mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(=O)N[C@@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCCCC</smiles> is A ceramide phosphoinositol compound having a tetracosanoyl group amide-linked to a C20 phytosphingosine base, with hydroxylation at C-2 and C-3 of the C24 very-long-chain fatty acid. It is also related to or classified as inositol phosphoceramide .
The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](OC([C@@H]2O)O)CO)O)CO)O)O</smiles> is an amino disaccharide consisting of 2-acetamido-2-deoxy-beta-D-glucopyranose and D-galactopyranose residues joined by a (1->3) glycosidic bond. It is an amino disaccharide and a member of acetamides. It derives from a D-galactopyranose and a N-acetyl-beta-D-glucosamine.
The molecule <smiles>[H][C@]1(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](Oc3cc(OC)cc4C(=O)c5cc(C)cc(O)c5C(=O)c34)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O</smiles> is A monohydroxy-9,10-anthraquinone that is the tetrasaccharide derivative of physcion. Isolated from Cassia torosa, it exhibits inhibitory effect towards the release of leucotrienes. It has the role of metabolite. It has the role of leukotriene antagonist. It has the role of anti-allergic agent. Its functional parent is physcion. It is also related to or classified as monohydroxyanthraquinone, tetrasaccharide derivative.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCCCC</smiles> is A ceramide phosphoinositol compound having a tetracosanoyl group amide-linked to a C20 phytosphingosine base, with hydroxylation at C-2 of the C24 very-long-chain fatty acid. It is also related to or classified as inositol phosphoceramide .
The molecule <smiles>CC(O)C(C)C1=C2C(C)(C)[C@H]3CC[C@@]2(C3)C(C)(C)CC1</smiles> is 5-(3-hydroxybutan-2-yl)isolongifol-5-ene. It has the role of fragrance. It is also related to or classified as isolongifolane sesquiterpenoid.
The molecule <smiles>C[C@]12[C@H]3[C@@H]([C@@]45CC(=C)[C@@](C4)(CC[C@H]5[C@@]3(C[C@H]6[C@@H]1O6)OC2=O)O)C(=O)O</smiles> is a C19-gibberellin, initially identified in Phaseolus coccineus and differing from gibberellin A1 by the conversion of the OH at C-2 (gibbane numbering) into an epoxide across C-2 and C-3. It is a lactone, a C19-gibberellin and a gibberellin monocarboxylic acid.
The molecule <smiles>Cc1cc(=O)c2c(O)c3C(=O)c4c(O)cc(O)cc4C(=O)c3cc2o1</smiles> is A naphthochromene that is 4H-naphtho[2,3-g]chromene-4,6,11-trione substituted by hydroxy groups at positions 5, 7 and 9 and a methyl group at position 2. It is isolated from fungal strains Phoma and Penicillium and acts as an inhibitor of the enzyme topoisomerase I. It has the role of antiviral agent. It has the role of antimicrobial agent. It has the role of antineoplastic agent. It has the role of EC 5.99.1.2 (DNA topoisomerase) inhibitor. It has the role of Penicillium metabolite.  It is also related to or classified as phenols . It is also related to or classified as p-quinones, naphthochromene.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCCCC</smiles> is A ceramide phosphoinositol compound having a hexacosanoyl group amide-linked to a C20 phytosphingosine base, with hydroxylation at C-2 of the very-long-chain fatty acid. It is also related to or classified as inositol phosphoceramide .
The molecule <smiles>CC(CO)C1CCC(C)(C)[C@@]23CC[C@@H](C2)C(C)(C)C13</smiles> is 5-(1-hydroxypropan-2-yl)isolongifolane. It has the role of fragrance. It is also related to or classified as isolongifolane sesquiterpenoid.
The molecule <smiles>CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)C</smiles> is a nucleobase analogue that is uracil substituted with a methyl group at position 6 and a (1E)-3-oxobut-1-en-1-yl group at position 5; one of 20 modifications to the potent microbial riboflavin-based metabolite antigen 5-(2-oxopropylideneamino)-6-D-ribityl aminouracil (5-OP-RU), an activator of mucosal-associated invariant T (MAIT) cells when presented by the MR1 protein (reported in MED:32123373). It has a role as an epitope. It is a nucleobase analogue and a pyrimidone. It derives from a uracil.
