anonymous041/ChEBI-Augmented huggingface dataset:
The molecule 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 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 is LSM-38641. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C [Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C 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 O1C23C1CCC4(C2=C(C5(O)C(O)(C3)C(=O)C(C6C5(OC(=O)C6)C)(C)C)C(OC4C=7C=COC7)=O)C O1C23C1CCC4(C2=C(C5(O)C(O)(C3)C(=O)C(C6C5(OC(=O)C6)C)(C)C)C(OC4C=7C=COC7)=O)C is Dukunolide E. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule 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 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 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 CC(=O)[C@@H]1CCC(=C)[C@@H](O)CC\C(C)=C\[C@@H]1OC(=O)\C=C\C(C)(C)O CC(=O)[C@@H]1CCC(=C)[C@@H](O)CC\C(C)=C\[C@@H]1OC(=O)\C=C\C(C)(C)O is Eunicea sesquiterpenoid 6. It has the role of metabolite . It is also related to or classified as fatty acid ester  .
The molecule C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl 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.
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)C(=O)O)OC)O)/C)/C)/C)/C)/C)/C)/C)C is a 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoic acid in which the polyprenyl component is specified as octaprenyl. It is a conjugate acid of a 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate.
The molecule C[C@H]1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)[C@@H]1C)-c1c(O)cc(O)c2c(O)c3C(=O)[C@H](C)[C@H](C)Oc3cc12 C[C@H]1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)[C@@H]1C)-c1c(O)cc(O)c2c(O)c3C(=O)[C@H](C)[C@H](C)Oc3cc12 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', 3 and 3' (the 2R,2'S,3R,3'R 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 CN(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@@H]2CO)C(=O)NC4=CC=CC=C4F CN(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@@H]2CO)C(=O)NC4=CC=CC=C4F is (8S,9R,10S)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-N-(2-fluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)OC)C is a member of the class of thioureas that is 3,4-dihydropyrimidine-2(1H)-thione substituted by a 3-methoxyphenyl group at position 4, a methyl group at position 6 and a ethoxycarbonyl group at position 5. It is a pyrimidinecarboxylate ester, an aromatic ether, a member of thioureas and an ethyl ester.
The molecule [H][C@]12[C@H](OC(=O)\C=C\C(C)(C)O)[C@@H](CC[C@]1(C)[C@@H](O)CCC2=C)C(C)=O [H][C@]12[C@H](OC(=O)\C=C\C(C)(C)O)[C@@H](CC[C@]1(C)[C@@H](O)CCC2=C)C(C)=O is Eunicea sesquiterpenoid 5. It has the role of metabolite . It is also related to or classified as fatty acid ester  .
The molecule CC[C@@H]1[C@@H](C[C@H]2[C@H]1C=C[C@H]3[C@@H]2C[C@@H]/4[C@@H]3C/C=C\\C(=O)NCC[C@H]([C@H]5C(=O)/C(=C(\\C=C4)/O)/C(=O)N5)O)C is a polyketide macrolactam containing a tetramic acid (pyrrolidine-2,4-dione) ring system. It is the 3-hydroxyl derivative of ikarugamycin and isolated from Micromonospora sp. K310. It has a role as a marine metabolite, a bacterial metabolite and an antibacterial agent. It is an azamacrocycle, an organic heteropentacyclic compound, an enone, a lactam and a polyketide. It derives from an ikarugamycin.
The molecule CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1 is an organic thiophosphate and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical. It derives from a quinoxalin-2-ol.
The molecule [H][C@@]12Cc3c(ccc(O)c3C(=O)C1=C([O-])[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@]1([H])C2)N(C)C [H][C@@]12Cc3c(ccc(O)c3C(=O)C1=C([O-])[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@]1([H])C2)N(C)C is an organic anion that is the conjugate base of minocycline, obtained by deprotonation of the two enolic hydroxy groups and protonation of the non-aromatic tertiary amino group. It is also related to or classified as organic anion .
The molecule Oc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Oc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 is A tetrahydroxyanthraquinonen that is 9,10-anthraquinone substituted by hydroxy groups at positions 1, 3, 6 and 8. It has been isolated from Chaetomium globosum and Leptographium wageneri. It has the role of Chaetomium metabolite . It is also related to or classified as tetrahydroxyanthraquinone .
