mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>COc1cc(O)c(c(OC)c1CC=C(C)C)-c1coc2cc(O)ccc2c1=O</smiles> is A  hydroxyisoflavone which is isoflavone substituted by hydroxy groups at positions 7 and 6', methoxy groups at positions 2' and 4' and a prenyl group at position 3'. It has been isolated from Glycyrrhiza uralensis. It has the role of antibacterial agent. It has the role of plant metabolite. Its functional parent is isoflavone. It is also related to or classified as 4'-methoxyisoflavones . It is also related to or classified as hydroxyisoflavone.
The molecule <smiles>COc1cc2oc(cc(=O)c2c(O)c1C)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1</smiles> is A  biflavonoid that is a dimer resulting from the coupling of 7,4'-dimethoxy-5-hydroxy-6-methylflavone and 5,7,4'-trihydroxyflavone resulting in a bond between C-3' of the methoxyphenyl ring and C-8 of the chromene ring respectively. Isolated from Cephalotaxus wilsoniana, it exhibits cytotoxic activity. It has the role of metabolite. It has the role of antineoplastic agent. It is also related to or classified as hydroxyflavone, methoxyflavone, biflavonoid, biaryl.
The molecule <smiles>CC1(C)Oc2c(O)cc(cc2C=C1)-c1coc2cc(O)cc(O)c2c1=O</smiles> is A member of the class of 7-hydroxyisoflavones that is 2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one substituted by hydroxy groups at positions 5, 7 and 8'. It has been isolated from Glycyrrhiza uralensis. It has the role of EC 1.1.1.21 (aldehyde reductase) inhibitor. It has the role of plant metabolite. It is also related to or classified as 7-hydroxyisoflavones .
The molecule <smiles>[H][C@@]12CC(=O)O[C@@H](C)CCCC[C@@]1([H])C(=O)C=C[C@@H]2O</smiles> is A macrocyclic lactone isolated from the fermentation broth of the fungal culture Penicillium verrucosum and has been shown to exhibit inhibitory activity against bacterial DNA primase enzyme. It has the role of EC 2.7.7.6 (RNA polymerase) inhibitor. It has the role of Penicillium metabolite. It is also related to or classified as enone . It is also related to or classified as macrocyclic lactone.
The molecule <smiles>CC1(C)CCc2c(O)ccc(C3COc4cc(O)cc(O)c4C3=O)c2O1</smiles> is A member of the class of  7-hydroxyisoflavones that consists of 2,3,3',4'-tetrahydro-2'H,4H-3,8'-bichromen-4-one substituted by hydroxy groups at positions 5, 5' and 7 and methyl groups at positions 2' and 2'. It has been isolated from Glycyrrhiza uralensis. It has the role of plant metabolite. It is also related to or classified as 7-hydroxyisoflavones .
The molecule <smiles>[H][C@]12Cc3c(Cl)c4cc(C(C)CC)n(N)c(=O)c4c(O)c3-c3c(O)c4C(=O)[C@@]5([H])[C@@H](O)C=C[C@@H](OC)[C@@]5([H])Oc4c(OCO1)c23</smiles> is an organic heteroheptacyclic compound isolated from the fermentation culture broth of Actinoplanes sp. It is a broad-spectrum antifungal agent. It has the role of metabolite. It has the role of antifungal agent. It is also related to or classified as hydrazines . It is also related to or classified as lactam . 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 secondary alcohol . It is also related to or classified as organochlorine compound . It is also related to or classified as organic heteroheptacyclic compound, cyclic acetal.
The molecule <smiles>CC(C)=CCc1c(O)ccc(C2COc3cc(O)cc(O)c3C2=O)c1O</smiles> is A member of the class of 7-hydroxyisoflavones that is the 2,3-dihydro derivative of licoisoflavone A. It has been isolated from Glycyrrhiza uralensis. It has the role of antibacterial agent. It has the role of plant metabolite. Its functional parent is licoisoflavone A. It is also related to or classified as 7-hydroxyisoflavones .
