mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>NCCP(O)(=O)OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](N)[C@H](O[C@@H]3CO)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@H]4OP(O)(=O)O[C@@H]34)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO[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](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](O)[C@@H]1O</smiles> is A myo-inositol cyclic phosphate that consists of 1D-myo-inositol 1,2-cyclic phosphate having an octasaccharide moiety made up from four alpha-galactosyl residues, three alpha-mannosyl residues and one alpha-glucosaminyl residue, which at the reducing end is attached at position 6 via a glycosidic linkage. Its functional parent is myo-inositol. It is also related to or classified as glycoside . It is also related to or classified as myo-inositol cyclic phosphate, carbohydrate derivative.
The molecule <smiles>[H][C@]1(O[C@@H](C)[C@@H](C)c2oc(=O)cc(OC)c12)O[C@@H]1O[C@@H](C)[C@@H](C)c2oc(=O)cc(OC)c12</smiles> is Inflatin D. It has the role of metabolite. It is also related to or classified as pyranopyranone, cyclic acetal.
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@H](O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 2,2'-dilyso cardiolipin in which both of the phosphatidyl acyl groups are specified as linoleoyl. It is also related to or classified as 2,2'-dilysocardiolipin .
The molecule <smiles>COc1cc(=O)oc2[C@H](C)[C@H](C)O[C@@H](O)c12</smiles> is Inflatin C. It has the role of metabolite. It is also related to or classified as pyranopyranone.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC</smiles> is A cardiolipin derivative in which all four of the phosphatidyl acyl groups are specified as stearoyl (octadecanoyl). It is also related to or classified as cardiolipin .
The molecule <smiles>[H][C@@]12CC[C@@]3([H])[C@]4(C)CO[C@@H](O[C@]4([H])CC[C@]3(C)[C@]11CC[C@](O)(COC(C)=O)[C@]([H])(C2)C1)c1ccc(O)cc1</smiles> is Inflatin B. It has the role of metabolite. It is also related to or classified as oxa-steroid.
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/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP([O-])(=O)OP([O-])(=O)O[C@H]1O[C@H](CO)[C@@H](O[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]([C@@H](O[C@@H]4O[C@@H]5COC(C)(O[C@H]5[C@H](O)[C@@H]4O)C([O-])=O)[C@H](O)[C@H]3O)C([O-])=O)[C@H]2O)[C@H](O)[C@H]1O</smiles> is an organophosphate oxoanion that is the tetra-anion of 4,6-Me(COOH)C-beta-D-Man-(1->4)-beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol arising from deprotonation of both free diphosphate OH groups and both of the carboxy groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>[H][C@@]12CC[C@@]3([H])[C@]4(C)CO[C@@H](O[C@]4([H])CC[C@]3(C)[C@]11CC[C@](O)(CO)[C@]([H])(C2)C1)c1ccc(O)cc1</smiles> is Inflatin A. It has the role of metabolite. It is also related to or classified as oxa-steroid.
The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2N)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is alpha-D-GalpN-(1->3)-[alpha-L-Fucp-(1->2)]-D-Galp in which the configuration of the anomeric carbon of the galactose residue at the reducing end is beta. It is also related to or classified as alpha-D-GalpN-(1->3)-[alpha-L-Fucp-(1->2)]-D-Galp .
The molecule <smiles>N[C@@H](Cc1ccc(OC(=O)c2c[nH]c3cc(Br)c(O)cc23)cc1)C(O)=O</smiles> is Herdmanine D. It has the role of metabolite. It is also related to or classified as indolyl carboxylic acid.
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/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP(O)(=O)OP(O)(=O)O[C@H]1O[C@H](CO)[C@@H](O[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]([C@@H](O[C@@H]4O[C@@H]5COC(C)(O[C@H]5[C@H](O)[C@@H]4O)C(O)=O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O</smiles> is an oligosaccharide phosphate that is beta-D-Man-(1->4)-beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol in which the terminal mannosyl group has been converted to its 4,6-O-1-carboxyethylidene derivative. Its functional parent is beta-D-Man-(1->4)-beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol. It is a conjugate acid of 4,6-Me(COOH)C-beta-D-Man-(1->4)-beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(4-). It is also related to or classified as polyprenyl phospho oligosaccharide.
