mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>Cc1c(Cl)c(O)c(C=O)c2Oc3cc4OC(C)(C)CC(=O)c4c(C)c3OC(=O)c12</smiles> is A  member of the class of depsidones that is  3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepine substituted by a chloro group at position 9, a hydroxy group at position 10, methyl groups at positions 2, 2, 5 and 8, a formyl group at position 11 and oxo groups at positions 4 and 7. Isolated from Chaetomium brasiliense it exhibits antimalarial and cytotoxic activities. It has the role of antineoplastic agent. It has the role of antimalarial. It has the role of Chaetomium 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 organochlorine compound . It is also related to or classified as organic heterotetracyclic compound, depsidones.
The molecule <smiles>[H][C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]1(O)C(=O)[C@@]1(C)OC(C)(C)[C@@]3([H])C=C[C@@H](OC(C)=O)[C@@](COC(C)=O)([C@@H]2OC(C)=O)[C@]13[H]</smiles> is A tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against prolyl endopeptidase (EC 3.4.21.26). It has the role of metabolite. It has the role of EC 3.4.21.26 (prolyl oligopeptidase) inhibitor. It is also related to or classified as tertiary alpha-hydroxy ketone .    It is also related to or classified as acetate ester . It is also related to or classified as benzoate ester, cyclic ether, cyclic ketone, tetracyclic diterpenoid.
The molecule <smiles>C[C@H](CC1=CC=C(C=C1)OC)[NH2+]C[C@@H](C2=CC(=C(C=C2)O)NC=O)O</smiles> is an ammonium ion resulting from the protonation of the non-formylated amino group of arformoterol. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of an arformoterol. It is an enantiomer of a (S,S)-formoterol(1+).
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCCCC)O)O</smiles> is a ceramide that is the N-hexacosanoyl derivative of C20 phytosphingosine. It is a C20 phytoceramide and a N-(very-long-chain fatty acyl)-sphingoid base.
The molecule <smiles>COc1cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c(C)c1C(=O)C=C(C)C</smiles> is A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a hydroxy group at position 3, a methoxy group at position 7, methyl groups at positions 1 and 9, a 3-methylbut-2-enoyl group at position 8, a formyl group at position 4 and an oxo group at position 11. Isolated from Chaetomium brasiliense, it exhibits antimalarial and cytotoxic activities. It has the role of antineoplastic agent. It has the role of antimalarial. It has the role of Chaetomium 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 enone . It is also related to or classified as organic heterotricyclic compound, aromatic ether, depsidones, aromatic ketone.
The molecule <smiles>CC(=O)N1[C@H]([C@H]([C@@H]1CO)C2=CC=CC=C2)CN(C)S(=O)(=O)C3=CC=CC=C3</smiles> is N-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide. It is also related to or classified as benzenes, ring assembly, azetidines.
The molecule <smiles>[C]#N</smiles> is cyanyl. Its functional parent is hydrogen cyanide. It is also related to or classified as organic radical.
The molecule <smiles>C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3</smiles> is 4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>[H][C@]12[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)[C@]1(O)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]3([H])[C@]1(C)O)[C@@H]2OC(=O)c1cccnc1</smiles> is A tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against urease. It has the role of metabolite. It has the role of EC 3.5.1.5 (urease) inhibitor. Its functional parent is nicotinic acid.   It is also related to or classified as lactol . It is also related to or classified as acetate ester . It is also related to or classified as bridged compound, cyclic ether, tetracyclic diterpenoid.
The molecule <smiles>CC1=C[C@@H]2[C@H](CCC(=C2CC1)C)C(C)C</smiles> is a member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (the 1R,8aS-enantiomer). It is a cadinene and a delta-cadinene. It is an enantiomer of a (+)-delta-cadinene.
The molecule <smiles>C1C[C@@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5.Cl</smiles> is a hydrochloride obtained by combining palonosetron with one molar equivalent of hydrogen chloride; an antiemetic used in combination with netupitant (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy. It has a role as an antiemetic and a serotonergic antagonist. It contains a palonosetron(1+).