The molecule <smiles>Cc1cc(=O)c2c(O)cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c2o1</smiles> is A naphthochromene that is 4H-naphtho[2,3-h]chromene-4,7,12-trione substituted by hydroxy groups at positions 5, 9 and 11 and a methyl group at position 2. It is isolated from fungal strains Phoma and Penicillium and acts as an inhibitor of the enzyme topoisomerase I. It has the role of antiviral agent. It has the role of antimicrobial agent. It has the role of antineoplastic agent. It has the role of EC 5.99.1.2 (DNA topoisomerase) inhibitor. It has the role of Penicillium metabolite.  It is also related to or classified as phenols . It is also related to or classified as p-quinones, naphthochromene.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCCCC</smiles> is A ceramide phosphoinositol compound having a hexacosanoyl group amide-linked to a C20 phytosphingosine base, with no additional hydroxylation of the very-long-chain fatty acid. It is also related to or classified as inositol phosphoceramide .
The molecule <smiles>C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)C)=O</smiles> is an N-acetylmannosamine in open-chain aldehyde form with D-configuration. It has the role of human metabolite. It is also related to or classified as N-acetylmannosamine.
The molecule <smiles>CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is the N-acetyl derivative of D-tryptophan. It is a conjugate acid of N-acetyl-D-tryptophanate. It is also related to or classified as N-acetyl-D-amino acid, D-tryptophan derivative.
The molecule <smiles>C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)N</smiles> is a tripeptide composed of two L-alanyl units and an L-proline joined by peptide linkages. It has a role as a metabolite. It derives from a L-alanine and a L-proline.
The molecule <smiles>Cc1cc(=O)c2c(O)c3C(=O)c4c(O)c(Cl)c(O)cc4C(=O)c3cc2o1</smiles> is A naphthochromene that is 4H-naphtho[2,3-g]chromene-4,6,11-trione substituted by a chloro group at position 8, hydroxy groups at positions 5, 7 and 9 and a methyl group at position 2. It is isolated from a fungal strain Phoma sp.BAUA2861 and acts as an inhibitor of the enzyme topoisomerase I. It has the role of antiviral agent. It has the role of metabolite. It has the role of antimicrobial agent. It has the role of antineoplastic agent. It has the role of EC 5.99.1.2 (DNA topoisomerase) inhibitor.  It is also related to or classified as phenols . It is also related to or classified as organochlorine compound . It is also related to or classified as p-quinones, naphthochromene.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCCCC</smiles> is A ceramide phosphoinositol compound having a tetracosanoyl group amide-linked to a C20 phytosphingosine base, with no additional hydroxylation of the very-long-chain fatty acid. It is also related to or classified as inositol phosphoceramide .
The molecule <smiles>C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN</smiles> is a 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups. It has a role as an EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor and a bone density conservation agent. It is a 1,1-bis(phosphonic acid) and a primary amino compound. It is a conjugate acid of an alendronate(1-).
The molecule <smiles>C1=C(C(=O)[C@H]2[C@@H]([C@H]1O)O2)CO</smiles> is a cyclic ketone that is (-)-phyllostine in which the carbonyl group which is furthest from the hydroxymethyl substituent has been formally reduced to give the corresponding secondary alcohol with S configuration. A metabolite of the patulin pathway in Penicillium urticae. It has a role as a Penicillium metabolite. It is an epoxide, a primary allylic alcohol, a secondary allylic alcohol, an enone and a cyclic ketone.
The molecule <smiles>Cc1cc(=O)c2c(O)cc3C(=O)c4cc(O)c(Cl)c(O)c4C(=O)c3c2o1</smiles> is A naphthochromene that is 4H-naphtho[2,3-h]chromene-4,7,12-trione substituted by a chloro group at position 10, hydroxy groups at positions 5, 9 and 11 and a methyl group at position 2. It is isolated from a fungal strain Phoma sp.BAUA2861 and acts as an inhibitor of the enzyme topoisomerase I. It has the role of antiviral agent. It has the role of metabolite. It has the role of antimicrobial agent. It has the role of antineoplastic agent. It has the role of EC 5.99.1.2 (DNA topoisomerase) inhibitor.  It is also related to or classified as phenols . It is also related to or classified as organochlorine compound . It is also related to or classified as p-quinones, naphthochromene.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC</smiles> is an inositol phosphoceramide compound having a 2-hydroxyhexacosanoyl group amide-linked to a C20 sphinganine, no hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 of the very-long-chain fatty acid. It is also related to or classified as inositol phosphoceramide .
