mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>OC[C@@H]1CSC(=N1)c1ccccc1O</smiles> is aerugine. It has the role of metabolite. It is also related to or classified as phenols .
The molecule <smiles>O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1</smiles> is the diphenyl ester of benzene-1,2-dicarboxylic acid.  It is also related to or classified as diester . It is also related to or classified as phthalate ester.
The molecule <smiles>OC[C@H]1O[C@H](O[C@]2(CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A branched tetrasaccharide that consists of sucrose having two additional beta-fructosyl residues attached to the fructose at positions 1 and 6. Its functional parent is sucrose. It is also related to or classified as tetrasaccharide .
The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)OC2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C</smiles> is a linear amino trisaccharide consisting of a beta-D-galactosyl residue linked (1->3) to an N-acetyl-D-glucosaminyl residue, which is in turn linked (1->3) to N-acetyl-D-glucosamine at the reducing end. It is an amino trisaccharide and a galactosamine oligosaccharide.
The molecule <smiles>CC(=C)[C@H](O)CC\C(C)=C\CC\C(C)=C\CC\C(CO)=C\C[C@H]1OC(=O)C=C1CO</smiles> is Hippolide H. It has the role of metabolite. It is also related to or classified as diterpene lactone.
The molecule <smiles>C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)O)O)O)N</smiles> is an ADP-L-glycero-D-manno-heptose having beta-configuration at the anomeric centre of the heptose. It is a conjugate acid of an ADP-L-glycero-beta-D-manno-heptose(2-).
The molecule <smiles>[H][C@@]1(CC[C@]2([H])[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)[C@H](C)\C=C\[C@@H](C)C(C)C</smiles> is (22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,9,22-trien-3beta -ol. It has the role of metabolite. It is also related to or classified as ergostanoid.
The molecule <smiles>CC(=O)OC[C@H]1O[C@@H](OC[C@H]2OC(OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O</smiles> is an acetate ester formed by total acetylation of gentiobiose. It is also related to or classified as disaccharide . It is also related to or classified as acetate ester .
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1c(C)c(O)c2ccccc2c1O</smiles> is A menaquinol whose structure comprises a 2-methylbenzohydroquinone nucleus and a side chain of seven isoprenoid units. It has the role of electron donor. It is also related to or classified as menaquinol .
The molecule <smiles>CC1=C(C=C(C=C1)O)CC[C@H]2[C@@H]3CC[C@@H]([C@]3(CCC2=O)C)[C@H](C)C(=O)[O-]</smiles> is a steroid acid anion that is the conjugate base of 3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a steroid acid anion and a 7-oxo monocarboxylic acid anion. It is a conjugate base of a 3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oic acid.
The molecule <smiles>[C@@]1(C(NS(C2CC2)(=O)=O)=O)(C[C@H]1C=C)NC(=O)[C@H]3N4C[C@@H](C3)OC5=C(CCCCC[C@H]6[C@@H](C6)OC(N[C@H](C4=O)C(C)(C)C)=O)N=C7C(=N5)C=C(C=C7)OC</smiles> is an azamacrocyclic compound that is a hepatitis C protease inhibitor used in combination with elbasvir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults. It has the role of antiviral drug. It has the role of hepatoprotective agent. It has the role of hepatitis C protease inhibitor.  It is also related to or classified as lactam .     It is also related to or classified as N-sulfonylcarboxamide . It is also related to or classified as carbamate ester, aromatic ether, quinoxaline derivative, cyclopropanes, azamacrocycle.
The molecule <smiles>CC(CO)CCC\C(C)=C\CC\C(C)=C\CC\C(CO)=C\C[C@H]1OC(=O)C=C1CO</smiles> is Hippolide G. It has the role of metabolite. It is also related to or classified as diterpene lactone.
The molecule <smiles>CC(C)CCOC(=O)C</smiles> is the acetate ester of isoamylol. It has a role as a metabolite and a Saccharomyces cerevisiae metabolite. It derives from an isoamylol.
The molecule <smiles>CC(C)c1cc2CC[C@H]3C(C)(C)C[C@@H](O)C[C@]3(C)c2cc1O</smiles> is A  meroterpenoid that is ferruginol substituted by a beta-hydroxy group at position 6. It has been isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite. Its functional parent is ferruginol. It is also related to or classified as phenols . It is also related to or classified as carbotricyclic compound, meroterpenoid.