The molecule <smiles>CCCN(C)C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H](CCCCO1)C)[C@@H](C)CO)C</smiles> is N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>CC(C)=CC(=O)c1c(O)cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C</smiles> is A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at positions 3 and 7, methyl groups at positions 1 and 9, a 3-methylbut-2-enoyl group at position 8, a formyl group at position 4 and an oxo group at position 11. Isolated from Chaetomium brasiliense, it exhibits antimalarial, antimycobacterial and cytotoxic activities. It has the role of antineoplastic agent. It has the role of antimalarial. It has the role of antimycobacterial drug. It has the role of Chaetomium metabolite. It is also related to or classified as aldehyde .   It is also related to or classified as enone . It is also related to or classified as polyphenol, organic heterotricyclic compound, depsidones, aromatic ketone.
The molecule <smiles>C1COCCC1CN2[C@@H]([C@H](C23CN(C3)S(=O)(=O)CC4=CC=CC=C4)C5=CC=CC=C5)CO</smiles> is [(2S,3R)-1-(4-oxanylmethyl)-3-phenyl-6-(phenylmethyl)sulfonyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol. It is also related to or classified as benzenes, ring assembly, azetidines.
The molecule <smiles>C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O</smiles> is a glycosyloxyflavone that is 6-hydroxyluteolin attached to a beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. Isolated from Globularia cordifolia and Globularia alypum, it exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It is a disaccharide derivative, a tetrahydroxyflavone and a glycosyloxyflavone. It derives from a luteolin.
The molecule <smiles>[H][C@]12[C@@H](OC(=O)CCC)[C@@H](C)C[C@]1(OC(C)=O)[C@]1(O)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]3([H])[C@]1(C)O)[C@@H]2OC(=O)c1ccccc1</smiles> is A tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against prolyl endopeptidase (EC 3.4.21.26). It has the role of metabolite. It has the role of EC 3.4.21.26 (prolyl oligopeptidase) inhibitor.    It is also related to or classified as lactol . It is also related to or classified as acetate ester . It is also related to or classified as butyrate ester . It is also related to or classified as bridged compound, benzoate ester, cyclic ether, tetracyclic diterpenoid.
The molecule <smiles>C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O</smiles> is a member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis. It has a role as a P450 inhibitor, an environmental contaminant and a xenobiotic. It is a difluorobenzene, a conazole antifungal drug, a triazole antifungal drug and a tertiary alcohol. It derives from a 1,3-difluorobenzene. It derives from a hydride of a 1H-1,2,4-triazole.
The molecule <smiles>C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O)O)O</smiles> is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#14. It derives from an oscr#14. It is a conjugate acid of an oscr#14-CoA(4-).
The molecule <smiles>CC(C)=CCc1c(O)cc2Oc3c(C=O)c(O)c(Cl)c(C)c3C(=O)Oc2c1C</smiles> is A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a chloro group at position 2, hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense it exhibits cytotoxic activity. It has the role of antineoplastic agent. It has the role of antimalarial. It is also related to or classified as aldehyde .   It is also related to or classified as organochlorine compound . It is also related to or classified as polyphenol, organic heterotricyclic compound, depsidones.
The molecule <smiles>[H][C@@]12C[C@@H](O)\C(C)=C\[C@@]3([H])OC(=O)C(=C)[C@]3([H])[C@@H](C[C@@]1(C)O2)OC(=O)C(\C)=C\C</smiles> is A sesquiterpene lactone that is a 3alpha-hydroxy epimer of heliangin. Isolated from Eupatorium kiirunense, it exhibits cytotoxicity against human oral epidermoid (KB), cervical epitheloid (Hela) and liver (hepa59T/VGH) carcinoma cells. It has the role of metabolite. It has the role of antineoplastic agent. Its functional parent is tiglic acid. It is also related to or classified as epoxide .  It is also related to or classified as enoate ester . It is also related to or classified as sesquiterpene 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-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N</smiles> is tetraanion of P(1),P(4)-bis(5'-adenosyl) tetraphosphate arising from deprotonation of the tetraphosphate OH groups; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a P(1),P(4)-bis(5'-adenosyl) tetraphosphate.
