mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1</smiles> is A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia. It has the role of antineoplastic agent. It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It has the role of apoptosis inducer.   It is also related to or classified as organofluorine compound . It is also related to or classified as purines, aromatic amine, quinazolines, secondary amino compound.
The molecule <smiles>CN[C@@H]1c2ccc(O)c(Oc3cc(O)c(Cl)c(c3)[C@@H]3NC(=O)[C@@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3ccc(O)c(c3)-c3c(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)cc(O)cc3[C@H](NC7=O)C(=O)NCCCN(C)C)c5O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)C(O)=O)cc4)NC1=O)c2</smiles> is A semisynthetic glycopeptide used for the treatment of acute bacterial skin and skin structure infections caused or suspected to be caused by susceptible isolates of designated Gram-positive microorganisms including MRSA. It has the role of antimicrobial agent. It has the role of antibacterial drug. It is also related to or classified as glycopeptide . It is also related to or classified as monosaccharide derivative, carbohydrate acid derivative, semisynthetic derivative.
The molecule <smiles>OC[C@@H](O)CN1CCN(CC1)c1ccccc1</smiles> is A member of the class of N-arylpiperazines that is N-phenylpiperazine in which the amino hydrogen is replaced by a 2,3-dihydroxypropyl group (the S-enantiomer). A peripherally acting antitussive drug that is used as an alternative to opioids. It has the role of antitussive. It is also related to or classified as secondary alcohol . It is also related to or classified as N-alkylpiperazine, N-arylpiperazine.
The molecule <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)n1)C([O-])=O</smiles> is A non-proteinogenic dipeptide formed from L-gamma-glutamic acid and hercynyl-L-selenocysteine residues. It has the role of fungal metabolite. Its functional parent is L-histidine. It is a conjugate acid of N(alpha)-(L-gamma-glutamyl)-hercynyl-L-selenocysteine(1-). It is also related to or classified as sulfoxide .  It is also related to or classified as dipeptide . It is also related to or classified as ammonium betaine.
The molecule <smiles>Cn1cnc(S)c1C[C@H]([NH3+])C([O-])=O</smiles> is an L-alpha-amino acid zwitterion formed from ovothiol A by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. Its functional parent is L-histidine zwitterion. It is also related to or classified as L-alpha-amino acid zwitterion .
The molecule <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1</smiles> is A C-glycosyl compound consisting of a beta-glucosyl residue having a (4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl group at the anomeric centre. A sodium-glucose co-transporter 2 inhibitor used as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. It has the role of hypoglycemic agent. It has the role of sodium-glucose transport protein subtype 2 inhibitor. It is also related to or classified as C-glycosyl compound, aromatic ether, tetrahydrofuryl ether, monochlorobenzenes.
The molecule <smiles>C1=C(C=CC(=C1F)C2=CN=C(C=C2)C=3N=NN(N3)C)N4C(O[C@H](C4)CO)=O</smiles> is A member of the class of pyridines that is pyridine which is substituted by a 2-methyl-2H-tetrazol-5-yl group at position 2 and by a 2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl group at position 5. It is used as its phosphate pro-drug used for the treatment of acute bacterial skin and skin structure infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis. It has the role of antimicrobial agent. It has the role of protein synthesis inhibitor. It has the role of drug metabolite. It is also related to or classified as primary alcohol .    It is also related to or classified as organofluorine compound . It is also related to or classified as carbamate ester, pyridines, tetrazoles, oxazolidinone.
The molecule <smiles>Cn1cnc(S)c1C[C@H](N)C(O)=O</smiles> is A L-histidine derivative that is L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively. It has the role of antioxidant. It has the role of radical scavenger. It has the role of marine metabolite. It is also related to or classified as aryl thiol . It is also related to or classified as non-proteinogenic L-alpha-amino acid, L-histidine derivative.
The molecule <smiles>C[NH+](C)[C@@H](Cc1c(S)ncn1C)C([O-])=O</smiles> is an L-alpha-amino acid zwitterion formed from ovothiol C by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. Its functional parent is L-histidine zwitterion. It is also related to or classified as L-alpha-amino acid zwitterion .