The molecule <smiles>[H][C@@]12CC(C)(C)[C@@]1([H])CC\C(C)=C/C(=O)[C@@H](O)[C@H]2CO</smiles> is A sesquiterpenoid based on the caryophyllene ring system. Isolated from the fungal fermentation broth of Chrysosporium pilosum, it exhibits antifungal activity. It has the role of metabolite. It has the role of antifungal agent. It is also related to or classified as primary alcohol . It is also related to or classified as secondary alpha-hydroxy ketone .   It is also related to or classified as enone . It is also related to or classified as secondary alcohol . It is also related to or classified as sesquiterpenoid, carbobicyclic compound.
The molecule <smiles>COc1c2CCC(C)(C)Oc2cc2OC[C@@H]3[C@@H](Oc4cc(O)c(CCC(C)(C)O)cc34)c12</smiles> is A member of the class of pterocarpan that is a cis-pterocarpan substituted by a hydroxy group at position 9, a 3-hydroxy-3-methylbutyl group at position 8, a methoxy group at position 1 and a dimethylpyran ring fused across positions 2 and 3. It has been isolated from Glycyrrhiza uralensis. It has the role of plant metabolite. It is also related to or classified as pterocarpans . It is also related to or classified as phenols . It is also related to or classified as aromatic ether.
The molecule <smiles>COC(=O)[C@](C)(O)C[C@H]1NC(=O)\C(=C(/O)[C@@H]2[C@@H](C=C[C@@H]3C[C@H](C)C[C@H](C)[C@@H]23)C(\C)=C\C)C1=O</smiles> is A pyrrolidinone derivative that is the methyl ester of sch 210972. Isolated from fungal fermentation broth of Chaetomium globosum, it exhibits inhibitory activity against chemokine receptor CCR-5. It has the role of chemokine receptor 5 antagonist. It has the role of Chaetomium metabolite. Its functional parent is sch 210972.  It is also related to or classified as tertiary alcohol . It is also related to or classified as carboxylic ester . It is also related to or classified as enol . It is also related to or classified as pyrrolidin-2-ones . It is also related to or classified as octahydronaphthalenes, carbobicyclic compound.
The molecule <smiles>COc1c(CC=C(C)C)c(O)cc2OC[C@H](Cc12)c1ccc(O)cc1O</smiles> is A methoxyisoflavan that is (R)-isoflavan substituted by a methoxy group at position 5, hydroxy groups at positions 7, 2' and 4' and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis. It has the role of EC 1.14.18.1 (tyrosinase) inhibitor. It has the role of plant metabolite. It is also related to or classified as hydroxyisoflavans, methoxyisoflavan.
The molecule <smiles>C\C=C\CCCCC(=O)C(C)C(=O)N1CCC[C@@H]1CO</smiles> is A pyrrolidine alkaloid that is a monocarboxylic acid amide obtained by the formal condensation of (8E)-2-methyl-3-oxodec-8-enoic acid with (2R)-pyrrolidin-2-ylmethanol. Isolated from the the cultured broth of the fungus Penicillium citrinum, it exhibits anti-fungal and antibacterial activity. It has the role of antibacterial agent. It has the role of antifungal agent. It has the role of Penicillium metabolite. It is also related to or classified as primary alcohol .  It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as pyrrolidine alkaloid.
The molecule <smiles>COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1</smiles> is A member of the class of  hydroxyisoflavans that is isoflavan substituted by hydroxy groups at positions 7 and 2' and a methoxy group at position 4'. Isolated from Glycyrrhiza uralensis, it exhibits anti-inflammatory activity. It has the role of phytoalexin. It has the role of anti-inflammatory agent. It has the role of plant metabolite. It is also related to or classified as aromatic ether, hydroxyisoflavans, methoxyisoflavan.
The molecule <smiles>[H][C@@]12Cc3ccc(OC)c(O)c3-c3c(OC)c(O)cc(C(=O)C[N+]1(C)C)c23</smiles> is Saxicolaline A. It has the role of metabolite. It is also related to or classified as aporphine alkaloid.