The molecule <smiles>CC(=O)[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C(=O)OC</smiles> is an alkaloid, an organic heteropentacyclic compound and a methyl ester. It has a role as a metabolite.
The molecule <smiles>C=1C(=CC(=C2C1C(=C3C(=C2O)C(C[C@@H](C3)O)=O)O)O)C</smiles> is A member of the class of anthracenones that is 3,4-dihydroanthracen-1(2H)-one substituted by a methyl group at position 6 and by hydroxy groups at positions 3R, 8, 9 and 10, respectively.  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 anthracenone.
The molecule <smiles>CC(C)=CCc1c(O)cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C</smiles> is A member of the class of  depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from  Chaetomium brasiliense it exhibits cytotoxic activity. It has the role of antineoplastic agent. It has the role of Chaetomium metabolite. It is also related to or classified as aldehyde . It is also related to or classified as polyphenol, organic heterotricyclic compound, depsidones.
The molecule <smiles>ClC([C@H](O)CC1=CC=2NC=3[C@@]4([C@@]5([C@](O)([C@@]67O[C@@H]6[C@@H]8O[C@H]([C@H]9OC9(C)C)OC([C@H]8O[C@H]7CC5)(C)C)CC[C@H]4CC3C2C=C1)C)C)(C)C</smiles> is Tolypocladin J. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)C(=O)[C@H]2O)[C@@H](O)[C@@H]1O</smiles> is A glycosyl glycoside which is an intermediate in the breakdown of sucrose. The structure is that of sucrose in which the glucosyl 3-hydroxy group has been reduced to a keto group. It is also related to or classified as glycosyl glycoside, keto-disaccharide.
The molecule <smiles>C1=CC=C2C(=C1)[C@]34CCN5CC6=CCO[C@]7(CC(N2[C@]4([C@]7([C@]6(C[C@@]35[H])[H])[H])[H])=O)[H].C1=CC=C2C(=C1)[C@]34CCN5CC6=CCO[C@]7(CC(N2[C@]4([C@]7([C@]6(C[C@@]35[H])[H])[H])[H])=O)[H].OS(O)(=O)=O</smiles> is strychnine sulfate. It has the role of poison. Its functional parent is strychnine. It is also related to or classified as organic molecular entity.
The molecule <smiles>[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C[C@@](C)(O)\C=C\C(=O)\C(C)=C/2)OC(=O)C(\C)=C\C</smiles> is A sesquiterpene lactone of the heliangolide group isolated from Eupatorium kiirunense and exhibits cytotoxicity against human oral epidermoid (KB), cervical epitheloid (Hela) and liver (hepa59T/VGH) carcinoma cells. It has the role of metabolite. It has the role of antineoplastic agent. Its functional parent is tiglic acid.  It is also related to or classified as enone . It is also related to or classified as enoate ester . It is also related to or classified as sesquiterpene lactone.
The molecule <smiles>C(=O)([O-])[O-].[Fe+2]</smiles> is a carbonate salt in which the counter-ion is iron in the +2 oxidation state. It is a carbonate salt, a one-carbon compound, an iron molecular entity and a carbonate mineral.
The molecule <smiles>C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C=O)(C)C(=O)O</smiles> is a C20-gibberellin obtained by selective reduction of the 10beta-carboxy group of gibberellin A53. It is a C20-gibberellin and a gibberellin monocarboxylic acid. It derives from a gibberellin A53.
The molecule <smiles>CN(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@H]2CO)C(=O)C4CC4</smiles> is cyclopropyl-[(8R,9R,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone. It is also related to or classified as benzenes, ring assembly, azetidines.
The molecule <smiles>Cc1c(Cl)c(O)c(C=O)c2Oc3c(C)c4C(=O)CC(C)(C)Oc4c(O)c3OC(=O)c12</smiles> is A member of the class of depsidones that is 3,4-dihydro-H,11H-chromeno[6,7-b][1,4]benzodioxepine substituted by a chloro group at position 9, hydroxy groups at positions 8 and 13, methyl groups at positions 2, 2, 5 and 10, oxo groups at positions 4 and 11 and a formyl group at position 7. Isolated from Chaetomium brasiliense, it exhibits cytotoxic activity. It has the role of antineoplastic agent. It has the role of Chaetomium metabolite. It is also related to or classified as aldehyde .  It is also related to or classified as organochlorine compound . It is also related to or classified as polyphenol, organic heterotetracyclic compound, depsidones.