The molecule <smiles>C1CCC(CC1)(N1CCCC1)c1ccccc1</smiles> is pyrrolidine in which the hydrogen attached to the nitrogen is substituted by a 1-phenylcyclohex-1-yl group. It has the role of hallucinogen. It has the role of general anaesthetic. It has the role of NMDA receptor antagonist. It is also related to or classified as tertiary amine . It is also related to or classified as pyrrolidines.
The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)O)O)O)O)O</smiles> is an amino disaccharide that consists of N-acetyl-beta-D-glucosamine having a 6-O-sulfo-beta-D-galactosyl residue attached at position 4. It has a role as an epitope. It is an amino disaccharide and an oligosaccharide sulfate.
The molecule <smiles>OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A trisaccharide that consists of sucrose having an additional fructosyl residue attached to the fructose residue via a beta-(2->6)-linkage. Its functional parent is sucrose. It is also related to or classified as trisaccharide.
The molecule <smiles>CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O</smiles> is an aldehydo-N-acyl-D-mannosamine 6-phosphate that has acetyl as the acyl group. It derives from an aldehydo-D-mannosamine. It is a conjugate acid of a N-acetyl-D-mannosamine 6-phosphate(2-).
The molecule <smiles>C\C(CO)=C/CC\C(C)=C\CC\C(C)=C\CC\C(CO)=C\C[C@H]1OC(=O)C=C1CO</smiles> is Hippolide F. It has the role of metabolite. It is also related to or classified as diterpene lactone.
The molecule <smiles>C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)CO)OP(=O)(O)OP(=O)(O)OC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(\\C)/CCC=C(C)C)NC(=O)C)O)O)O[C@H]3[C@@H]([C@H]([C@@H](O3)[C@@H](CO)O[C@H]4[C@@H]([C@H]([C@@H](O4)[C@@H](CO[C@H]5[C@@H]([C@H]([C@@H](O5)[C@@H](CO)O[C@H]6[C@@H]([C@H]([C@@H](O6)[C@@H](CO[C@H]7[C@@H]([C@H]([C@@H](O7)[C@@H](CO)O[C@H]8[C@@H]([C@H]([C@@H](O8)[C@@H](CO[C@H]9[C@@H]([C@H]([C@@H](O9)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O</smiles> is a polyprenyl glycosyl phosphate consisting of the 32-membered glycosyl moiety, [beta-D-Galf-(1->5)-beta-D-Galf-(1->6)]14-beta-D-Galf-(1->5)-beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc attached at the 1-position to trans,octacis-decaprenyl phosphate. It is a polyprenyl glycosyl phosphate and an oligosaccharide derivative. It is a conjugate acid of a [beta-D-Galf-(1->5)-beta-D-Galf-(1->6)]14-beta-D-Galf-(1->5)-beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol(2-).
The molecule <smiles>CC(C)C1=C[C@@]23CC[C@@H]4[C@@](CCCC4(C)C)(C(=O)O2)C3=CC1=O</smiles> is an  abietane diterpenoid isolated from the stem bark of  Fraxinus sieboldiana. It has the role of plant metabolite. It is also related to or classified as cyclic terpene ketone, abietane diterpenoid, diterpene lactone.
The molecule <smiles>CCCN1CCCCC1C(=O)Nc1c(C)cccc1C</smiles> is the piperidinecarboxamide obtained by the formal condensation of N-propylpipecolic acid and 2,6-dimethylaniline. It is also related to or classified as piperidinecarboxamide.
The molecule <smiles>Cc1cc(C)c(C([O-])=O)c(C)c1</smiles> is A trimethylbenzoate in which the three methyl substituents are located at positions 2, 4 and 6. Its functional parent is benzoate. It is also related to or classified as trimethylbenzoate.
The molecule <smiles>CC1=C(C(=O)C2=CC=CC=C2N1O)C/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C</smiles> is a C-type aurachin that is quinolin-4-one which is substituted by a hydroxy group at positions 1, a methyl group at position 2, and a triprenyl group at position 3. It has a role as a bacterial metabolite, an EC 1.8.5.4 (sulfide:quinone reductase) inhibitor and an antibacterial agent. It is a C-type aurachin, a member of hydroxylamines, a quinolone and an organic heterobicyclic compound.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(CO)=C/C[C@H]1OC(=O)C=C1CO</smiles> is HippolideE. It has the role of metabolite. It is also related to or classified as diterpene lactone.
The molecule <smiles>C[C@@H]1[C@@H]([C@H](C2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]1OC(=O)C)OCO4)OC)OC)OC)OC)OC(=O)C)C</smiles> is a lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma. It has a role as a plant metabolite and a neuroprotective agent. It is an acetate ester, an aromatic ether, a lignan, an organic heterotetracyclic compound and an oxacycle.
