mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>OC(=O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl</smiles> is A monocarboxylic acid that is the 4'-hydroxylated metabolite of diclofenac. It has the role of drug metabolite. It has the role of allergen. Its functional parent is diclofenac. It is also related to or classified as dichlorobenzene .  It is also related to or classified as phenols . It is also related to or classified as monocarboxylic acid, secondary amino compound.
The molecule <smiles>CCCCCCCCCCCCC(O)CCCCCCCCC</smiles> is A secondary fatty alcohol that is docosane substituted by a hydroxy group at position 10. It has the role of plant metabolite. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as docosanol.
The molecule <smiles>CCCCCCCCCCCCCC(O)CCCCCCCC</smiles> is A secondary fatty alcohol that is docosane substituted by a hydroxy group at position 9. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as docosanol.
The molecule <smiles>C1=CC=C(C(=C1/C=C/[C@H]([C@H](/C=C/C)O)O)CO)O</smiles> is A member of the class of benzyl alcohols resulting from the formal reduction of the aldehyde group of pyriculol. Produced by the rice blast fungus Magnaporthe oryzae. It has the role of fungal metabolite. Its functional parent is pyriculol. It is also related to or classified as homoallylic alcohol . It is also related to or classified as secondary allylic alcohol .   It is also related to or classified as phenols . It is also related to or classified as benzyl alcohols, tetrol, heptaketide.
The molecule <smiles>O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC(O)CCC=CCCCCC</smiles> is (3S,6Z)-3-hydroxydodecenoyl-CoA(4-). It is also related to or classified as medium-chain (3S)-hydroxy fatty acyl-CoA(4-) . It is also related to or classified as monounsaturated fatty acyl-CoA(4-) .
The molecule <smiles>O=C/1N2[C@](OCC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)CCC2</smiles> is (+)-aspamide D. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>CCCCCCCCCCC(O)CCCCCCCCCC</smiles> is A secondary fatty alcohol that is henicosane substituted by a hydroxy group at position 11. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as henicosanol.
The molecule <smiles>[H][C@]1(O[C@](O)(C[C@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO</smiles> is deaminoneuraminic acid in which the anomric configuration is alpha. It is a conjugate acid of deamino-alpha-neuraminate(1-). It is also related to or classified as deaminoneuraminic acid .
The molecule <smiles>CCCCCCCCCCCC(O)CCCCCCCCC</smiles> is A secondary fatty alcohol that is henicosane substituted by a hydroxy group at position 10. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as henicosanol.
The molecule <smiles>[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C</smiles> is 7beta-hydroxycholesterol. Its functional parent is cholesterol. It is also related to or classified as 7beta-hydroxy steroid . It is also related to or classified as oxysterol.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@]2(O[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](O)[C@@H](O)C2)C(=O)O)O)O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO)O[C@@H]4[C@H](C(O[C@@H]([C@@H]4O)CO[C@]5(O[C@]([C@@H]([C@@H](CO)O[C@]6(O[C@]([C@@H]([C@@H](CO)O[C@]7(O[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](O)[C@@H](O)C7)C(=O)O)O)([H])[C@H](O)[C@@H](O)C6)C(=O)O)O)([H])[C@H](O)[C@@H](O)C5)C(=O)O)O)NC(C)=O)NC(C)=O</smiles> is A branched oligosacharide consisting of a tetrasaccharide chain of  deamino-alpha-neuraminyl (KDN), beta-D-galactosyl, N-acetyl-alpha-D-galactosaminyl and N-acetyl-D-galactosamine residues linked sequentially (2->3), (1->3) and (1->3), to the reducing-end N-acetyl-D-galactosamine residue of which is also linked (2->6) a single KDN or a (2->8)-linked chain of KDN residues, the number of KDN residues in the chain ranging between 1 and 9, with an average of 3. The diagram shows the structure with 3 KDN residues in the side-chain. It is also related to or classified as oligosaccharide .
The molecule <smiles>CCCCCCCCCCCCCC(O)CCCCCCC</smiles> is A secondary fatty alcohol that is henicosane substituted by a hydroxy group at position 8. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as henicosanol.
The molecule <smiles>O[C@@H]([C@@H](O)[C@@H](O)C([O-])=O)[C@H](O)C([O-])=O</smiles> is an allaric acid anion that is the dianion resulting from the deprotonation of both the carboxy groups of allaric acid. It is also related to or classified as allaric acid anion.