The molecule CC(C)NC(=O)N1[C@@H]([C@H]([C@H]1CO)C2=CC=CC=C2)CN(C(C)C)C(=O)COC CC(C)NC(=O)N1[C@@H]([C@H]([C@H]1CO)C2=CC=CC=C2)CN(C(C)C)C(=O)COC is (2S,3R,4S)-2-(hydroxymethyl)-4-[[(2-methoxy-1-oxoethyl)-propan-2-ylamino]methyl]-3-phenyl-N-propan-2-yl-1-azetidinecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@]12CS[C@@H](CCCCC(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2 [H][C@]12CS[C@@H](CCCCC(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2 is biotinyl-5'-AMP. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is biotin . Its functional parent is adenosine 5'-monophosphate . It is a conjugate acid of biotinyl-5'-AMP(1-) . It is also related to or classified as purine ribonucleoside 5'-monophosphate .
The molecule [H][C@@]12OC(=O)[C@@H](C)[C@]1([H])CCC(=C)[C@@H](O)CC\C(C)=C\2 [H][C@@]12OC(=O)[C@@H](C)[C@]1([H])CCC(=C)[C@@H](O)CC\C(C)=C\2 is Eunicea sesquiterpenoid 3. It has the role of metabolite . It has the role of antimalarial . It is also related to or classified as secondary alcohol  . It is also related to or classified as germacrane sesquiterpenoid .
The molecule C[C@H]1C(=O)[C@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)O is a dTDP-sugar having 4-dehydro-3-methyl-2,6-dideoxy-beta-L-glucose as the sugar component. It is a dTDP-sugar and a tertiary alpha-hydroxy ketone. It derives from a dTDP-L-glucose.
The molecule CC(=CCC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(C(=C(C=C3)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)C5=CC=CN5)O)Cl)OC2=O)O)O)C is a hydroxycoumarin antibiotic with formula C34H35ClN2O11, that is produced by Streptomyces roseochromogenes It has a role as an antimicrobial agent and a bacterial metabolite. It is a hexoside, a hydroxycoumarin, a monosaccharide derivative, a member of benzamides, an organochlorine compound, a member of pyrroles, an ether and a member of phenols.
The molecule C(CCCSC)=NO C(CCCSC)=NO is an aliphatic aldoxime resulting from the formal condensation of 4-(methylsulfanyl)butanal with hydroxylamine. It is also related to or classified as aliphatic aldoxime  . It is also related to or classified as methyl sulfide  .
The molecule COC(=O)c1c(O)ccc2oc3cccc(O)c3c(=O)c12 COC(=O)c1c(O)ccc2oc3cccc(O)c3c(=O)c12 is A member of the class of xanthones that is methyl 9H-xanthene-1-carboxylate substituted by hydroxy groups at positions 2 and 8 and an oxo group at position 9. It has been isolated from Chaetomium globosum. It has the role of Chaetomium metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as polyphenol , xanthones , aromatic ester .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCC[C@H](CC(=O)O)O)O)O is an omega-hydroxy fatty acid ascaroside that is oscr#10 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an omega-hydroxy fatty acid ascaroside, a 3-hydroxy carboxylic acid and a monocarboxylic acid. It derives from an oscr#10 and a (3R)-3,9-dihydroxynonanoic acid. It is a conjugate acid of a bhos#10(1-).
The molecule [H][C@@]12CC[C@]3(C)[C@@H](O)CCC(=C)[C@@]3([H])[C@]1([H])OC(=O)[C@H]2C [H][C@@]12CC[C@]3(C)[C@@H](O)CCC(=C)[C@@]3([H])[C@]1([H])OC(=O)[C@H]2C is A eudesmane sesquiterpenoid in which the eudesmane skeleton is substituted with an alpha-hydroxy group at C-1 (eudesmane numbering) and a methylidene group at C-4, and includes a lactone ring formed between C-12 and a beta-hydroxy group at C-6. It is isolated from Eunicea sp. and exhibits significant inhibitory effect upon the growth of the malarial parasite Plasmodium falciparum. It has the role of metabolite . It has the role of antimalarial .  It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , eudesmane sesquiterpenoid .