The molecule <smiles>O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@@H]([C@H](OC)[C@@H]([C@H]4O)OC)C)=C(C3C)C(=O)OC)C=C2C(=O)[C@@]5([C@@]1(OC)C(=O)C=C(OC)[C@H]5O)O</smiles> is Elloramycin D. It is also related to or classified as quinone . It is also related to or classified as tetracenes.
The molecule <smiles>O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@]3(O[C@@]([C@@H]([C@H](C3)O)NC(C)=O)([H])[C@@H]([C@@H](CO)O)O)C(O)=O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(C)=O)O)O)O)OCCCN)NC(C)=O</smiles> is A branched amino hexasaccharide consisting of a D-glucosyl residue beta-linked to a 3-aminopropyl group and which carries an N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-glucosyl unit linked (1->6) and an N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl unit linked (1->4). Its conjugation to the carrier protein CRM197 elicits an immune response to type III Group B Streptococcus (GBSIII) indicating that it may suffice as a synthetic vaccine antigen. Its functional parent is beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)]-beta-D-GlcpNAc. It is also related to or classified as glycoside . It is also related to or classified as amino hexasaccharide.
The molecule <smiles>[H][C@]12[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccoc3)[C@]3(COC(C)=O)[C@H](CC[C@](C)(O)[C@@]3(OC1(C)C)[C@@H]2OC(=O)C(C)CC)OC(=O)C(C)CC</smiles> is A dihydroagarofuran sesquiterpenoid that is beta-dihydroagarofuran substituted by methylbutanoyloxy groups at positions 1 and 6, a hydroxy group at position 4, a benzoyloxy group at position 8, a furancarbonyloxy group at positon 9 and an acetyloxy group at position 13. Isolated from Euonymus nanoides, it exhibits cytotoxic activity. It has the role of metabolite. It has the role of antineoplastic agent. Its functional parent is 3-furoic acid. Its functional parent is 2-methylbutyric acid.    It is also related to or classified as acetate ester . It is also related to or classified as bridged compound, benzoate ester, cyclic ether, dihydroagarofuran sesquiterpenoid.
The molecule <smiles>C(CC(=O)O)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O</smiles> is a dipeptide that is Glu-Glu in which one of the amino terminal hydrogens is replaced by a beta-citryl group. It derives from a citric acid and a Glu-Glu.
The molecule <smiles>C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N</smiles> is a dipeptide formed from L-phenylalanine and L-aspartic acid residues. It has a role as a metabolite. It derives from a L-phenylalanine and a L-aspartic acid.
The molecule <smiles>[H]C(CSC)=NO</smiles> is an aliphatic aldoxime resulting from the formal condensation of 2-(methylsulfanyl)acetaldehyde with hydroxylamine. Its functional parent is (methylsulfanyl)acetaldehyde. It is also related to or classified as aliphatic aldoxime . It is also related to or classified as methyl sulfide .
The molecule <smiles>CC1CC(=O)c2c(O1)cc1c(c(O)cc(O)c1c2O)-c1c(O)cc(O)c2c(O)c3C(=O)[C@H](C)[C@@H](C)Oc3cc12</smiles> is A biaryl that is 2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione substituted by hydroxy groups at positions 5, 5', 6, 6', 8 and 8' and methyl groups at positions 2, 2' and 3 (the 2R,3R stereoisomer). It has been isolated from Chaetomium gracile. It has the role of Chaetomium metabolite. It is also related to or classified as phenols . It is also related to or classified as biaryl, benzochromenone.
The molecule <smiles>CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)NCCOP(=O)([O-])OC[C@@H](CO)O</smiles> is an N-acyl-sn-glycero-3-phosphoethanolamine(1-) in which the N-acyl group is specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl; major species at pH 7.3. It is a conjugate base of a N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphoethanolamine.