The molecule <smiles>C(=O)([C@@H]([NH3+])C)N1[C@H](C(=O)NCC(=O)[O-])CCC1</smiles> is A tripeptide zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of Ala-Pro-Gly. Major microspecies at pH 7.3. It is also related to or classified as tripeptide zwitterion .
The molecule <smiles>CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]</smiles> is an organic sodium salt and a xanthene dye. It has a role as a fluorochrome. It contains a sulforhodamine G anion.
The molecule <smiles>[H][C@]12CC[C@]3(C)Oc4ccc(cc4C[C@@]3([H])[C@]1(C)C[C@@H](O)[C@@]1([H])C(C)(C)CC[C@@H](O)[C@]21C)C(=O)OC</smiles> is A diterpenoid natural product obtained from the cyanobacterium Tolypothrix nodosa. It shows strong anti-inflammatory activity in the mouse ear edema assay. It has the role of metabolite. It has the role of anti-inflammatory agent. It is also related to or classified as diol . It is also related to or classified as diterpenoid . It is also related to or classified as methyl ester . It is also related to or classified as secondary alcohol . It is also related to or classified as polycyclic ether, organic heteropentacyclic compound, oxacycle.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC</smiles> is an inositol phosphoceramide compound having a tetracosanoyl group amide-linked to a C20 sphinganine, no hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 of the very-long-chain fatty acid. It is also related to or classified as inositol phosphoceramide .
The molecule <smiles>CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)N</smiles> is a dipeptide composed of L-leucine and L-asparagine joined by a peptide linkage. It has a role as a metabolite. It derives from a L-leucine and a L-asparagine.
The molecule <smiles>CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)\C(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(C)C)=C/C)C(C)C)[C@@H](C)O</smiles> is A homodetic cyclic peptide isolated from the culture medium of the cyanobacterium Tolypothrix byssoidea. It has the role of antifungal agent. It has the role of bacterial metabolite. It is also related to or classified as homodetic cyclic peptide.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC</smiles> is an inositol phosphoceramide compound having a hexacosanoyl group amide-linked to a C20 sphinganine. It is also related to or classified as inositol phosphoceramide .
The molecule <smiles>O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C([C@H](O)C(C4)([2H])[2H])([2H])[2H])[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C</smiles> is deoxycholic acid-2,2,4,4-d4. It is also related to or classified as deoxycholic acid . It is also related to or classified as deuterated compound.
The molecule <smiles>C(C[C@@H](C(=O)[O-])NC(=O)CC[NH3+])C[NH+]=C(N)N</smiles> is a peptide cation that is the conjugate acid of beta-alanyl-L-arginine, arising from the deprotonation of the carboxy group and protonation of both the primary amino and guanidino groups; major species at pH 7.3. It is a conjugate acid of a beta-alanyl-L-arginine.
The molecule <smiles>CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](Cc2ccccc2)NC1=O)=C\C)C(C)C)[C@@H](C)OC(C)=O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC</smiles> is A homodetic cyclic peptide isolated from the culture medium of the cyanobacterium Tolypothrix byssoidea. It has the role of antifungal agent. It has the role of bacterial metabolite. It is also related to or classified as homodetic cyclic peptide.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC</smiles> is an inositol phosphoceramide compound having a tetracosanoyl group amide-linked to a C20 sphinganine. It is also related to or classified as inositol phosphoceramide .
The molecule <smiles>CC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A  histidine derivative that is L-histidine having an acetyl substituent on the alpha-nitrogen. It has the role of animal metabolite. It is a conjugate acid of N-acetyl-L-histidinate.   It is also related to or classified as N-acetylhistidine . It is also related to or classified as N-acetyl-L-amino acid, L-histidine derivative.