The molecule <smiles>COc1c(CC=C(C)C)c(O)cc2oc(=O)c(cc12)-c1ccc(O)cc1O</smiles> is A member of the class of  coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 5, a prenyl group at position 6 and a 2,4-dihydroxyphenyl group at position 3.  Isolated from Glycyrrhiza uralensis, it exhibits antispasmodic activity. It has the role of antispasmodic drug. It has the role of plant metabolite. It is also related to or classified as coumarins, resorcinols, aromatic ether.
The molecule <smiles>[H][C@@]12C[C@@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])[C@@](C)(O)CC(C)C(C)C(C)C</smiles> is A 3beta-hydroxy steroid consisting of 23,24-dimethylcholest-16-ene substituted by hydroxy groups at positions 3, 5, 6 and 20 (the 3beta,5alpha,6beta,20S stereoisomer). Isolated from the soft coral Sarcophyton trocheliophorum, it exhibits cytotoxic activity against human cancer cells. It has the role of antineoplastic agent. It has the role of coral metabolite. It is also related to or classified as 3beta-hydroxy steroid . It is also related to or classified as 6beta-hydroxy steroid, 20-hydroxy steroid, 5alpha-hydroxy steroid.
The molecule <smiles>COc1cc2oc(=O)c(cc2c(OC)c1CC=C(C)C)-c1ccc(O)cc1O</smiles> is A member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5 and 7, a prenyl group at position 6 and a 2,4-dihydroxyphenyl group at position 3. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. It has the role of metabolite. It has the role of antibacterial agent. It has the role of plant metabolite. It is also related to or classified as coumarins, aromatic ether, hydroxyisoflavans.
The molecule <smiles>CC[C@H](C)C1=C(O)[N+]2([O-])Oc3ccc(cc3O[C@]2([C@@H](C)CC)C(=O)N1OC)-c1c(O)c(O)c(-c2ccc(O)cc2)c(OC(C)=O)c1OC(C)=O</smiles> is Sarcodonin-delta. It has the role of metabolite. It is also related to or classified as biphenyls.
The molecule <smiles>CC(C)=CCc1cc(c(O)cc1O)-c1coc2cc(O)cc(O)c2c1=O</smiles> is A  hydroxyisoflavone that is isoflavanone substituted by hydroxy groups at positions 5, 7, 2' and 4' and a prenyl group at position 5. It has been isolated from Glycyrrhiza uralensis. It has the role of plant metabolite. It is also related to or classified as hydroxyisoflavone.
The molecule <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](CO[C@@]2([H])O[C@H]2CC[C@]3(C)C4=C(CC[C@@]3([H])C2(C)C)[C@]2([H])CC[C@]([H])([C@H](C)CC(=O)CC(C)(C)O)[C@@]2(C)CC4)O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O</smiles> is A triterpenoid saponin isolated from the sponge Melophlus sarasinorum and has been shown to exhibit antimicrobial activity. It has the role of antimicrobial agent. It has the role of marine metabolite. It is also related to or classified as tetracyclic triterpenoid, amino pentasaccharide, triterpenoid saponin.
The molecule <smiles>COc1cc2OC[C@H](Cc2c(OC)c1CC=C(C)C)c1ccc(O)cc1O</smiles> is A member of the class of  hydroxyisoflavans that is  (R)-isoflavan substituted by hydroxy groups at positions 2' and 4', methoxy groups at positions 5 and 7 and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis. It has the role of plant metabolite. It is also related to or classified as aromatic ether, hydroxyisoflavans, methoxyisoflavan.
The molecule <smiles>COc1cc(O)ccc1C(=O)\C=C\c1ccc(O)c(O)c1</smiles> is A member of the class of chalcones that consists of trans-chalcone substituted by hydroxy groups at positions 3, 4 and 4' and a methoxy group at position 2'. Isolated from Caesalpinia sappan, it exhibits neuroprotective and cytoprotective activity. It has the role of antioxidant. It has the role of metabolite. It has the role of anti-allergic agent. It has the role of anti-inflammatory agent. Its functional parent is trans-chalcone. It is also related to or classified as chalcones .  It is also related to or classified as catechols . It is also related to or classified as monomethoxybenzene.
