anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=O)NCP(=O)(O)O is a member of the class of acetamides obtained by formal condensation of acetic acid with the amino group of (aminomethyl)phosphonic acid. It is a member of acetamides and a member of phosphonic acids. It derives from an (aminomethyl)phosphonic acid. It is a conjugate acid of an (acetamidomethyl)phosphonate(1-).
The molecule CC(C)[C@H]1NC(=O)c2csc(n2)[C@@H](C)NC(=O)c2nc(oc2C)[C@@H](C)NC(=O)c2csc1n2 CC(C)[C@H]1NC(=O)c2csc(n2)[C@@H](C)NC(=O)c2nc(oc2C)[C@@H](C)NC(=O)c2csc1n2 is an eighteen-membered homodetic cyclic peptide which is isolated from Oscillatoria sp. and exhibits antimalarial activity against the W2 chloroquine-resistant strain 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 macrocycle  . It is also related to or classified as homodetic cyclic peptide , 1,3-thiazoles , 1,3-oxazoles .
The molecule C1CNC(=O)/C(=N/O)/CC2=CC(=C(C(=C2)Br)OC3=C(C(=CC(=C3)C/C(=N\\O)/C(=O)N/C=C/C4=CC(=C(C=C4)Br)OC5=C(C(=C1C=C5)Br)O)Br)O)Br is a macrocyclic lactam isolated from the marine sponge Ianthella and has been shown to exhibit calcium channel modulatory activity. It has a role as a metabolite and a calcium channel modulator. It is a cyclic ether, a ketoxime, a lactam, a macrocycle, an organobromine compound and a polyphenol.
The molecule O=C1C(=O)C2=C(O)C=CC=C2C(=C1C3=C(O)C=C(CC)C=C3C(=O)OC)O O=C1C(=O)C2=C(O)C=CC=C2C(=C1C3=C(O)C=C(CC)C=C3C(=O)OC)O is WS-5995-D. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule O(C[C@H]1O[C@@H](CC1)O)P(O[C@@H]2[C@H](O[C@@H](C2)O)COP(=O)(O)O)(=O)O O(C[C@H]1O[C@@H](CC1)O)P(O[C@@H]2[C@H](O[C@@H](C2)O)COP(=O)(O)O)(=O)O is A 2-deoxyribose bisphosphate that is 2-deoxy-alpha-D-ribofuranose 3,5-bisphosphate in which the phosphate group at position 3 is esterfied by a 2,3-dideoxy-alpha-D-ribofuranos-5-yl group. It has the role of Mycoplasma genitalium metabolite . It is also related to or classified as 2-deoxyribose bisphosphate .
The molecule [H][C@]12Cc3cc(\C=C\c4cc(O)c(CC=C(C)C)c(O)c4)cc(O)c3O[C@]1(C)C[C@@H](O)[C@@H](O)C2(C)C [H][C@]12Cc3cc(\C=C\c4cc(O)c(CC=C(C)C)c(O)c4)cc(O)c3O[C@]1(C)C[C@@H](O)[C@@H](O)C2(C)C is A stilbenoid derivative isolated from Macaranga alnifolia and Macaranga alnifolia and has been shown to exhibit cytotoxic activity. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as stilbenoid , organic heterotricyclic compound , resorcinols , cyclic ether .
The molecule CC(=CC[C@H](CC1=C2C(=C(C=C1O)OC)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)OC)C(=C)C)C is a dimethoxyflavanone that is (2S)-(-)-kurarinone in which the hydroxy group at position 2' is replaced by a methoxy group. Isolated from the roots of Sophora flavescens, it exhibits cytotoxicity against human myeloid leukemia HL-60 cells. It has a role as a metabolite and an antineoplastic agent. It is a dimethoxyflavanone, a dihydroxyflavanone and a member of 4'-hydroxyflavanones. It derives from a (2S)-(-)-kurarinone.
The molecule O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@@]5([C@](O)(C([C@H](O)C[C@H]5O)(C)C)CC[C@]4(O3)C)C O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@@]5([C@](O)(C([C@H](O)C[C@H]5O)(C)C)CC[C@]4(O3)C)C is Arisugacin L. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule OC(C(CCCCCCCCCCCCCCCC)C)=O OC(C(CCCCCCCCCCCCCCCC)C)=O is A methyl-branched fatty acid that is octadecanoic (stearic) acid bearing a methyl substituent at position 2. Its functional parent is octadecanoic acid . It is a conjugate acid of 2-methyloctadecanoate . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .
The molecule C=1(C(=C(CC=2C(C(=CC(C2)=O)OC)=O)C=C(C)C1)C(OC)=O)O C=1(C(=C(CC=2C(C(=CC(C2)=O)OC)=O)C=C(C)C1)C(OC)=O)O is an aromatic ester that is methyl 2-hydroxy-4-methylbenzoate attached to a (6-methoxy-1,4-benzoquinon-2-yl)methyl group at position 6. Isolated from Aspergillus variecolor, it exhibits cytotoxic activity. It has the role of antineoplastic agent . It has the role of Aspergillus metabolite . It is also related to or classified as 1,4-benzoquinones  . 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 aromatic ester .
The molecule C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O[C@@H]2C[C@@](O[C@@H]([C@@H]2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)OP(=O)(O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)[C@H](CO)O)O)O)O)O)OP(=O)(O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)N)O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)[C@@H](CO)O)(C(=O)O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)N)O)OP(=O)(O)O)[C@@H](CO)O)O)O is a branched twelve-membered oligosaccharide phosphate consisting of one galactose residue, three glucose residues, two 3-deoxy-D-manno-oct-2-ulosonic acid residues, three L-glycero-alpha-D-manno-heptose residues and three glucosamine residues, one of which is at the reducing end. The unit constitutes one of the two core oligosaccharide structures of enterobacterial lipopolysaccharide obtained from E. coli strain F653.
The molecule COc1cccc2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12 COc1cccc2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12 is 8-O-methyltetrangulol. Its functional parent is tetrangulol . It is also related to or classified as tetraphenes .
The molecule COc1cc(O)cc2C(=O)c3cc(C)c(C(=O)OC[C@@H](O)CO)c(O)c3C(=O)c12 COc1cc(O)cc2C(=O)c3cc(C)c(C(=O)OC[C@@H](O)CO)c(O)c3C(=O)c12 is an dihydroxyanthraquinone that is 1,6-dihydroxy-9,10-anthraquinone which is substituted by a methoxy group at position 8, a methyl group at position 3 and a [(2S)-2,3-dihydroxypropoxy]carbonyl group at position 2. Isolated from the fungus Aspergillus variecolor, it exhibits cytotoxic activity. It has the role of antineoplastic agent . It has the role of Aspergillus metabolite .  It is also related to or classified as dihydroxyanthraquinone  .  It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , aromatic ester .
The molecule COC1=C(C2=C3[C@@H](CC24C=CC(=O)C=C4)NCCC3=C1)OC is an isoquinoline alkaloid with formula C18H19NO3 that is isolated from several species of Stephania. It has a role as a plant metabolite. It is an aromatic ether, a secondary amino compound, an azaspiro compound, an enone, an isoquinoline alkaloid and an organic heterotetracyclic compound.
The molecule O(C[C@H]1O[C@@H](C[C@@H]1O)O)P(O[C@@H]2[C@H](O[C@@H](C2)O)COP(=O)(O)O)(=O)O O(C[C@H]1O[C@@H](C[C@@H]1O)O)P(O[C@@H]2[C@H](O[C@@H](C2)O)COP(=O)(O)O)(=O)O is A 2-deoxyribose bisphosphate that is 2-deoxy-alpha-D-ribofuranose 3,5-bisphosphate in which the phosphate group at position 3 is esterfied by a 2-deoxy-alpha-D-ribofuranos-5-yl group. It has the role of Mycoplasma genitalium metabolite . It is also related to or classified as 2-deoxyribose bisphosphate .
The molecule [NH3+][C@@H](COP([O-])([O-])=O)C([O-])=O [NH3+][C@@H](COP([O-])([O-])=O)C([O-])=O is an O-phosphonatooxyserine(2-) that is the conjugate base of O-phospho-L-serine. It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as O-phosphonatooxyserine(2-)  .