The molecule <smiles>CC(C)CCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O</smiles> is a methyl-branched fatty acyl-CoA obtained from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-isoheptadec-2-enoic acid. It is a long-chain fatty acyl-CoA, a methyl-branched fatty acyl-CoA, an 11,12-saturated fatty acyl-CoA, a trans-2-enoyl-CoA and a monounsaturated fatty acyl-CoA. It is a conjugate acid of an (E)-isoheptadec-2-enoyl-CoA(4-).
The molecule <smiles>C[C@H](/C=C/CC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@@]24C[C@H]([C@@]5([C@@]3(CC[C@@H](C5)OS(=O)(=O)[O-])CO4)O)O)C</smiles> is an organosulfonate oxoanion obtained by the deprotonation of the sulfate group of eurysterol B hydrogen sulfate. It is a conjugate base of a eurysterol B sulfonic acid.
The molecule <smiles>CC[C@@H](C)C(=O)C(=O)N[C@H]1Cc2ccc(O)c(c2)-c2cccc3c2NC(=O)[C@@]3(O)[C@@H](O)[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N\C=C/C</smiles> is A 17-membered macrocyclic lactam that incorporates a phenol and a substituted indole moiety. It includes a R-hydroxy group at position 11 and a (3-methyl-2-oxopentanoyl)amino group at position at position 18 with a S-methyl group. It acts as a proteasome inhibitor and is obtained from Apiospora montagnei Sacc. TC 1093, isolated from a soil sample. It has the role of antimicrobial agent. It has the role of antineoplastic agent. It has the role of proteasome inhibitor. It has the role of fungal metabolite.  It is also related to or classified as lactam . It is also related to or classified as tertiary alcohol . It is also related to or classified as phenols . It is also related to or classified as secondary alcohol . It is also related to or classified as macrocycle . It is also related to or classified as indoles.
The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]6[C@H](O)[C@@H](O)C(O)O[C@@H]6CO)[C@@H]5O)[C@H](NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A branched amino octasaccharide made up from three galactose residues, two N-acetylglucosamine residues, one glucose residue and two fucose residues. It is also related to or classified as glucosamine oligosaccharide, amino octasaccharide.
The molecule <smiles>CC1(C)CCC(CCO)=C2C(C)(C)[C@H]3CC[C@@]12C3</smiles> is 5-(2-hydroxyethyl)isolongifol-5-ene. It has the role of fragrance. It is also related to or classified as homoallylic alcohol . It is also related to or classified as isolongifolane sesquiterpenoid.
The molecule <smiles>CCCCC/C=C\\C/C=C\\C=C\\C=C\\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N</smiles> is a leukotriene that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 5 (5S) and a L-cysteinylglycinyl group at position 6 (6R). It has a role as a human metabolite, a bronchoconstrictor agent and a mouse metabolite. It is an organic sulfide, a dipeptide and a leukotriene. It derives from an icosa-7,9,11,14-tetraenoic acid. It is a conjugate acid of a leukotriene D4(1-).
The molecule <smiles>CC[C@H](C)C(=O)C(=O)N[C@H]1Cc2ccc(O)c(c2)-c2cccc3c2NC(=O)[C@@]3(O)[C@@H](O)[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N\C=C/C</smiles> is A 17-membered macrocyclic lactam that incorporates a phenol and a substituted indole moiety. It includes a S-hydroxy group at position 11 and a (3-methyl-2-oxopentanoyl)amino group at position 18 with a S-methyl group. It acts as a proteasome inhibitor and is isolated from Apiospora montagnei Sacc. TC 1093, isolated from a soil sample. It has the role of antimicrobial agent. It has the role of antineoplastic agent. It has the role of proteasome inhibitor. It has the role of fungal metabolite.  It is also related to or classified as lactam . It is also related to or classified as tertiary alcohol . It is also related to or classified as phenols . It is also related to or classified as secondary alcohol . It is also related to or classified as macrocycle . It is also related to or classified as indoles.
The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A branched amino octasaccharide consisting of a beta-D-galactosyl-(1->4)-D-glucose moiety with the galactosyl residue having an alpha-L-fucosyl-(1->3)-[beta-D-galactosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl group attached at the 3-position and an alpha-L-fucosyl-(1->3)-[beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl group at the 6-position. It is also related to or classified as glucosamine oligosaccharide, amino octasaccharide.