The molecule <smiles>CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C</smiles> is an  abietane diterpenoid that is abieta-8,11,13-triene substituted by an oxo group at position 7. It has been isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite. It is also related to or classified as abietane diterpenoid, tricyclic diterpenoid.
The molecule <smiles>[Cl-].C[NH2+][C@@]1(CCCCC1=O)c1ccccc1Cl</smiles> is the hydrochloride salt of esketamine. It has the role of analgesic. It has the role of intravenous anaesthetic. It has the role of NMDA receptor antagonist. It is also related to or classified as ketamine hydrochloride .
The molecule <smiles>C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C</smiles> is an oxysterol that is cholesterol substituted at position 26 by a hydroxy group. It has a role as a human metabolite and an EC 3.1.1.1 (carboxylesterase) inhibitor. It is a 26-hydroxy steroid, an oxysterol and a 3beta-hydroxy-Delta(5)-steroid. It derives from a cholesterol.
The molecule <smiles>Cc1cc(C)c(C(O)=O)c(C)c1</smiles> is A trimethylbenzoic acid in which the three methyl substituents are located at positions 2, 4 and 6. Its functional parent is benzoic acid. It is a conjugate acid of 2,4,6-trimethylbenzoate. It is also related to or classified as trimethylbenzoic acid.
The molecule <smiles>[H][C@]1(CC(=O)OC1=O)[C@H](O)C\C=C(/CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C=O</smiles> is Hippolide D. It has the role of metabolite. It is also related to or classified as diterpenoid .
The molecule <smiles>CC[C@@H]1[C@@](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)[NH+](C)C)O)C)C)(C)O</smiles> is an organic cation that is the conjugate acid of methymycin, obtained by protonation of the tertiary amino group; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a methymycin.
The molecule <smiles>CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C=O)c2cc1O</smiles> is an  abietane diterpenoid that is abieta-8,11,13-trien-20-al substituted by a hydroxy group at position 12. It has been isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite. It is also related to or classified as aldehyde . It is also related to or classified as phenols . It is also related to or classified as abietane diterpenoid, tricyclic diterpenoid.
The molecule <smiles>O.[Cl-].CC[NH+](CC)CC(=O)Nc1c(C)cccc1C</smiles> is the monohydrate form of lidocaine hydrochloride. It has the role of local anaesthetic. It has the role of anti-arrhythmia drug. It is also related to or classified as hydrate.
The molecule <smiles>Cc1cccc(C)c1C([O-])=O</smiles> is A dimethylbenzoate in which the two methyl groups are located at positions 2 and 6. Its functional parent is benzoate. It is also related to or classified as dimethylbenzoate.
The molecule <smiles>C(NC(CCNC(=O)[C@@H](C(COP(O)(=O)O)(C)C)O)=O)CSC(=O)CC(O)=O</smiles> is an S-acyl-4'-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with one of the carboxy groups of malonic acid. Its functional parent is malonic acid. It is also related to or classified as S-acyl-4'-phosphopantetheine .
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(CO)=C/C[C@@H](O)C1=CC(=O)OC1</smiles> is Hippolide C. It has the role of metabolite. It is also related to or classified as diterpene lactone.
The molecule <smiles>C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COP(=O)([O-])[O-])O)CCC4=CC(=O)C=C[C@]34C)O.[Na+].[Na+]</smiles> is an organic sodium salt of prednisolone phosphate. It is an ophthalmology drug used for the treatment of short-term inflammatory eye conditions and helps relieve inflammation, redness and irritation of the eyes. It has a role as an ophthalmology drug, an anti-inflammatory agent, a glucocorticoid receptor agonist, a prodrug and an anti-allergic agent. It is an organic sodium salt and a glucocorticoid. It contains a prednisolone phosphate(2-).
The molecule <smiles>CCO[C@@H]1C[C@@H]2C(=CC(=O)CC2(C)C)c2cc(O)c(cc12)C(C)C</smiles> is A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite. It is also related to or classified as ether . It is also related to or classified as phenols . It is also related to or classified as cyclic terpene ketone, tricyclic diterpenoid.