The molecule <smiles>NC(=N)NCCC[C@@H](NC(=O)c1ccc(OC(=O)c2ccc(O)cc2)cc1)C(O)=O</smiles> is Herdmanine C. It has the role of metabolite. It is also related to or classified as carbonyl compound.
The molecule <smiles>CC(=C)[C@@H]1CC[C@@](C)(C=C)[C@@H](C1)C(C)=C</smiles> is the (-)-enantiomer of beta-elemene that has (1S,2S,4R)-configuration. It has the role of antineoplastic agent. It is also related to or classified as beta-elemene .
The molecule <smiles>NC(=N)NCCC[C@@H](NC(=O)c1ccc(OC(=O)c2c[nH]c3cc(O)ccc23)cc1)C(O)=O</smiles> is Herdmanine B. It has the role of metabolite. It is also related to or classified as N-acyl-D-amino acid . It is also related to or classified as guanidines, indoles, heteroarenecarboxylate ester, D-arginine derivative.
The molecule <smiles>[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])C[C@@H](OCC(=O)NCC(O)=O)c1cc(O)ccc21</smiles> is A steroid acid that consists of 17beta-estradiol bearing an N-(carboxymethylamino)carbonylmethoxy at the 6beta-position. Its functional parent is 17beta-estradiol. It is also related to or classified as monocarboxylic acid, steroid acid.
The molecule <smiles>NC(=N)NCCC[C@@H](NC(=O)c1ccc(OC(=O)c2c[nH]c3ccccc23)cc1)C(O)=O</smiles> is Herdmanine A. It has the role of metabolite. It is also related to or classified as N-acyl-D-amino acid . It is also related to or classified as guanidines, indoles, heteroarenecarboxylate ester, D-arginine derivative.
The molecule <smiles>[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])C1=CCc1cc(O)ccc21</smiles> is A 3-hydroxy steroid that is obtained by formal dehydrogenation across positions 7 and 8 of 17beta-estradiol. It has the role of metabolite. Its functional parent is androstane. It is also related to or classified as 17beta-hydroxy steroid . It is also related to or classified as 3-hydroxy steroid.
The molecule <smiles>COc1cc(\C=C/C(C)=C/C(C)=C/c2ccccc2)oc(=O)c1</smiles> is A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1Z,3E,5E stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger. It has the role of metabolite. It has the role of Aspergillus metabolite. It is also related to or classified as 2-pyranones.
The molecule <smiles>[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])C=Cc1cc(O)ccc21</smiles> is A 3-hydroxy steroid that is obtained by formal dehydrogenation across positions 6 and 7 of 17beta-estradiol. It is also related to or classified as 17beta-hydroxy steroid . It is also related to or classified as 3-hydroxy steroid.
The molecule <smiles>COc1cc(\C=C\C(C)=C/C(C)=C/c2ccccc2)oc(=O)c1</smiles> is A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1E,3Z,5E stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger. It has the role of Aspergillus metabolite. It is also related to or classified as 2-pyranones.
The molecule <smiles>[H][C@]12CC[C@]3(C)C=CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21</smiles> is A 3-hydroxy steroid that is obtained by formal dehydration at the 17-position of estradiol. It is also related to or classified as 3-hydroxy steroid.
The molecule <smiles>COc1cc(\C=C\C(C)=C\C(C)=C/c2ccccc2)oc(=O)c1</smiles> is A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1E,3E,5Z stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger. It has the role of Aspergillus metabolite. It is also related to or classified as 2-pyranones.
The molecule <smiles>[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])[C@@H](O)C[C@]1(C)[C@@H](O)CC[C@@]21[H]</smiles> is A 4-hydroxy steroid that consists of 17beta-estradiol bearing an additional 11beta-hydroxy substituent. Its functional parent is 17beta-estradiol. It is also related to or classified as 11beta-hydroxy steroid .