The molecule <smiles>CCCCCCCCCCCCCCC(O)CCCCCC</smiles> is A secondary fatty alcohol that is henicosane substituted by a hydroxy group at position 7. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as henicosanol.
The molecule <smiles>CCCCCCCCCCCCCCCC(O)CCCCC</smiles> is A secondary fatty alcohol that is henicosane substituted by a hydroxy group at position 6. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as henicosanol.
The molecule <smiles>[H]C12CC3OC43CC(O)CCC4(C)C2([H])CCC5(C)C([H])(CCC15[H])C(C)CCCC(C)C</smiles> is an epoxy steroid that is cholesterol which has an epoxy group whose oxygen is attached to the 5 and 6-positions.  It is also related to or classified as 3beta-hydroxy steroid . It is also related to or classified as epoxy steroid, oxysterol.
The molecule <smiles>[H]C12C=CC(O)C3OC=4C(OCC(=O)O)=CC=C5C4C32CCN(C)C1C5</smiles> is A morphinane alkaloid that is morphine in which the hydroxy group at position 3 is replaced by a carboxymethoxy group. It has the role of hapten. Its functional parent is morphine.   It is also related to or classified as ether . It is also related to or classified as monocarboxylic acid, morphinane alkaloid, organic heteropentacyclic compound, tertiary amino compound.
The molecule <smiles>OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](COP(O)(O)=O)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 an oligosaccharide phosphate corresponding to the oligosaccharide repeating unit of Leishmania major promastigote lipophosphoglycan. It has the role of epitope. It is also related to or classified as oligosaccharide phosphate, trisaccharide derivative.
The molecule <smiles>CCCCCCCCCCCC(O)CCCCCCCC</smiles> is A secondary fatty alcohol that is icosane substituted by a hydroxy group at position 9. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as icosanol.
The molecule <smiles>[H]C12C=CC(OC(=O)CCC(=O)O)C3OC=4C(O)=CC=C5C4C32CCN(C)C1C5</smiles> is A morphinane alkaloid that is morphine in which the hydroxy group at position 6 is replaced by a hemisuccinoyl group. It has the role of opioid analgesic. It has the role of hapten. Its functional parent is morphine. It is also related to or classified as morphinane alkaloid, dicarboxylic acid monoester, organic heteropentacyclic compound, tertiary amino compound.
The molecule <smiles>OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@@H](O)[C@@H](COP(O)(O)=O)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]1O</smiles> is A tetrasaccharide derivative that is the tetrasaccharide phosphate corresponding to the oligosaccharide repeating unit of Leishmania major promastigote lipophosphoglycan. It has the role of epitope. It is also related to or classified as oligosaccharide phosphate, tetrasaccharide derivative.
The molecule <smiles>CCCCCCCCCCCCC(O)CCCCCCC</smiles> is A secondary fatty alcohol that is icosane substituted by a hydroxy group at position 8. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as icosanol.
The molecule <smiles>S([C@]12C(=O)C3=C(C(O)=CC=C3)C([C@]1(O)[C@@H](O[C@H](C2)CC(=O)OC)C)=O)[C@]45C(=O)C6=C(C(O)=CC=C6)C([C@]4(O)[C@@H](O[C@H](C5)CCO[C@H]7OC(C(=O)O)=C[C@H]([C@@H]7O)O)C)=O</smiles> is Naquihexcin A. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(O)CC</smiles> is A secondary fatty alcohol that is icosane substituted by a hydroxy group at position 3. It has the role of plant metabolite. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as icosanol.
The molecule <smiles>C(/C=C/C=C/C)O</smiles> is A medium-chain primary fatty alcohol that is hexan-1-ol with two trans double bonds at positions 2 and 4. It has the role of flavouring agent. It has the role of fragrance. It is also related to or classified as primary allylic alcohol . It is also related to or classified as medium-chain primary fatty alcohol . It is also related to or classified as alkenyl alcohol.
The molecule <smiles>CCCCCCCCCCCC(O)CCCCCCC</smiles> is A secondary fatty alcohol that is nonadecane substituted by a hydroxy group at position 8. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as nonadecanol.