The molecule <smiles>C[NH2+][C@@H](Cc1c(S)ncn1C)C([O-])=O</smiles> is an L-alpha-amino acid zwitterion formed from ovothiol B by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. Its functional parent is L-histidine zwitterion. It is also related to or classified as L-alpha-amino acid zwitterion .
The molecule <smiles>CN[C@@H](Cc1c(S)ncn1C)C(O)=O</smiles> is A L-histidine derivative that is N-methyl-L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively. It has the role of antioxidant. It has the role of radical scavenger. It has the role of marine metabolite. It is also related to or classified as aryl thiol . It is also related to or classified as L-histidine derivative.
The molecule <smiles>CC(C)NC[C@@H](O)c1cc(O)cc(O)c1</smiles> is A 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol that is the (S)-enantiomer of orciprenaline. It is also related to or classified as 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol .
The molecule <smiles>C[C@@H](N1CCC(=C)CC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F</smiles> is A member of the class of triazoles that is butan-2-ol which is substituted at positions 1, 2, and 3 by 1,2,4-triazol-1-yl, 2,4-difluorophenyl, and 4-methylenepiperidin-1-yl groups, respectively (the 2R,3R stereoisomer). It is an antifungal drug used for the topical treatment of onychomycosis (a nail infection caused mainly by dermatophytes). It has the role of EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor.  It is also related to or classified as tertiary alcohol . It is also related to or classified as organofluorine compound . It is also related to or classified as piperidines, tertiary amino compound, olefinic compound, conazole antifungal drug, triazole antifungal drug.
The molecule <smiles>C=1(C2=CC=C(Cl)C=C2)NN=C(C1C3=CC=NC=N3)C4CCN(CC4)C(=O)CO</smiles> is A member of the class of pyrazoles that is 1H-pyrazole in which the hydrogens at positions 3, 4, and 5 are replaced by N-(hydroxyacetyl)piperidin-4-yl, pyrimidin-4-yl and p-chlorophenyl groups, respectively. It is also related to or classified as primary alcohol . It is also related to or classified as pyrazoles, pyrimidines, N-acylpiperidine, monochlorobenzenes.
The molecule <smiles>[NH3+][C@@H](Cc1nc[nH]c1S(=O)C[C@H]([NH3+])C([O-])=O)C([O-])=O</smiles> is an L-alpha-amino acid zwitterion formed from S-(5-histidyl)cysteine sulfoxide by transfer of protons from the two carboxy to the two amino grousp; major species at pH 7.3. Its functional parent is L-cysteine zwitterion. Its functional parent is L-histidine zwitterion. It is also related to or classified as L-alpha-amino acid zwitterion .
The molecule <smiles>CC(C)NC[C@H](O)c1cc(O)cc(O)c1</smiles> is A 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol that is the (R)-enantiomer of orciprenaline. It is also related to or classified as 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol .
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-6 fatty acid that is dotriacontapentaenoic acid having five double bonds located at positions 14, 17, 20, 23 and 26 (the 14Z,17Z,20Z,23Z,26Z-isomer). It is a conjugate acid of (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoate. It is also related to or classified as omega-6 fatty acid, dotriacontapentaenoic acid.
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC([O-])=O</smiles> is A dotriacontapentaenoate that is the conjugate base of (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as dotriacontapentaenoate .
The molecule <smiles>Cl.Cl.CC1CNCCN1S(=O)(=O)c1cccc2cnccc12</smiles> is A hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride. It has the role of EC 2.7.11.13 (protein kinase C) inhibitor. It is also related to or classified as hydrochloride.
The molecule <smiles>CC(=O)Nc1nc2ncc(C=O)nc2c(=O)[nH]1</smiles> is pterin acetylated on N-2 and carrying a formyl group at position 6. It is also related to or classified as pterins.
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of arachidonic acid. It has the role of antibacterial agent. It has the role of mouse metabolite. Its functional parent is arachidonic acid. It is also related to or classified as cholesteryl icosatetraenoate .
The molecule <smiles>N[C@@H](Cc1nc[nH]c1S(=O)C[C@H](N)C(O)=O)C(O)=O</smiles> is A L-cysteine derivative that is L-cysteine sulfoxide in which the hydrogen attached to sulfur is replaced by a 5-L-histidyl group. It has the role of marine metabolite. It is also related to or classified as sulfoxide . It is also related to or classified as non-proteinogenic L-alpha-amino acid, L-cysteine derivative, L-histidine derivative.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of stearic acid. It has the role of mouse metabolite. Its functional parent is octadecanoic acid. It is also related to or classified as cholesteryl ester .