The molecule <smiles>COc1cc(\C=C\C(C)=C\C(C)=C\c2ccccc2)oc(=O)c1C</smiles> is A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4,a methyl group at position 3 and a 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1E,3E,5E stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger. It has the role of Aspergillus metabolite. It is also related to or classified as 2-pyranones.
The molecule <smiles>[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])C[C@H](O)c1cc(O)ccc21</smiles> is A 4-hydroxy steroid that consists of 17beta-estradiol bearing an additional 6alpha-hydroxy substituent. Its functional parent is 17beta-estradiol. It is also related to or classified as 6alpha-hydroxy steroid.
The molecule <smiles>COc1cc(\C=C\C(C)=C\C(C)=C\c2ccccc2)oc(=O)c1</smiles> is A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1E,3E,5E stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger. It has the role of Aspergillus metabolite. It is also related to or classified as 2-pyranones.
The molecule <smiles>Cl[Be]Cl</smiles> is A compound of beryllium (+2 oxidation state) and chloride in the ratio 1:2. It has the role of genotoxin. It has the role of carcinogenic agent. It is also related to or classified as beryllium molecular entity, inorganic chloride.
The molecule <smiles>COc1cc(\C=C\C(C)=O)oc(=O)c1C</smiles> is A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 3-oxobut-1-en-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger. It has the role of antineoplastic agent. It has the role of Aspergillus metabolite. It is also related to or classified as methyl ketone, 2-pyranones.
The molecule <smiles>[Be]=O</smiles> is A beryllium molecular entity consisting of beryllium (+2 oxidation state) and oxide in the ratio 1:1. In the solid state, BeO adopts the hexagonal wurtzite structure form while in the vapour phase, it is present as discrete diatomic covalent molecules. It has the role of carcinogenic agent. It is also related to or classified as metal oxide, beryllium molecular entity.
The molecule <smiles>COc1cc(\C=C\C(C)=C\C(C)=O)oc(=O)c1C</smiles> is A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 3-methyl-5-oxohexa-1,3-dien-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger. It has the role of antineoplastic agent. It has the role of Aspergillus metabolite. It is also related to or classified as methyl ketone, 2-pyranones.
The molecule <smiles>CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](COC(=O)[C@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)[C@@H](N)CS)[C@@H](C)O</smiles> is A heterodetic cyclic peptide comprising a cyclopentapeptide made up from L-seryl, L-tyrosyl, L-phenylalanyl, L-isoleucyl and L-methoionyl residues and cyclised by formation of an ester bond between the carboxy group of the methionyl residue and the side-chain hydroxy group of the seryl residue. In addition, the exocyclic amino group is acylated by an L-cysteinylamino)ethoxy]ethoxy}acetyl)-L-tyrosyl-L-seryl-L-threonyl group. It has the role of hapten. It is also related to or classified as heterodetic cyclic peptide.
The molecule <smiles>COc1cc(\C=C\C(C)=C\C(C)=O)oc(=O)c1</smiles> is A member of the class of  2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3-methyl-5-oxohexa-1,3-dien-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger. It has the role of Aspergillus metabolite. It is also related to or classified as methyl ketone, 2-pyranones.
The molecule <smiles>CCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate having lauroyl (dodecanoyl) as the 1-O-acyl group. It is a conjugate acid of 1-lauroyl-sn-glycerol 3-phosphate(2-). It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate . It is also related to or classified as dodecanoate ester .
The molecule <smiles>COc1cc(oc(=O)c1C)-c1cc(C)cc(C)c1-c1ccccc1</smiles> is A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 4,6-dimethylbiphenyl-2-yl group at position 6. It has been isolated from an endophytic fungus, Aspergillus niger. It has the role of antineoplastic agent. It has the role of Aspergillus metabolite. It is also related to or classified as ring assembly, 2-pyranones.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H]1COP(O)(=O)O1</smiles> is A 1-acyl-sn-glycerol 2,3-cyclic phosphate having oleoyl as the 1-O-acyl group. It is also related to or classified as 1-acyl-sn-glycerol 2,3-cyclic phosphate .