The molecule [H]C(=O)C1=C/C[C@@]2([H])[C@]3([H])[C@H](CC[C@@]3(C)CC[C@]2(C)C[C@@]2([H])[C@@H](C)CC(=O)[C@@]\12[H])C(C)=C [H]C(=O)C1=C/C[C@@]2([H])[C@]3([H])[C@H](CC[C@@]3(C)CC[C@]2(C)C[C@@]2([H])[C@@H](C)CC(=O)[C@@]\12[H])C(C)=C is A natural product found in several Aspergillus species. It has the role of chemokine receptor 5 antagonist . It has the role of Aspergillus metabolite .    It is also related to or classified as enal  . It is also related to or classified as carbotetracyclic compound , sesterterpenoid , cyclic ketone .
The molecule [H+].[H+].[H+].CC/C(=C(\\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O is a citrate salt. It has a role as an angiogenesis inhibitor and an anticoronaviral agent. It contains a tamoxifen.
The molecule OC1=CC=C2C(OC3=CC(O)=CC=C3C22OC(=O)C3=C2C=CC=C3)=C1 OC1=CC=C2C(OC3=CC(O)=CC=C3C22OC(=O)C3=C2C=CC=C3)=C1 is A xanthene dye that is highly fluorescent, detectable even when present in minute quantities. Used forensically to detect traces of blood, in analytical chemistry as an indicator in silver nitrate titrations and in microscopy. It has the role of radioopaque medium . It has the role of fluorescent dye . Its functional parent is fluorescein (acid form) .  It is also related to or classified as gamma-lactone  . It is also related to or classified as polyphenol , xanthene dye , oxaspiro compound , organic heteropentacyclic compound , 2-benzofurans .
The molecule C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)NS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H](C(=C(O2)C(=O)O)O)O)O)OS(=O)(=O)O is an amino disaccharide consisting of alpha-L-threo-hex-4-enopyranuronic acid and 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranose joined in sequence by a (1->4) glycosidic bond. It is a disaccharide derivative, an oligosaccharide sulfate, a member of sulfamic acids, a monocarboxylic acid and an enol.
The molecule COc1cc(ccc1O)C(=O)O[C@H]1[C@H](C(O)=O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C COc1cc(ccc1O)C(=O)O[C@H]1[C@H](C(O)=O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C is 3-O-vanillyceanothic acid. It has the role of plant metabolite . Its functional parent is vanillic acid .  It is also related to or classified as phenols  . It is also related to or classified as pentacyclic triterpenoid , aromatic ether , dicarboxylic acid .
The molecule C[C@@H]1CC[C@@]2([C@]13CCC[C@]3(C=C2C)C)C is a tricyclic sesquiterpene that is 1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene bearing four methyl substituents at positions 1, 3a, 4 and 5a. It has a role as a volatile oil component and a plant metabolite. It is a sesquiterpene and a carbotricyclic compound.
The molecule COC(=O)Cc1c(O)cc(O)cc1OC(=O)c1cc(OC)c(O)c(OC)c1 COC(=O)Cc1c(O)cc(O)cc1OC(=O)c1cc(OC)c(O)c(OC)c1 is A benzoate ester that is methyl (2,4-dihydroxyphenyl)acetate attached to a (4-hydroxy-3,5-dimethoxybenzoyl)oxy group. Isolated from Vaccinium ashei, it exhibits antioxidant activity. It has the role of antioxidant . It has the role of metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as resorcinols , benzoate ester , dimethoxybenzene .
The molecule CC(=O)NC1=CC=C(C=C1)OC is a member of the class of acetamides that is paracetamol in which the hydrogen of phenolic hydroxy group has been replaced by a methyl group. It is a member of acetamides and an aromatic ether. It derives from a p-anisidine and a paracetamol.
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](CO)OC1OP([O-])(=O)OP([O-])(=O)OC\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)CCC=C(C)C CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](CO)OC1OP([O-])(=O)OP([O-])(=O)OC\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)CCC=C(C)C is the dianion resulting from the removal of the two protons from the diphosphate group of beta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate. It is also related to or classified as organophosphate oxoanion .
The molecule Oc1cc(Cc2c(O)c(O)c3oc4c(O)c(Br)cc5ccc2c3c45)cc(Br)c1O Oc1cc(Cc2c(O)c(O)c3oc4c(O)c(Br)cc5ccc2c3c45)cc(Br)c1O is Urceolatin. It has the role of metabolite . It is also related to or classified as phenanthrol .