The molecule <smiles>CC1C[NH2+]CCN1S(=O)(=O)c1cccc2c[nH+]ccc12</smiles> is 1-(5-isoquinolinesulfonyl)-2-methylpiperazine(2+). It is a conjugate acid of 1-(5-isoquinolinesulfonyl)-2-methylpiperazine. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>Cc1cccc2c(C([O-])=O)c(O)ccc12</smiles> is A member of the class of naphthoates that is 1-naphthoate substituted at positions 2 and 5 by hydroxy and methyl groups respectively; major species at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as naphthoate .
The molecule <smiles>Nc1ccn([C@@H]2O[C@H](COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]4[C@@H](COP(O)(=O)O[C@@H]5[C@@H](COP(O)(=O)O[C@@H]6[C@@H](COP(O)(=O)O[C@@H]7[C@@H](COP(O)(=O)O[C@@H]8[C@@H](CO)O[C@H]([C@@H]8O)n8cnc9c8nc(N)[nH]c9=O)O[C@H]([C@@H]7O)n7cnc8c(N)ncnc78)O[C@H]([C@@H]6O)n6cnc7c(N)ncnc67)O[C@H]([C@@H]5O)n5cnc6c(N)ncnc56)O[C@H]([C@@H]4O)n4ccc(N)nc4=O)O[C@H]([C@@H]3O)n3cnc4c(N)ncnc34)[C@@H](O)[C@H]2O)c(=O)n1</smiles> is an RNA fragment comprised of one guanosine, four adenosine and two cytidine residues connected by 3'->5' phosphodiester linkages in the sequence G-A-A-A-C-A-C. It is also related to or classified as RNA fragment.
The molecule <smiles>Cc1cccc2c(C(O)=O)c(O)ccc12</smiles> is A member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2 and 5 by hydroxy and methyl groups respectively. It has the role of bacterial metabolite. It is a conjugate acid of 2-hydroxy-5-methyl-1-naphthoate. It is also related to or classified as naphthols, naphthoic acid.
The molecule <smiles>CN(C)[C@@H](Cc1c(S)ncn1C)C(O)=O</smiles> is A L-histidine derivative that is N,N-dimethyl-L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively. It has the role of antioxidant. It has the role of radical scavenger. It has the role of marine metabolite. It is also related to or classified as aryl thiol . It is also related to or classified as L-histidine derivative.
The molecule <smiles>CC1=CC(=O)C2=C(O)C=CC=C2C1=O</smiles> is A  hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. It has the role of metabolite. It has the role of antineoplastic agent. It has the role of anticoagulant. It has the role of immunological adjuvant.  It is also related to or classified as phenols . It is also related to or classified as hydroxy-1,4-naphthoquinone.
The molecule <smiles>CO[C@@H]1\C=C\C=C(C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCS)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2</smiles> is an organic heterotetracyclic compound and 19-membered macrocyclic lactam that is maytansine in which one of the hydrogens of the terminal N-acetyl group is replaced by a sulfanylmethyl group. It has the role of antineoplastic agent. It has the role of tubulin modulator. Its functional parent is maytansine.  It is also related to or classified as thiol . It is also related to or classified as epoxide . It is also related to or classified as organochlorine compound .  It is also related to or classified as alpha-amino acid ester . It is also related to or classified as carbamate ester, organic heterotetracyclic compound, maytansinoid.
The molecule <smiles>CCCCCCCC(=O)N[C@H](C[NH+]1CCCC1)[C@H](O)c1ccc2OCCOc2c1</smiles> is an organic cation obtained by protonation of the tertiary amino function of eliglustat. It is a conjugate acid of eliglustat. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>CSCC[C@H](NC=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NP(=O)(OCCCN)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12</smiles> is A member of the family of microcins comprising a heptapeptide covalently liinked to 3-aminopropyl-AMP via an acylphosphoramide linkage. A potent inhibitor of aspartyl-tRNA synthetase. It has the role of EC 6.1.1.12 (aspartate--tRNA ligase) inhibitor. Its functional parent is adenosine 5'-monophosphate. It is also related to or classified as microcin.
