is the 4,8,12,16,20-pentamethylpentacosyl ester of phosphoric acid. It is also related to or classified as phospholipid .