The molecule <smiles>[H]C(=O)O\C=C(/C)CCC1=C(C)CCCC1(C)C</smiles> is an apo carotenoid sesquiterpenoid that consists of a cylohexene ring substituted by methyl groups at positions 2, 6 and 6 and a (1E)-1-(formyloxy)-2-methylbut-1-en-4-yl group at position 2. It has the role of luciferin. It has the role of animal metabolite. It is also related to or classified as apo carotenoid sesquiterpenoid, formate ester.
The molecule <smiles>COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O</smiles> is a glycosyloxyflavone that is isorhamnetin substituted at position 7 by a beta-D-glucosyl residue. It has a role as a metabolite. It is a beta-D-glucoside, a glycosyloxyflavone, a monomethoxyflavone, a monosaccharide derivative and a trihydroxyflavone. It derives from a beta-D-glucose and an isorhamnetin.
The molecule <smiles>CC[C@@H](C)C(=O)C(=O)N[C@H]1Cc2ccc(O)c(c2)-c2cccc3c2NC(=O)[C@@]3(O)[C@H](O)[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N\C=C/C</smiles> is A 17-membered macrocyclic lactam that incorporates a phenol and a substituted indole moiety. A stereoisomer of TMC-95A, it has a [(3R)-3-methyl-2-oxopentanoyl]amino group at position 18. It acts as a proteasome inhibitor and is isolated from Apiospora montagnei Sacc. TC 1093, isolated from a soil sample. It has the role of antimicrobial agent. It has the role of antineoplastic agent. It has the role of proteasome inhibitor. It has the role of fungal metabolite.  It is also related to or classified as lactam . It is also related to or classified as tertiary alcohol . It is also related to or classified as phenols . It is also related to or classified as secondary alcohol . It is also related to or classified as macrocycle . It is also related to or classified as indoles.
The molecule <smiles>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O</smiles> is an eleven-membered branched mannooligosaccharide consisting of nine D-mannosyl residues and two N-acetylglucosamine residues (one at the reducing end). It is also related to or classified as Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc . It is also related to or classified as glucosamine oligosaccharide.
The molecule <smiles>[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1CO)C(O)=O)[C@H](O)[C@H](O)CO</smiles> is A branched amino tetrasaccharide comprised of N-acetyl-alpha-neuraminyl, N-acetyl-beta-D-glucosaminyl and (at the reducing end) N-acetyl-beta-D-glucosamine residues all linked sequentially (1->4), with the reducing-end N-acetyl-beta-D-glucosamine residue carrying also an L-fucosyl residue via a (1->3) linkage. It is also related to or classified as glucosamine oligosaccharide, amino tetrasaccharide.
The molecule <smiles>CC(CO)C1=C2C(C)(C)[C@H]3CC[C@@]2(C3)C(C)(C)CC1</smiles> is 5-(1-hydroxypropan-2-yl)isolongifol-5-ene. It has the role of fragrance. It is also related to or classified as isolongifolane sesquiterpenoid.
The molecule <smiles>C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\\2[C@@]1(CCC/C2=C\\C=C/3\\C[C@H](CCC3=C)O)C</smiles> is a vitamin D supplement and has been isolated from alfalfa. It has a role as a nutraceutical, a bone density conservation agent, a rodenticide and a plant metabolite. It is a seco-ergostane, a hydroxy seco-steroid and a vitamin D.
The molecule <smiles>CC(C)CC(NC(=O)[C@@H](NC(=O)CC(C)C)[C@@H](C)O)C(=O)C1(CO)CO1</smiles> is an epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by an N-(isovaleroyl)threonylleucinyl group. It is a proteasome inhibitor isolated from Saccharothrix. It has the role of antimicrobial agent. It has the role of antineoplastic agent. It has the role of proteasome inhibitor. It has the role of bacterial metabolite. It is also related to or classified as primary alcohol . It is also related to or classified as ketone . It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as epoxide . It is also related to or classified as secondary alcohol .
The molecule <smiles>CC(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> is the N-acetyl derivative of L-phenylalanine. It has the role of metabolite. It is a conjugate acid of N-acetyl-L-phenylalaninate.  It is also related to or classified as N-acetylphenylalanine . It is also related to or classified as N-acyl-L-phenylalanine . It is also related to or classified as N-acetyl-L-amino acid.