The molecule C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)N is an acridinium ion resulting from the protonation of the ring nitrogen of 9-aminoacridine. The major species at pH 7.3. It is a conjugate acid of a 9-aminoacridine.
The molecule CC1=CC(=O)C2=C(C1=O)C=CC=C2O is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. It has a role as a metabolite, an immunological adjuvant, an anticoagulant and an antineoplastic agent. It is a member of phenols and a hydroxy-1,4-naphthoquinone.
The molecule O=C1N2[C@H](C(=O)N[C@H](C(=O)N3[C@@H](C(N[C@H]1CC4=CC=CC=C4)=O)CCC3)CC(C)C)CCC2 O=C1N2[C@H](C(=O)N[C@H](C(=O)N3[C@@H](C(N[C@H]1CC4=CC=CC=C4)=O)CCC3)CC(C)C)CCC2 is Provipeptide A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC(=O)c1cccc2oc3cccc(O)c3c(=O)c12 OC(=O)c1cccc2oc3cccc(O)c3c(=O)c12 is A member of the class of xanthones that is 9H-xanthene substituted by a hydroxy group at position 8, an oxo group at position 9 and a carboxy group at position 1. It has been isolated from Chaetomium globosum. It has the role of Chaetomium metabolite . It is also related to or classified as phenols  . It is also related to or classified as hydroxy monocarboxylic acid , xanthones .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C is N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1C(=O)N(CC[C@H]2CC[C@@H]([C@H](O2)COC3=C(C=CC=C3C(=O)N1C)C#N)OC)C C[C@H]1C(=O)N(CC[C@H]2CC[C@@H]([C@H](O2)COC3=C(C=CC=C3C(=O)N1C)C#N)OC)C is LSM-38654. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]12Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@]1(C)CC[C@@]1(O)C(=C)CCC(=C(C)C)[C@@]21[H] [H][C@@]12Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@]1(C)CC[C@@]1(O)C(=C)CCC(=C(C)C)[C@@]21[H] is an organic heterotetracyclic compound whose skeleton is composed of 3,5-diformyl-isopentyl substituted phloroglucinol fused with a cadinane ring system. Isolated from Eucalyptus globulus, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as benzaldehydes , resorcinols , cyclic ether , organic heterotetracyclic compound .
The molecule CC(C)CC(=O)C1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O is a beta-D-glucoside compound having a (3-methylbutanoyl)phloroglucinyl moiety at the anomeric position. Isolated from the whole plant of Indigofera heterantha, it exhibits lipoxygenase inhibitory activity. It has a role as a metabolite and a lipoxygenase inhibitor. It is a beta-D-glucoside, a polyphenol and an aromatic ketone. It derives from a phloroglucinol.
The molecule CCCCCCCCC1=C(C1)CCCCCCCC(=O)O is a long-chain, monounsaturated fatty acid composed of 9-octadecenoic acid having a 9,10-cyclopropenyl group. It is a cyclopropenyl fatty acid, a long-chain fatty acid and a monounsaturated fatty acid. It derives from an octadec-9-enoic acid.
The molecule C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C)OC C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C)OC is LSM-38642. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@H](C)CO)C)CN(C)C C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@H](C)CO)C)CN(C)C is N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-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]-4-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COc1ccc2oc3cccc(O)c3c(=O)c2c1O COc1ccc2oc3cccc(O)c3c(=O)c2c1O is A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy group at positions 1 and 8 and a methoxy group at position 2. It has been isolated from Chaetomium globosum.( Compound class : xanthenone). It has the role of Chaetomium metabolite . It is also related to or classified as polyphenol , aromatic ether , xanthones .
The molecule C(C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)CN=C(N)N is a tetrapeptide composed of L-arginine, L-asparagine, L-glutamine, and L-arginine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-arginine, a L-asparagine and a L-glutamine.