The molecule <smiles>OCC(O)(C)CC(O)CC(C)C1CCC2C(=CC=C3C(=C)C(O)CC(O)C3)CCCC21C</smiles> is 1-alpha 23,25,26-trihydroxy vitamin D3. It is also related to or classified as organic molecular entity.
The molecule <smiles>O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC(O)CCCCCC=CCC=CCCCCC</smiles> is (S)-3-hydroxylinoleoyl-CoA(4-). Its functional parent is linoleate. It is also related to or classified as long-chain (3S)-hydroxy fatty acyl-CoA(4-) .
The molecule <smiles>C(/C=C/C(CCCCC)=O)O</smiles> is A medium-chain fatty alcohol that is (E)-non-2-en-1-ol which is substituted with an oxo group at position 4. It has the role of mouse metabolite. It is also related to or classified as primary allylic alcohol . It is also related to or classified as medium-chain primary fatty alcohol . It is also related to or classified as enone .
The molecule <smiles>OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)[C@H]1O</smiles> is A disaccharide phosphate corresponding to part of the oligosaccharide repeating unit of Leishmania major promastigote lipophosphoglycan. It has the role of epitope. It is also related to or classified as disaccharide phosphate, glycosylmannose derivative.
The molecule <smiles>CCCCCCCCCCCCC(O)CCCCCC</smiles> is A secondary fatty alcohol that is nonadecane substituted by a hydroxy group at position 7. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as nonadecanol.
The molecule <smiles>OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A glucotriose consisting of three. It has the role of bacterial xenobiotic metabolite. It is also related to or classified as glucotriose.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@H]2[C@@H]([C@H](C(O[C@@H]2CO)O)NC(=O)C)O[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)[O-])CCC(N[C@H](C([O-])=O)CCCC([NH3+])C(=O)[O-])=O)C)C</smiles> is A peptide anion obtained from N-acetyl-D-glucosaminyl-(1->4)-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysine. Major structure at pH 7.3. It is also related to or classified as peptide anion.
The molecule <smiles>N1C(NC(C12N=C(NC2=O)N)=O)=O</smiles> is an azaspiro compound that is 1,3,6,8-tetraazaspiro[4.4]non-6-ene which is substituted by oxo groups at positions 2, 4, and 9. Both enantiomers are highly mutagenic products resulting from the oxidation of guanine and 8-oxo-7,8-dihydroguanine in DNA by reactive oxygen species. It has the role of mutagen. Its functional parent is hydantoin. It is also related to or classified as azaspiro compound.
The molecule <smiles>CCCCCCCCCCCCCC(O)CCCCC</smiles> is A secondary fatty alcohol that is nonadecane substituted by a hydroxy group at position 6. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as nonadecanol.
The molecule <smiles>Cc1ccc(O)cc1C</smiles> is A member of the class of  phenols that is phenol substituted by methyl groups at positions 3 and 4. It is also related to or classified as phenols .
The molecule <smiles>C=12C(=CC(=C3C1C(C(C(=C2[O-])O)=O)=C(C=C3O)O)C)O</smiles> is an organic anion resulting from the deprotonation of the 3-hydroxy group of 2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one; major microspecies at pH 7.3. It is also related to or classified as organic anion.
The molecule <smiles>CCCCCCCCCCCCCCC(O)CCCC</smiles> is A secondary fatty alcohol that is nonadecane substituted by a hydroxy group at position 5. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as nonadecanol.
The molecule <smiles>O.O.O.O.[Na+].[Na+].OP([O-])(=O)C(Cl)(Cl)P(O)([O-])=O</smiles> is the tetrahydrate of the disodium salt of clodronic acid. It inhibits bone resorption and soft tissue calcification, and is used as an adjunct in the treatment of severe hypercalcaemia associated with malignancy, and in the management of osteolytic lesions and bone pain associated with skeletal metastases. It has the role of bone density conservation agent. It is also related to or classified as hydrate, one-carbon compound.
The molecule <smiles>C1C=Cc2cccc3cccc1c23</smiles> is phenalene. It is also related to or classified as ortho- and peri-fused polycyclic arene, ortho- and peri-fused tricyclic hydrocarbon.
The molecule <smiles>CCCCCCCCCCCCCCCC(O)CCC</smiles> is A secondary fatty alcohol that is nonadecane substituted by a hydroxy group at position 4. It has the role of plant metabolite. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as nonadecanol.