The molecule <smiles>COc1cc2OC[C@H](Cc2c(OC)c1CC=C(C)C)c1ccc(O)c(CC=C(C)C)c1O</smiles> is A member of the class of  hydroxyisoflavans that is the 7-O-methyl derivative of licoricidin. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. It has the role of antibacterial agent. It has the role of plant metabolite. Its functional parent is licoricidin. It is also related to or classified as aromatic ether, hydroxyisoflavans, methoxyisoflavan.
The molecule <smiles>COC(=O)C(Cc1ccccc1)NC(=O)CC(C)(O)CC(=O)O[C@H]1[C@H](O)C[C@@]2(C)[C@@H](CCC3=C2C[C@H](O)[C@]2(C)[C@H](CC[C@@]32C)[C@H]2CC[C@@H](O[C@@H]2O)C(C)(C)O)C1(C)C</smiles> is A  tetracyclic triterpenoid isolated from Tricholoma saponaceum. It has the role of plant metabolite. It is also related to or classified as secondary carboxamide . It is also related to or classified as methyl ester .   It is also related to or classified as triterpenoid . It is also related to or classified as tetracyclic triterpenoid, tetrol.
The molecule <smiles>COc1c(CC=C(C)C)c(O)cc2OC[C@H](Cc12)c1ccc(O)c(CC=C(C)C)c1O</smiles> is A member of the class of hydroxyisoflavans that is R-isoflavan with hydroxy groups at positions 7, 2' and 4', a methoxy group at position 5 and prenyl groups at positions 6 and 3'. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. It has the role of antibacterial agent. It has the role of plant metabolite. It is also related to or classified as aromatic ether, hydroxyisoflavans, methoxyisoflavan.
The molecule <smiles>[H][C@]1(O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]([H])(CC[C@]4(C)C3=CC[C@@]2([H])C1(C)C)[C@]1([H])C[C@H](O[C@H]1OC)C=C(C)C</smiles> is A triterpenoid saponin isolated from Sapindus mukorossi and has been shown to exhibit inhibitory activity against platelet aggregation. It has the role of platelet aggregation inhibitor. It has the role of plant metabolite. It is also related to or classified as oxolanes, triterpenoid saponin, trisaccharide derivative, tirucallane triterpenoid.
The molecule <smiles>COP(=O)(OC)C(O)C(Cl)(Cl)Cl</smiles> is A phosphonic ester that is dimethyl phosphonate in which the hydrogen atom attched to the phosphorous is substituted by a 2,2,2-trichloro-1-hydroxyethyl group. It has the role of insecticide. It has the role of agrochemical. It has the role of anthelminthic drug. It has the role of EC 3.1.1.8 (cholinesterase) inhibitor. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is also related to or classified as organochlorine compound . It is also related to or classified as organic phosphonate, phosphonic ester.
The molecule <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]([H])(CC[C@]4(C)C3=CC[C@@]2([H])C1(C)C)[C@]1([H])C[C@H](O[C@H]1OC)C=C(C)C</smiles> is A triterpenoid saponin isolated from  Sapindus mukorossi and has been shown to exhibit inhibitory activity against platelet aggregation. It has the role of platelet aggregation inhibitor. It has the role of plant metabolite. It is also related to or classified as oxolanes, triterpenoid saponin, disaccharide derivative, tirucallane triterpenoid.
The molecule <smiles>COC(=O)C(=C)[C@@H]1CC2=C(C)C(=O)O[C@@]2(O)C[C@@]1(C)C=C</smiles> is sericealactone, (rel)-. It has the role of metabolite. It is also related to or classified as terpene lactone.