The molecule [H][C@@]12Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@]1(C)CC[C@@]1(O)C(=C)CC[C@H]([C@@]21[H])C(C)(C)O [H][C@@]12Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@]1(C)CC[C@@]1(O)C(=C)CC[C@H]([C@@]21[H])C(C)(C)O is an organic heterotetracyclic compound whose skeleton is composed of 3,5-diformyl-isopentyl substituted phloroglucinol fused with a cadinane ring system. Isolated from Eucalyptus globulus, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as benzaldehydes , resorcinols , cyclic ether , organic heterotetracyclic compound .
The molecule C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O is a ribonucleoside composed of a molecule of uracil attached to a ribofuranose moiety via a beta-N(1)-glycosidic bond. It has a role as a human metabolite, a fundamental metabolite and a drug metabolite. It derives from a uracil.
The molecule CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24 is an organic heterotetracyclic compound that is 2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole bearing methyl and chloro substituents at positions 2 and 5 respectively. It is an organic heterotetracyclic compound, an organochlorine compound, a cyclic ether and a tertiary amino compound.
The molecule OC[C@H]1O[C@H]([C@@H]2OP(O)(=O)O[C@H]12)n1ccc(=O)[nH]c1=O OC[C@H]1O[C@H]([C@@H]2OP(O)(=O)O[C@H]12)n1ccc(=O)[nH]c1=O is A 2',3'-cyclic pyrimidine nucleotide in which uridine is the parent nucleoside. It has the role of Escherichia coli metabolite . It is a conjugate acid of 2',3'-cyclic UMP(1-) . It is also related to or classified as 2',3'-cyclic pyrimidine nucleotide .
The molecule CO[C@H]1Cc2oc3cccc(O)c3c(=O)c2[C@@](O)([C@@H]1O)C(=O)OC CO[C@H]1Cc2oc3cccc(O)c3c(=O)c2[C@@](O)([C@@H]1O)C(=O)OC is A member of the class of xanthones that is methyl-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8 and a methoxy group at position 3 (the 1R,2R,3S stereoisomer). It has been isolated from Chaetomium globosum. It has the role of Chaetomium metabolite . It is also related to or classified as methyl ester  . 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 xanthones .
The molecule [H][C@@]12[C@@H](CCC(=C)[C@]1(O)CC[C@]1(C)[C@H](CC(C)C)c3c(O)c(C=O)c(O)c(C=O)c3O[C@@H]21)C(C)=C [H][C@@]12[C@@H](CCC(=C)[C@]1(O)CC[C@]1(C)[C@H](CC(C)C)c3c(O)c(C=O)c(O)c(C=O)c3O[C@@H]21)C(C)=C is an organic heterotetracyclic compound whose skeleton is composed of 3,5-diformyl-isopentyl substituted phloroglucinol fused with a cadinane ring system. Isolated from Eucalyptus globulus, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as benzaldehydes , resorcinols , cyclic ether , organic heterotetracyclic compound .
The molecule C1=CC=C(C=C1)C[C@H](C(=O)O)[NH3+] is an optically active form of phenylalaninium having D-configuration. It is a conjugate acid of a D-phenylalanine. It is an enantiomer of a L-phenylalaninium.
The molecule CC(C)N(CCCCOCC(=O)O)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3 is a member of the class of pyrazines that is {4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetic acid carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. The active metabolite of selexipag, an orphan drug used for the treatment of pulmonary arterial hypertension. It has a role as an orphan drug, a platelet aggregation inhibitor, a prostacyclin receptor agonist, a vasodilator agent and a drug metabolite. It is an aromatic amine, an ether, a member of pyrazines, a sulfonamide, a tertiary amino compound and a monocarboxylic acid.
The molecule OC1Oc2cc([O-])cc(O)c2C(=O)C1c1ccc(O)cc1 OC1Oc2cc([O-])cc(O)c2C(=O)C1c1ccc(O)cc1 is an organic anion that is the 7-oxoanion of 2-hydroxy-2,3-dihydrogenistein. It is also related to or classified as organic anion .