The molecule <smiles>COc1cc(oc(=O)c1)-c1cc(C)cc(C)c1-c1ccccc1</smiles> is A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 4,6-dimethylbiphenyl-2-yl group at position 6. It has been isolated from an endophytic fungus, Aspergillus niger. It has the role of Aspergillus metabolite. It is also related to or classified as ring assembly, 2-pyranones.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate having oleoyl as the 1-O-acyl group. It is a conjugate acid of 1-oleoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate .
The molecule <smiles>C\C=C\c1ccc2oc(c(C)c2c1)-c1ccc(O)cc1</smiles> is A member of the class of benzofurans that is 1-benzofuran substituted by a 4-hydroxyphenyl group at position 2, a methyl group at position 3 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. It has the role of anti-inflammatory agent. It has the role of NF-kappaB inhibitor. It has the role of plant metabolite. It is also related to or classified as phenols . It is also related to or classified as benzofurans.
The molecule <smiles>COc1ccc(-c2cc3cc(\C=C\C)ccc3o2)c(O)c1</smiles> is A member of the class of benzofurans that is 1-benzofuran substituted by a 2-hydroxy-4-methoxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. It has the role of anti-inflammatory agent. It has the role of NF-kappaB inhibitor. It has the role of plant metabolite.  It is also related to or classified as phenols . It is also related to or classified as monomethoxybenzene, benzofurans.
The molecule <smiles>O[C@H](COC(=O)CCCCCCCCCCCCCCCCCS)COP(O)(O)=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate having 18-mercaptooctadecanoyl as the 1-O-acyl group. It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate . It is also related to or classified as thiol .
The molecule <smiles>COc1cc(O)ccc1-c1cc2cc(\C=C\C)ccc2o1</smiles> is A member of the class of benzofurans that is 1-benzofuran substituted by a 2-methoxy-4-hydroxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. It has the role of anti-inflammatory agent. It has the role of NF-kappaB inhibitor. It has the role of plant metabolite.  It is also related to or classified as phenols . It is also related to or classified as monomethoxybenzene, benzofurans.
The molecule <smiles>O(C[C@H](COP(=O)(O)O)O)C(=O)CCCCCCC/C=C\C/C=C\CCCCC</smiles> is A 1-acyl-sn-glycerol 3-phosphate having linoleyl (9Z,12Z-octadecadienoyl) as the 1-O-acyl group. It is a conjugate acid of 1-linoleoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate .
The molecule <smiles>C\C=C\c1ccc2oc(cc2c1)-c1ccc(O)cc1</smiles> is A member of the class of benzofurans that is 1-benzofuran substituted by a 4-hydroxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. It has the role of anti-inflammatory agent. It has the role of NF-kappaB inhibitor. It has the role of plant metabolite. It is also related to or classified as phenols . It is also related to or classified as benzofurans.
The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate having myristoyl (tetradecanoyl) as the 1-O-acyl group. It is a conjugate acid of 1-myristoyl-sn-glycerol 3-phosphate(2-). It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>C\C=C\c1ccc2O[C@@H]([C@@H](C)c2c1)c1ccc(O)cc1</smiles> is A member of the class of benzofurans that is 2,3-dihydro-1-benzofuran substituted by a methyl group at position 3, a prop-1-en-1-yl group at position 5 and a 4-hydroxyphenyl group at position 2. It is a lignan derivative isolated from the roots of Krameria lappacea. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. It has the role of anti-inflammatory agent. It has the role of NF-kappaB inhibitor. It has the role of plant metabolite. It is also related to or classified as phenols . It is also related to or classified as benzofurans.
The molecule <smiles>C\C=C\c1ccc2oc(cc2c1)-c1ccc(O)cc1O</smiles> is A member of the class of benzofurans that is 1-benzofuran substituted by a 2,4-dihydroxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. It has the role of anti-inflammatory agent. It has the role of NF-kappaB inhibitor. It has the role of plant metabolite. It is also related to or classified as resorcinols, benzofurans.
The molecule <smiles>Cc1c(C)c(=O)n2n1c(C)c(C)c2=O</smiles> is A pyrazolopyrazole that consists of 1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione bearing four methyl substituents at positions 2, 3, 5 and 6. It is also related to or classified as pyrazolopyrazole.