The molecule <smiles>C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)O</smiles> is a dpeptide obtained by formal condensation of the carboxy group of L-pyroglutamine with the amino group of L-glutamine It has a role as a human metabolite. It is a conjugate acid of a pyroglutamylglutaminate.
The molecule <smiles>CC(=O)[C@@H]1CCC(=C)C(=O)CC\C(C)=C\[C@@H]1OC(=O)\C=C\C(C)(C)O</smiles> is A sesquiterpenoid that is a carboxylic ester obtained by the formal condensation of the 6-hydroxy group of cyclodec-4-en-1-one which is also substituted by an acetyl, a methyl and a methylidene group at positions 7, 4 and 10 respectively with the carboxy group of pent-2-enoic acid substituted with a hydroxy and a methyl group at position 4. It is an antiplasmodial drug isolated from a Caribbean gorgonian coral Eunicea sp. It has the role of metabolite. It has the role of antiplasmodial drug.  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 sesquiterpenoid, cyclic ketone.
The molecule <smiles>CCCCCC(C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O)O</smiles> is a tetrahydroxyanthraquinone that is 1,3,6,8-tetrahydroxy-9,10-anthraquinone bearing a 1-hydroxyhexyl substituent at position 2. It has a role as a fungal metabolite. It is a polyketide and a tetrahydroxyanthraquinone.
The molecule <smiles>C/C/1=C\\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C</smiles> is a beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has S configuration while the remaining stereocentre has R configuration. It is the most commonly occurring form of beta-caryophyllene, occurring in many essential oils, particularly oil of cloves. It has a role as a non-steroidal anti-inflammatory drug, a fragrance, a metabolite and an insect attractant. It is an enantiomer of a (+)-beta-caryophyllene.
The molecule <smiles>O([C@H]1[C@@H](O)[C@H](O[C@@H](O)[C@@H]1O)CO)[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O</smiles> is A glycosylgalactose that is beta-D-galactopyranose in which the hydroxy group at position 3 has been converted into the corresponding alpha-L-arabinopyranosyl derivative. Its functional parent is beta-D-galactose. Its functional parent is alpha-L-arabinopyranose. It is also related to or classified as glycosylgalactose.
The molecule <smiles>C[C@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C)OC</smiles> is LSM-38641. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C</smiles> is an organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties. It has the role of antioxidant. It has the role of antimicrobial agent. It has the role of physical tracer. It has the role of antidepressant. It has the role of EC 3.1.1.8 (cholinesterase) inhibitor. It has the role of antimalarial. It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor. It has the role of acid-base indicator. It has the role of fluorochrome. It has the role of neuroprotective agent. It has the role of histological dye. It has the role of cardioprotective agent. It has the role of EC 4.6.1.2 (guanylate cyclase) inhibitor. It is also related to or classified as organic chloride salt.
The molecule <smiles>O1C23C1CCC4(C2=C(C5(O)C(O)(C3)C(=O)C(C6C5(OC(=O)C6)C)(C)C)C(OC4C=7C=COC7)=O)C</smiles> is Dukunolide E. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2C(O)=O)O</smiles> is an amino disaccharide consisting of 2-acetamido-beta-D-glucopyranose and beta-D-glucopyranuronic acid residues joined in sequence by a (1->4)-glycosidic bond. Its functional parent is N-acetyl-beta-D-glucosamine. Its functional parent is beta-D-glucuronic acid. It is also related to or classified as acetamides, amino disaccharide, monocarboxylic acid.
The molecule <smiles>CC(=O)[C@@H]1CCC(=C)[C@@H](O)CC\C(C)=C\[C@@H]1OC(=O)\C=C\C(C)(C)O</smiles> is Eunicea sesquiterpenoid 6. It has the role of metabolite. It is also related to or classified as fatty acid ester .
The molecule <smiles>C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl</smiles> is a N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively. It has a role as a H1-receptor antagonist, an anxiolytic drug, a dermatologic drug, an antipruritic drug and an anticoronaviral agent. It is a N-alkylpiperazine, a hydroxyether and a member of monochlorobenzenes.