The molecule <smiles>CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1</smiles> is A carboxamide obtained by formal condensation of the carboxy group of octanoic acid with the primary amino group of (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pyrrolidin-1-yl)propan-1-ol. A ceramide glucosyltransferase inhibitor used (as its tartrate salt) for treatment of Gaucher's disease. It has the role of EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor. It is also related to or classified as secondary alcohol . It is also related to or classified as carboxamide . It is also related to or classified as N-alkylpyrrolidine, benzodioxine.
The molecule <smiles>NCCCNCCCNCCCNCCCN</smiles> is A polyazaalkane that is the 1,5,9,13,17-pentaaza derivative of heptodecane. It has the role of marine metabolite. It is also related to or classified as polyazaalkane, primary amino compound, secondary amino compound.
The molecule <smiles>O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)c1ccc(O)cc1</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 4-(5-O-phospho-beta-D-ribofuranosyl)phenol; major species at pH 7.3. Its functional parent is D-ribofuranose 5-phosphate(2-). It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>[H][C@@]12CCc3ccc(O)cc3[C@@]1(C)CCC[C@]2(C)C(O)=O</smiles> is an abietane diterpenoid lacking the isopropyl substituent with an aromatic C-ring and a hydroxy group at the 12-position. It is also related to or classified as abietane diterpenoid.
The molecule <smiles>O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)c1ccc(O)cc1</smiles> is A ribose monophosphate that is D-ribofuranose 5-phosphate in which the anomeric OH group is replaced by a 4-hydroxy phenyl group (the beta-D-anomer). It has the role of bacterial metabolite. It is a conjugate acid of 4-(5-O-phosphonato-beta-D-ribofuranosyl)phenol(2-). It is also related to or classified as C-glycosyl compound, ribose monophosphate.
The molecule <smiles>[NH3+]CCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+]</smiles> is an organic cation obtained by protonation of the five amino groups of caldopentamine. It has the role of marine metabolite. It is a conjugate acid of caldopentamine(4+). It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>CCCCCC1=C\C(=C\c2[nH]c(cc2OC)-c2ccc[nH]2)N=C1C</smiles> is A member of the class of tripyrroles that is a red-coloured pigment with antibiotic properties produced by Serratia marcescens. It has the role of biological pigment. It has the role of antimicrobial agent. It has the role of antineoplastic agent. It has the role of apoptosis inducer. It has the role of bacterial metabolite.  It is also related to or classified as tripyrrole . It is also related to or classified as aromatic ether, ring assembly.
The molecule <smiles>[NH3+]CCCC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+]</smiles> is an organic cation obtained by protonation of the four primary amino groups of N(4)-bis(aminopropyl)spermidine. It has the role of bacterial metabolite. Its functional parent is N(4)-aminopropylspermidine(4+). It is a conjugate acid of N(4)-bis(aminopropyl)spermidine(1+). It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>NCCCC[N+](CCCN)(CCCN)CCCN</smiles> is A quaternary ammonium ion that is spermidine carrying two 3-aminopropyl substituents at the N-4 position. It has the role of bacterial metabolite. Its functional parent is N(4)-aminopropylspermidine. It is also related to or classified as quaternary ammonium ion . It is also related to or classified as polyazaalkane.
The molecule <smiles>CCCCC[C@@H](CC=O)C(C)=O</smiles> is A ketoaldehyde that is octanal carrying an acetyl substituent at position 3 (the S-enantiomer). It is also related to or classified as ketoaldehyde.
The molecule <smiles>NCCCNCCCCN(CCCN)CCCN</smiles> is A polyazaalkane that is spermine in which the amino hydrogen at postion 4 is replaced by a 3-aminopropyl group. It has the role of bacterial metabolite. Its functional parent is spermine. It is also related to or classified as polyazaalkane, primary amino compound, tertiary amino compound.
The molecule <smiles>OCC(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A glucosylglycerol consisting of an alpha-D-glucosyl residue attached at position 2 of glycerol via a glycosidic bond. It has the role of osmolyte. It has the role of bacterial metabolite. It is also related to or classified as alpha-D-glucoside . It is also related to or classified as glucosylglycerol.