The molecule <smiles>O=C1C=2C(OC(=C1)CC(O)C)=C(C3=C(OC)C4=C(O)C=5C(=O)C=C(C)OC5C=C4C=C3OC)C6=CC(OC)=CC(=C6C2O)OC</smiles> is Aurasperone H. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])C=CCC=CCC=CCCCCC</smiles> is (2E,5Z,8Z)-tetradecatrienoyl-CoA(4-). It is also related to or classified as polyunsaturated fatty acyl-CoA(4-) . It is also related to or classified as long-chain 2,3-trans-enoyl CoA(4-) .
The molecule <smiles>COc1cc(\C=C\C(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc3C[C@@H](C([O-])=O)\[N+](=C/C=C4C[C@H](NC(=C\4)C(O)=O)C(O)=O)c3cc2O)C(O)=O)ccc1O</smiles> is Celosianin II. Its functional parent is betanidin.  It is also related to or classified as glycoside . It is also related to or classified as betalain.
The molecule <smiles>C12=C(C=C(C3=C1C(C(C(=C2O)O)=O)=C(C=C3O)O)C)O</smiles> is A carbotricyclic compound that is funalenone in which the methoxy group at position 2 has been demethylated to the corresponding hydroxy derivative. It is a conjugate acid of 2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one(1-). It is also related to or classified as phenols .  It is also related to or classified as enone . It is also related to or classified as carbotricyclic compound.
The molecule <smiles>[Na+].[Na+].OP([O-])(=O)C(Cl)(Cl)P(O)([O-])=O</smiles> is the disodium salt of clodronic acid. It inhibits bone resorption and soft tissue calcification, and is used (generally as the tetrahydrate) as an adjunct in the treatment of severe hypercalcaemia associated with malignancy, and in the management of osteolytic lesions and bone pain associated with skeletal metastases. It has the role of bone density conservation agent. It is also related to or classified as organic sodium salt, one-carbon compound.
The molecule <smiles>CCCCCCCCCCCCCCCCC(O)CC</smiles> is A secondary fatty alcohol that is nonadecane substituted by a hydroxy group at position 3. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as nonadecanol.
The molecule <smiles>[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCO)=C(O)[C@H]2N(C)C</smiles> is tetracycline in which the hydrogen at position 7 is substituted by chlorine and a hydrogen attached to the amide nitrogen is substituted by a hydroxymethyl group. A tetracyline antibiotic, it is used to treat acne, urinary tract infections, gum disease, and other bacterial infections such as gonorrhoea and chlamydia. It has the role of antimicrobial agent. It has the role of antiprotozoal drug. It has the role of antibacterial drug. It has the role of protein synthesis inhibitor. It is also related to or classified as tertiary alpha-hydroxy ketone . It is also related to or classified as tetracyclines.
The molecule <smiles>CCCCCC(/C=C/CO)O</smiles> is A medium-chain primary fatty alcohol that is (2E)-non-2-ene which is substituted by hydroxy groups at positions 1 and 4. It is also related to or classified as primary allylic alcohol . It is also related to or classified as secondary allylic alcohol . It is also related to or classified as medium-chain primary fatty alcohol . It is also related to or classified as 4-hydroxynonenol . It is also related to or classified as diol .
The molecule <smiles>OC[C@H]1OC(O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O</smiles> is A linear hexasaccharide consisting of D-mannosyl residues connected exclusively by alpha-linkages, obtained from acetolysis of Candida parapsilosis cell-wall D-mannan. It is also related to or classified as hexasaccharide.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(C)O</smiles> is A secondary fatty alcohol that is nonadecane substituted by a hydroxy group at position 2. It has the role of plant metabolite. It has the role of bacterial metabolite. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as nonadecanol.
The molecule <smiles>O=C([O-])C(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(OC2OC(CO)C(O)C(O)C2NC(=O)C)C(OC(O)C1NC(=O)C)CO)C)C)C(=O)[O-])CCCC(C(=O)[O-])[NH3+]</smiles> is major species at pH 7.3. It is also related to or classified as N-acetyl-D-glucosaminyl-(1->4)-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysine(2-) .