The molecule <smiles>O.Cl.CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C</smiles> is A racemate composed of equimolar amounts of dextrobupivacaine hydrochloride hydrate and levobupivacaine hydrochloride hydrate. A piperidinecarboxamide-based local anaesthetic, it has a slow onset and long duration of action. It has the role of local anaesthetic. It has the role of EC 3.1.1.8 (cholinesterase) inhibitor. It has the role of adrenergic antagonist. It has the role of amphiphile. It has the role of EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor. It is also related to or classified as racemate.
The molecule <smiles>Cc1cccc(C)c1C(O)=O</smiles> is A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 6. Its functional parent is benzoic acid. It is a conjugate acid of 2,6-dimethylbenzoate. It is also related to or classified as dimethylbenzoic acid.
The molecule <smiles>CCCCCCCCCCCC</smiles> is a straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger). It has a role as a plant metabolite.
The molecule <smiles>[H][C@@]1(CC=C(CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](OC)O1)[C@]1([H])CC(=O)NC1=O</smiles> is Hippolide B. It has the role of metabolite. It is also related to or classified as diterpenoid .
The molecule <smiles>C([C@H]([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)O)OP(=O)(O)O</smiles> is a ketooctose derivative that is D-glycero-D-altro-octulose carrying a single phosphate substituent at position 8. It has a role as a mouse metabolite. It is a ketooctose derivative and a ketose phosphate.
The molecule <smiles>CC(C)c1cc2CC[C@@H]3C(=CC(=O)CC3(C)C)c2cc1O</smiles> is A  tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite. It is also related to or classified as phenols . It is also related to or classified as cyclic terpene ketone, tricyclic diterpenoid.
The molecule <smiles>O.CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1</smiles> is A hydrate, which is the hemihydrate form of the (S)-(-) (more active) enantiomer of timolol. It has the role of beta-adrenergic antagonist. It has the role of antihypertensive agent. It has the role of anti-arrhythmia drug. It has the role of antiglaucoma drug. It is also related to or classified as hydrate.
The molecule <smiles>Cc1ccc(C)c(c1)C([O-])=O</smiles> is A dimethylbenzoate in which the two methyl groups are located at positions 2 and 5. Its functional parent is benzoate. It is also related to or classified as dimethylbenzoate.
The molecule <smiles>[H][C@@]1(CC=C(CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)O1)[C@]1([H])CC(=O)NC1=O</smiles> is Hippolide A. It has the role of metabolite. It is also related to or classified as diterpenoid .
The molecule <smiles>CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O)N</smiles> is a tripeptide composed of two L-leucine units and L-serine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-leucine and a L-serine.
The molecule <smiles>CC(C)c1cc2ccc3c(C(=O)CCC3(C)C)c2cc1O</smiles> is A tricyclic diterpenoid isolated from the stem bark of  Fraxinus sieboldiana. It has the role of plant metabolite. It is also related to or classified as phenols . It is also related to or classified as cyclic terpene ketone, tricyclic diterpenoid.
The molecule <smiles>O[C@@H](COc1cccc(c1)C(F)(F)F)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O</smiles> is an organofluorine compound that is racemic prostaglandin F2alpha in which the pentyl group is replaced by a 3-(trifluoromethyl)phenoxymethyl group. A synthetic analogue of prostaglandin F2alpha, ophthalmic solutions of its isopropyl ester prodrug, travoprost, are used as a topical medication for controlling the progression of open-angle glaucoma and ocular hypertension, by reducing intraocular pressure. The isopropyl ester group of travoprost is hydrolysed to the biologically active free acid by esterases in the cornea. It has the role of antihypertensive agent. It has the role of antiglaucoma drug. It has the role of female contraceptive drug. It has the role of abortifacient. It has the role of prostaglandin receptor agonist.  It is also related to or classified as prostaglandins Falpha . It is also related to or classified as hydroxy monocarboxylic acid, (trifluoromethyl)benzenes.
The molecule <smiles>Cc1ccc(C)c(c1)C(O)=O</smiles> is A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 5. Its functional parent is benzoic acid. It is a conjugate acid of 2,5-dimethylbenzoate. It is also related to or classified as dimethylbenzoic acid.
The molecule <smiles>[H]C(=C([H])C([H])=C([H])C1=[N+](CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C)C([H])=C([H])C([H])=C1N(CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C</smiles> is the cationic form of a C7 cyanine dye having 3,3-dimethyl-1-octadecylindoleinine units at each end. It has the role of fluorochrome. It is also related to or classified as cyanine dye, indolium ion.