The molecule <smiles>C[C@@](CCOP(O)(O)=O)(CC(O)=O)OP(O)(O)=O</smiles> is A carboxyalkyl phosphate that is mevalonic acid phosphorylated at positions 3 and 5. It is a conjugate acid of (R)-3,5-bisphosphonatomevalonate(5-). It is also related to or classified as carboxyalkyl phosphate.
The molecule <smiles>[NH3+]CCCC[NH+](CCC[NH3+])CCC[NH3+]</smiles> is an organic cation obtained by protonation of the four amino groups of N(4)-aminopropylspermidine. It has the role of bacterial metabolite. It is a conjugate acid of N(4)-aminopropylspermidine. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>NCCCCN(CCCN)CCCN</smiles> is A polyazaalkane that is spermidine in which the amino hydrogen at postion 4 is replaced by a 3-aminopropyl group. It has the role of bacterial metabolite. Its functional parent is spermidine. It is also related to or classified as polyazaalkane, primary amino compound, tertiary amino compound.
The molecule <smiles>C[C@@](CCO)(CC([O-])=O)OP([O-])([O-])=O</smiles> is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of (R)-3-phosphomevalonic acid; major species at pH 7.3. It is also related to or classified as hydroxy monocarboxylic acid anion, organophosphate oxoanion.
The molecule <smiles>C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12</smiles> is A 5'-deoxyribonucleoside in which hypoxanthine is attached to 5-deoxyribofuranose via a beta-N(9)-glycosidic bond. It has the role of bacterial metabolite. Its functional parent is inosine. It is also related to or classified as inosines, 5'-deoxyribonucleoside.
The molecule <smiles>C[C@@](CCO)(CC(O)=O)OP(O)(O)=O</smiles> is A carboxyalkyl phosphate that is mevalonic acid phosphorylated at position 3. Its functional parent is (R)-mevalonic acid. It is a conjugate acid of (R)-3-phosphonatomevalonate(3-). It is also related to or classified as primary alcohol . It is also related to or classified as carboxyalkyl phosphate.
The molecule <smiles>C[C@@](O)(CO)[C@H]1OC(=O)C=C2[C@@]11O[C@@H]1[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O</smiles> is Podolactone B. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>NCCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+]</smiles> is an organic cation obtained by protonation of four of the five amino groups of caldopentamine. It has the role of marine metabolite. It is a conjugate acid of caldopentamine. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>Cc1cccc(C)c1N(C1CCOC1=O)C(=O)CCl</smiles> is an aromatic amide that is 2,6-dimethylaniline in which the two amino hydrogens are replaced by chloroacetyl and 2-oxotetrahydrofuran-3-yl groups. It is also related to or classified as tertiary carboxamide .  It is also related to or classified as organochlorine compound . It is also related to or classified as butan-4-olide, aromatic amide.
The molecule <smiles>COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C</smiles> is an alanine derivative that is the N-phenylacetyl derivative of methyl N-(2,6-dimethylphenyl)alaninate.  It is also related to or classified as methyl ester . It is also related to or classified as carboxamide . It is also related to or classified as alanine derivative, aromatic amide.
The molecule <smiles>[NH3+]CCC[NH2+]CCCC[NH+](CCC[NH3+])CCC[NH3+]</smiles> is an organic cation obtained by protonation of the five amino groups of N(4)-aminopropylspermine. It has the role of bacterial metabolite. It is a conjugate acid of N(4)-aminopropylspermine. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>C[C@@](CCOP([O-])([O-])=O)(CC([O-])=O)OP([O-])([O-])=O</smiles> is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of (R)-3,5-bisphosphomevalonic acid; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion . It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1OP(O)(=O)O[C@H]1C(O)OC[C@H](O)[C@@H]1O</smiles> is A member of the class of agrocinopines that consists of sucrose and L-arabinose units joined via a  phosphodiester linkage between position 4(F) of sucrose and position 2 of arabinose. It has the role of plant metabolite. Its functional parent is L-arabinopyranose. Its functional parent is sucrose. It is also related to or classified as agrocinopine.
The molecule <smiles>COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)C(=O)c2cc3OCOc3cc12</smiles> is Podophyllotoxone. It is also related to or classified as lactone . It is also related to or classified as lignan .