The molecule <smiles>C([C@H](OC)[C@@H](C)/C=C(\C)/C=C/[C@@]1(NC([C@H](CCCNC(=N)N)NC([C@H]([C@H](C(O)=O)NC([C@H](CC(C)C)NC([C@@H](C)NC(C(N(C(CC[C@@H](NC([C@H]1C)=O)C(O)=O)=O)C)=C)=O)=O)=O)C)=O)=O)[H])C=2C=CC=CC2</smiles> is A microcystin consisting of D-alanyl, L-leucyl, (3S)-3-methyl-D-beta-aspartyl,L-arginyl, 2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl, D-gamma-glutamyl, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. Produced by the cyanobacterium Microcystis aeruginosa, it is the most studied of the microcystins. It has the role of xenobiotic. It has the role of EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor. It has the role of bacterial metabolite. It has the role of environmental contaminant. It is also related to or classified as microcystin.
The molecule <smiles>Cc1c(CBr)n2c(CBr)c(C)c(=O)n2c1=O</smiles> is A pyrazolopyrazole that consists of 1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione bearing two methyl substituents at positions 2 and 6 as well as two bromomethyl substituents at positions 3 and 5. It has the role of fluorochrome. It is also related to or classified as organobromine compound . It is also related to or classified as pyrazolopyrazole.
The molecule <smiles>COc1ccc(-c2cc3cc(CCCO)ccc3o2)c(O)c1</smiles> is A member of the class of  benzofurans that is 1-benzofuran substituted by a 2-hydroxy-4-methoxyphenyl group at position 2 and a 3-hydroxypropyl group at position 5. It is a lignan derivative isolated from the roots of  Krameria lappacea. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. It has the role of anti-inflammatory agent. It has the role of NF-kappaB inhibitor. It has the role of plant metabolite. It is also related to or classified as primary alcohol .  It is also related to or classified as phenols . It is also related to or classified as monomethoxybenzene, benzofurans.
The molecule <smiles>Cc1c(C)c(=O)n2n1c(CBr)c(C)c2=O</smiles> is A pyrazolopyrazole that consists of 1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione bearing three methyl substituents at positions 2, 5 and 6 as well as a bromomethyl substituent at the 3-position. It has the role of fluorochrome. It is also related to or classified as organobromine compound . It is also related to or classified as pyrazolopyrazole.
The molecule <smiles>C\C=C\c1ccc2O[C@@H]([C@H](CO)c2c1)c1ccc(O)cc1</smiles> is A member of the class of  benzofurans that is 2,3-dihydro-1-benzofuran substituted by a hydroxymethyl group at position 3, a prop-1-en-1-yl group at position 5 and a 4-hydroxyphenyl group at position 2. It is a lignan derivative isolated from the roots of Krameria lappacea. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. It has the role of anti-inflammatory agent. It has the role of NF-kappaB inhibitor. It has the role of plant metabolite. It is also related to or classified as primary alcohol . It is also related to or classified as phenols . It is also related to or classified as benzofurans.
The molecule <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H](CO)OC(CO)CO</smiles> is A triol obtained by sequential periodate-oxidation and borohydride-reduction of guanosine. It is also related to or classified as 2-aminopurines . It is also related to or classified as oxopurine, triol.
The molecule <smiles>C[C@H]1[C@@H](C)[C@@H](O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1</smiles> is A lignan that consists of a 3,4-dimethyloxolane ring substituted by 4-hydroxyphenyl groups at positions 2 and 5 respectively (the 2R,3R,4S,5S-stereoisomer). Isolated from the roots of Krameria lappacea, it exhibits anti-inflammatory activity. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. It has the role of anti-inflammatory agent. It has the role of NF-kappaB inhibitor. It has the role of plant metabolite. It is also related to or classified as lignan .  It is also related to or classified as phenols . It is also related to or classified as oxolanes.
The molecule <smiles>[O-][N+](=O)c1ccc(CBr)cc1</smiles> is A C-nitro compound that consists of nitrobenzene bearing a bromomethyl substituent at the para-position. It has the role of sensitiser. It has the role of allergen. It is also related to or classified as C-nitro compound, benzyl bromides.