The molecule COC(=O)[C@]1(O)[C@H](O)C=Cc2oc3cccc(O)c3c(=O)c12 COC(=O)[C@]1(O)[C@H](O)C=Cc2oc3cccc(O)c3c(=O)c12 is A member of the class of xanthones that is methyl 9-oxo-2,9-dihydro-1H-xanthene-1-carboxylate  substituted by hydroxy groups at positions 1, 2 and 8 (the 1R,2R stereoisomer). Isolated from Chaetomium globosum, it exhibits cytotoxicity towards human tumour cell lines. It has the role of antineoplastic agent . It has the role of Chaetomium metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as phenols  . It is also related to or classified as xanthones .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3 is 4-(dimethylamino)-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)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 C[C@]12C[C@]1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C is an azabicycloalkane that is 1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione in which the amino hydrogen is replaced by a 3,5-dichlorophenyl group. A fungicide widely used in horticulture as a seed dressing, pre-harvest spray or post-harvest dip for the control of various diseases. It has a role as an antifungal agrochemical. It is an azabicycloalkane and a dichlorophenyl dicarboximide fungicide.
The molecule [H][C@]1(C[C@H](O)CCC[C@@H](C\C=C/C=C/C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O1)OC)[C@H](C)[C@H](O)\C=C(C)\C=C\C=C\C=C\C=C\C=C\C[C@H](O)\C=C(/C)CCC(O)=O [H][C@]1(C[C@H](O)CCC[C@@H](C\C=C/C=C/C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O1)OC)[C@H](C)[C@H](O)\C=C(C)\C=C\C=C\C=C\C=C\C=C\C[C@H](O)\C=C(/C)CCC(O)=O is A macrolide antibiotic isolated from the culture broth of the myxobacterium Sorangium cellulosum and has been found to be active against Gram-positive bacteria. It has the role of metabolite . It has the role of antibacterial agent . It is also related to or classified as macrolide antibiotic , hydroxy monocarboxylic acid .
The molecule CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O is a mycolate ester formed by esterification of (2R,3R)-3-hydroxy-2-tetradecyldocosanoic acid with the 6-OH of beta-D-glucose. It derives from a D-glucopyranose.
The molecule CC(C)C(=O)/C=C\\C(=C(/C(=O)O)\\[O-])\\C(=O)[O-] is a hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy groups of 2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid; major species at pH 7.3. It derives from an octa-2,4-dienoate. It is a conjugate base of a 2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid.
The molecule COC1OC(C)=Cc2oc3cc(O)c(O)c(C(O)=O)c3c(=O)c12 COC1OC(C)=Cc2oc3cc(O)c(O)c(C(O)=O)c3c(=O)c12 is an organic heterotricyclic compound that is 1H,10H-pyrano[4,3-b]chromene substituted by hydroxy groups at positions 7 and 8, a methoxy group at position 1, a methyl group at position 3 and an oxo group at position 10. Isolated from Chaetomium funicola, it exhibits inhibitory activity against metallo-beta-lactamases. It has the role of EC 3.5.2.6 (beta-lactamase) inhibitor . It has the role of Chaetomium metabolite .   It is also related to or classified as catechols  . It is also related to or classified as monocarboxylic acid , organic heterotricyclic compound , cyclic ether , cyclic ketone .
The molecule CC[C@@H](C)c1cc(=O)c2c(CO)cc3C(=O)c4cccc(O)c4C(=O)c3c2o1 CC[C@@H](C)c1cc(=O)c2c(CO)cc3C(=O)c4cccc(O)c4C(=O)c3c2o1 is A  naphthochromene that is 4H-naphtho[2,3-h]chromene which is substituted at position 2 by a (2R)-butan-2-yl group, at position 5 by a hydroxymethyl group, at position 11 by a hydroxy group, and at positions 4, 7, and 12 by oxogroups. An antibiotic isolated from Streptomyces sp. cu39, it exerts a potent protecting effect on neuronal cells through suppressing L-glutamate toxicity. It has the role of metabolite . It has the role of antimicrobial agent .   It is also related to or classified as phenols  . It is also related to or classified as benzyl alcohols , p-quinones , naphthochromene .
The molecule C[C@H]1[C@@H]2C[NH+]3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45 is an ammonium ion resulting from the protonation of the tertiary amino group of tetrahydroalstonine. The major microspecies at pH 7.3. It is a conjugate acid of a tetrahydroalstonine.