The molecule <smiles>[H][C@@]12O[C@@]1(C)C[C@@H](O)[C@H](O)\C(C)=C/C[C@@H](C(C)C)[C@H]2O</smiles> is A germacrane sesquiterpenoid that is 4,5-epoxygermacra-9Z-ene substituted by hydroxy groups at positions 1, 2 and 6. Isolated from Santolina insularis, it exhibits cytotoxicity against human colon carcinoma cell line. It has the role of metabolite. It has the role of antineoplastic agent.  It is also related to or classified as epoxide . It is also related to or classified as triol, germacrane sesquiterpenoid.
The molecule <smiles>[H][C@]1(CC2=C(C)C(=O)OC2=C[C@@]1(C)C=C)C(=C)C(=O)OC</smiles> is hiiranlactone C. It has the role of metabolite. It is also related to or classified as benzofurans.
The molecule <smiles>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is the sophoroside derivative of 4-nitrophenol. It is also related to or classified as sophoroside .  It is also related to or classified as glycoside . It is also related to or classified as C-nitro compound.
The molecule <smiles>CC[C@H](C)/C=C/C1=CC2=C(C(=O)[C@@]3([C@H](C2=CO1)[C@@H](C(=O)O3)C(=O)[C@@H](C)[C@H](C)O)C)Cl</smiles> is an azaphilone that is 9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a 3-hydroxy-2-methylbutanoyl group at position 9, a methyl group at position 6a and a 3-methylpent-1-en-1yl group at position 3. It has been isolated from Chaetomium globosum. It has a role as a Chaetomium metabolite. It is a beta-hydroxy ketone, a gamma-lactone, an azaphilone, an enone, an organic heterotricyclic compound, an organochlorine compound and a secondary alcohol.
The molecule <smiles>CC(C)([C@@H](O)C([O-])=O)C([O-])=O</smiles> is dicarboxylate anion of (R)-3,3-dimethylmalic acid. It is also related to or classified as dicarboxylic acid dianion .
The molecule <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4</smiles> is N-[(3S,9S,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>COCC(=O)NC[C@@H]1[C@H]([C@H](N1C(=O)C2=CC=CC=C2)CO)C3=CC=CC=C3</smiles> is N-[[(2S,3R,4S)-1-benzoyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-methoxyacetamide. It is also related to or classified as benzenes, ring assembly, azetidines.
The molecule <smiles>C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O</smiles> is d-Glucopyranose with beta configuration at the anomeric centre. It has a role as an epitope and a mouse metabolite. It is an enantiomer of a beta-L-glucose.
The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A branched amino tetrasaccharide comprising N-acetyl-beta-D-glucosamine at the reducing end with a alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl moiety attached at the 4-position. It is also related to or classified as alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-D-GlcNAc .
The molecule <smiles>O=C(O[C@H]1[C@@H](O)[C@@H]2C=C[C@H]([C@@H](CC)C)[C@@]([C@H]2[C@@H](C1)C)(C(=O)CCO)C)/C=C(/CC(=O)OCCC(=O)[C@@]3([C@@H]4[C@@H](C=C[C@@H]3[C@@H](CC)C)[C@H](O)[C@H](OC(=O)/C=C(/CC(=O)OC)\C)C[C@H]4C)C)\C</smiles> is Tandyukisin F. Its functional parent is tetracarboxylic acid. It is also related to or classified as organooxygen compound.
The molecule <smiles>C=1(C=CC(=CC1Cl)Cl)\C(\OCCOC2=CC=C(C=C2)Cl)=C(\N3C=CN=C3)/C.[N+](O)(=O)[O-]</smiles> is Omoconazole nitrate. It is also related to or classified as organic nitrate salt, imidazole antifungal drug, conazole antifungal drug.
The molecule <smiles>C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F</smiles> is N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C=C(\\C)/CC/C=C(\\C)/CO)/C)/C)/C)C</smiles> is a carotenol that is carotenol psi,psi-carotene substituted by a hydroxy group. It derives from a hydride of a lycopene.