The molecule <smiles>C(/C=C/CCCCC)O</smiles> is A medium-chain primary fatty alcohol that is (E)-2-octene substituted by a hydroxy group at position 1. It has the role of flavouring agent. It has the role of fragrance. It is also related to or classified as primary allylic alcohol . It is also related to or classified as medium-chain primary fatty alcohol . It is also related to or classified as alkenyl alcohol.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCO</smiles> is A long-chain primary fatty alcohol that is nonadecane 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 nonadecanol.
The molecule <smiles>O=c1cc(oc2ccccc12)-c1ccccc1</smiles> is the simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. It has the role of metabolite. It has the role of nematicide. It is also related to or classified as flavones .
The molecule <smiles>[O-]C(=O)CCCCCCCCC=C</smiles> is an undecenoate that is the conjugate base of 10-undecenoic acid. It has the role of plant metabolite. It is also related to or classified as undecenoate.
The molecule <smiles>C(/C=C/CC/C=C\CC)O</smiles> is A primary allylic alcohol that is (2E,6Z)-nona-2,6-diene in which a hydrogen at position 1 has been replaced by a hydroxy group. It has the role of flavouring agent. It has the role of fragrance. It has the role of plant metabolite.  It is also related to or classified as primary allylic alcohol . It is also related to or classified as medium-chain primary fatty alcohol . It is also related to or classified as volatile organic compound, alkenyl alcohol.
The molecule <smiles>CCCCCCCCCC(O)CCCCCCCC</smiles> is A secondary fatty alcohol that is octadecane substituted by a hydroxy group at position 9. It has the role of plant metabolite. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as octadecanol.
The molecule <smiles>C1(NC(NC1(NC(=N)N)[H])=O)=O</smiles> is an imidazolidine-2,4-dione substituted by a guanidino group at position 5. Its functional parent is hydantoin. It is also related to or classified as guanidines, imidazolidine-2,4-dione.
The molecule <smiles>Nc1ccc2NC(=O)C(=O)c2c1</smiles> is isatin substituted at C-5 by an amino group. Its functional parent is isatin. It is also related to or classified as indoledione.
The molecule <smiles>CCCCCCCCCCC(O)CCCCCCC</smiles> is A secondary fatty alcohol that is octadecane substituted by a hydroxy group at position 8. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as octadecanol.
The molecule <smiles>c1ccc2cocc2c1</smiles> is 2-benzofuran. It is also related to or classified as benzofuran . It is also related to or classified as 2-benzofurans.
The molecule <smiles>CCCCCCCCCCCC(O)CCCCCC</smiles> is A secondary fatty alcohol that is octadecane substituted by a hydroxy group at position 7. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as octadecanol.
The molecule <smiles>[H][C@@]12[C@H](O)C(OC)=C[C@@]11CCCN1CCc1cc3OCOc3cc21</smiles> is A benzazepine alkaloid isolated from Cephalotaxus harringtonia. It is also related to or classified as secondary alcohol .    It is also related to or classified as enol ether . It is also related to or classified as organic heteropentacyclic compound, benzazepine alkaloid, benzazepine alkaloid fundamental parent, tertiary amino compound, cyclic acetal.
The molecule <smiles>CCCCCCCCCCCCC(O)CCCCC</smiles> is A secondary fatty alcohol that is octadecane substituted by a hydroxy group at position 6. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as octadecanol.
The molecule <smiles>O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CCCCCC=CCC=CCCCCC</smiles> is (7Z,10Z)-hexadecadienoyl-CoA(4-). It is also related to or classified as polyunsaturated fatty acyl-CoA(4-) . It is also related to or classified as long-chain 3-substituted propanoyl-CoA(4-) .
The molecule <smiles>O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC=CC=CCC=CCCCCC</smiles> is (3E,5Z,8Z)-tetradecatrienoyl-CoA(4-). It is also related to or classified as polyunsaturated fatty acyl-CoA(4-) . It is also related to or classified as (3E,5Z)-dienoyl-CoA .
The molecule <smiles>C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)[H])[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)[H])C</smiles> is lithocholate-3-O-beta-D-glucoside(1-). Its functional parent is lithocholate. It is also related to or classified as bile acid anion.
The molecule <smiles>CCCCCCCCCCCCCC(O)CCCC</smiles> is A secondary fatty alcohol that is octadecane substituted by a hydroxy group at position 5. It is also related to or classified as secondary fatty alcohol . It is also related to or classified as octadecanol.