The molecule <smiles>[H]C(=O)[C@H]1C(=CC[C@@]2([H])[C@]3(C)CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)C([H])=O</smiles> is A scalarane sesterterpenoid with formula C27H40O4. It is a natural product found in the marine sponges Spongia officinalis and Cacospongia mollior, and exhibits anti-inflammatory activity. It has the role of TRP channel blocker. It has the role of EC 3.1.1.4 (phospholipase A2) inhibitor. It has the role of anti-inflammatory agent. It has the role of apoptosis inducer. It has the role of animal metabolite. It has the role of marine metabolite.   It is also related to or classified as acetate ester . It is also related to or classified as enal . It is also related to or classified as carbotetracyclic compound, dialdehyde, scalarane sesterterpenoid.
The molecule <smiles>CC1=CC([N+](=C2C1=CC3=CC4=C(C=C(C=C4)N(C)C)C(C3=C2)(C)C)CCCC(=O)O)(C)C</smiles> is the cationic form of a fluorescent dye derived from a tetrahydronaphtho[2,3-g]quinoline. It has a role as a fluorochrome. It is an organic heterotetracyclic compound and an organic cation.
The molecule <smiles>CC(C)c1cc2CCC3=C([C@H](O)CCC3(C)C)c2cc1O</smiles> is A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite. It is also related to or classified as phenols . It is also related to or classified as tricyclic diterpenoid.
The molecule <smiles>Cc1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)[C@@]1(C)[C@@H](C(O)=O)C(=CC=C51)C(O)=O)c(C)c4C=C)c(C)c3CCC(O)=O</smiles> is 2,2(1)-Dihydrobenzo[b]porphyrin-13,17-dipropanoic acid substituted by carboxy groups at positions 2(1) and 2(2), an ethenyl group at position 8, and methyl groups at positions 2, 7, 12 and 18 (the 2S,2(1)R-enantiomer). It is also related to or classified as tetracarboxylic acid, beta-substituted porphyrin.
The molecule <smiles>Cc1cccc(C([O-])=O)c1C</smiles> is A dimethylbenzoate in which the two methyl groups are located at positions 2 and 3. Its functional parent is benzoate. It is also related to or classified as dimethylbenzoate.
The molecule <smiles>C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C</smiles> is a tetracyclic triterpenoid that is 24,25-dihydrolanosterol carrying an additional methylene substituent at position 24. A natural product found in Taiwanofungus camphoratus. It has a role as a fungal metabolite. It is a 3beta-sterol, a tetracyclic triterpenoid and a 14alpha-methyl steroid. It derives from a 24,25-dihydrolanosterol.
The molecule <smiles>[H][C@@]12CC[C@@]3(C)[C@]4([H])CCc5cocc5[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O</smiles> is 16-Deacetoxy-12-epi-scalarafuranacetate. It has the role of metabolite. It is also related to or classified as scalarane sesterterpenoid.
The molecule <smiles>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](C4=CC=CC=C4)N)O</smiles> is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3R)-3-amino-3-phenylpropanoic acid. It derives from a (R)-3-amino-3-phenylpropanoic acid. It is a conjugate acid of a (3R)-3-ammonio-3-phenylpropanoyl-CoA(3-).
The molecule <smiles>CC(C)c1cc2C(=O)C[C@H]3[C@@](C)(CO)CCC[C@]3(O)c2cc1O</smiles> is A  tricyclic diterpenoid isolated from the stem bark of  Fraxinus sieboldiana. It has the role of plant metabolite. It is also related to or classified as phenols . It is also related to or classified as cyclic terpene ketone, tricyclic diterpenoid.
The molecule <smiles>Cc1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)[C@]1(C)[C@H](C(O)=O)C(=CC=C51)C(O)=O)c(C)c4C=C)c(C)c3CCC(O)=O</smiles> is 2,2(1)-Dihydrobenzo[b]porphyrin-13,17-dipropanoic acid substituted by carboxy groups at positions 2(1) and 2(2), an ethenyl group at position 8, and methyl groups at positions 2, 7, 12 and 18 (the 2R,2(1)S-enantiomer). It is also related to or classified as tetracarboxylic acid, beta-substituted porphyrin.
The molecule <smiles>Cc1cccc(C(O)=O)c1C</smiles> is A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 3. Its functional parent is benzoic acid. It is a conjugate acid of 2,3-dimethylbenzoate. It is also related to or classified as dimethylbenzoic acid.
The molecule <smiles>C(CC(=O)N)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)O)N</smiles> is a tripeptide composed of one L-glutamine and two L-cysteine units joined by peptide linkages. It derives from a L-glutamine and a L-cysteine.