The molecule <smiles>[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])C1=CCc1cc(O)ccc21</smiles> is equilin. It is also related to or classified as 17-oxo steroid . It is also related to or classified as 3-hydroxy steroid.
The molecule <smiles>C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)[O-]</smiles> is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 4-aminoazobenzene-3,4'-disulfonic acid. It is a conjugate base of a 4-aminoazobenzene-3,4'-disulfonic acid.
The molecule <smiles>FC(F)(F)C1=NC=CC=C1C(=O)NC1CCC1C1=C(Cl)C=C(Cl)C=C1</smiles> is A member of the class of cyclobutanes that is cyclobutane substituted by [2-(trifluoromethyl)pyridine-3-carbonyl]amino and 2,4-dichlorophenyl groups at positions 1 and 2, respectively. It is also related to or classified as secondary carboxamide .  It is also related to or classified as dichlorobenzene .  It is also related to or classified as organofluorine compound . It is also related to or classified as cyclobutanes, pyridinecarboxamide.
The molecule <smiles>COC1=CC2=C(C=C1)C=C(C=C2)CC(=O)O</smiles> is a monocarboxylic acid consisting of 2-naphthylacetic acid having a methoxy substituent at the 6-position. The active metabolite of the prodrug nabumetone. It has a role as an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, a drug metabolite and a xenobiotic metabolite. It is a monocarboxylic acid and a methoxynaphthalene. It derives from a 2-naphthylacetic acid.
The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A branched amino tetrasaccharide comprising N-acetyl-alpha-D-galactosamine at the reducing end with an alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl moiety attached at the 3-position. It is also related to or classified as alpha-D-Galp-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-D-GalpNAc .
The molecule <smiles>CO[C@@H]1C[C@@H]2[N@]3CC[C@]2(C=C1)c1cc(O)c(OC)c(OC)c1C3</smiles> is an isoquinoline alkaloid that is 3,4,4a,5,6,10b-hexahydro-5,10b-ethanophenanthridin-9-ol bearing three additional methoxy substituents at positions 3, 7 and 8. It has the role of plant metabolite.  It is also related to or classified as phenols . It is also related to or classified as isoquinoline alkaloid, aromatic ether, organic heterotetracyclic compound.
The molecule <smiles>C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)O)O</smiles> is a nucleotide-sugar oxoanion resulting from the removal of two protons from the diphosphate group of UDP-beta-L-arabinofuranose. It is a conjugate base of an UDP-beta-L-arabinofuranose.
The molecule <smiles>C(CS(=O)(=O)O)S</smiles> is an organosulfonic acid consisting of sulfonic acid having a 2-mercaptoethyl group attached to sulfur. It has a role as a coenzyme. It is an organosulfonic acid and a thiol. It is a conjugate acid of a coenzyme M(1-).
The molecule <smiles>C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C</smiles> is N-[(5S,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
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](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)O[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO)C(O)=O)[C@H](O)[C@H](O)CO</smiles> is A branched amino tetrasaccharide consisting of the linear sequence beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-D-Glc having a Neu5Ac residue attached to the galactose via an alpha-(2->3) linkage. It is also related to or classified as galactosamine oligosaccharide, amino tetrasaccharide.
The molecule <smiles>C(C(CN=C(N)N)O)C(C(=O)O)N</smiles> is a hydroxyarginine in which the hydroxy group is located at position 4. It is a hydroxyarginine, a secondary alcohol, a non-proteinogenic alpha-amino acid and a member of guanidines.
The molecule <smiles>C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)O</smiles> is a 2',3'-cyclic pyrimidine nucleotide in which uridine is the parent nucleoside. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 2',3'-cyclic UMP(1-).
The molecule <smiles>C1=NNC2=C1C(=O)NC=N2</smiles> is a bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring. It has a role as a radical scavenger, a gout suppressant, an antimetabolite and an EC 1.17.3.2 (xanthine oxidase) inhibitor. It is an organic heterobicyclic compound and a nucleobase analogue. It derives from a hydride of a 1H-pyrazolo[4,3-d]pyrimidine.