The molecule CCCCCCCCCCCCCCCCCC[C@@H](C[C@@H](CCCC[C@@H](C)[C@H](CC)OC)O)O is a lipid-based glycol consisting of (3S,4R)-3-methoxy-4-methylnonacosane having (9R)- and (11S)-hydroxy substituents; a characteristic constituent of the waxes of tubercule bacilli. It has a role as an epitope. It is a glycol and a lipid.
The molecule C1(=N[C@@H](C=2N(C3=C1C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=NN2)C)C)C=5C(Cl)=CC=CC5 C1(=N[C@@H](C=2N(C3=C1C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=NN2)C)C)C=5C(Cl)=CC=CC5 is Israpafant. It is also related to or classified as organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule [H][C@@]12CC3=C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@H]2[NH+](C)C [H][C@@]12CC3=C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@H]2[NH+](C)C is zwitterionic form of 12-dehydrotetracycline arising from transfer of a proton from the 2-hydroxy group to the adjacent tertiary amino group. It is also related to or classified as zwitterion  .
The molecule CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2=C3C=CC4=C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(N)=O CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2=C3C=CC4=C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(N)=O is A member of the class of ureas that is urea substituted by a (3beta,22E)-ergosta-4,6,8(14),22-tetraen-3-yl  group at position 1. Isolated from the fruit bodies of the fungus Chlorophyllum molybdites, it exhibits cytotoxicity against Kato III cells. It has the role of fungal metabolite . It is also related to or classified as ureas , ergostanoid .
The molecule CC1C2=C(CC(O1)CC(=O)O)C3=C4C(=C5N3C(CC5)C(C)O)C=CC(=O)C4=C2O is an organic heteropentacyclic compound that is isolated from Streptomyces sp. A54238. It exhibits inhibitory efficacy against the growth of human tumour cells. It has a role as a metabolite, an antimicrobial agent and an antineoplastic agent. It is an organic heteropentacyclic compound, a member of phenols, a secondary alcohol, a cyclic ether, an organonitrogen heterocyclic compound, an enone, an oxo monocarboxylic acid and an aromatic ketone.
The molecule O=C1N[C@H](C(=O)N[C@H]1CO)CC=2C3=C(C(=CC(=C3)CC=C(C)C)CC=C(C)C)NC2C(C=C)(C)C O=C1N[C@H](C(=O)N[C@H]1CO)CC=2C3=C(C(=CC(=C3)CC=C(C)C)CC=C(C)C)NC2C(C=C)(C)C is Cristatumin B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@H](COC(=O)[C@@H]1Cc1ccccc1)NC(=O)c1ncccc1O CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@H](COC(=O)[C@@H]1Cc1ccccc1)NC(=O)c1ncccc1O is A lactone which is 9-methyl-1,5-dioxonane-2,6-dione substituted by a benzyl group at position 8, a [(3-hydroxy-pyridine-2-yl)carbonyl]amino group at position 3 and an isobutyryloxy group at position 7. It is isolated from the mycelia cake of Streptomyces sp. 517-02 and exhibits potent antifungal activity. It has the role of antimicrobial agent . It has the role of antifungal agent . It has the role of bacterial metabolite . It is also related to or classified as lactone  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as monohydroxypyridine , aromatic amide .
The molecule C1=CC=C(C(=C1)C(=O)C[C@H](C(=O)O)N)N is a kynurenine that has D configuration. It has a role as a human metabolite. It is a kynurenine and a D-alpha-amino acid. It is an enantiomer of a L-kynurenine.
The molecule C=1N(C(N=C(C1)N)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(OC[C@@H](CO)O)(=O)[O-])(=O)[O-] C=1N(C(N=C(C1)N)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(OC[C@@H](CO)O)(=O)[O-])(=O)[O-] is an organophosphate oxoanion arising from deprotonation of the diphosphate OH groups of CDP-glycerol; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@@]5([C@](O)(C([C@@H](O)CC5)(C)C)CC[C@]4(O3)C)C O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@@]5([C@](O)(C([C@@H](O)CC5)(C)C)CC[C@]4(O3)C)C is Arisugacin M. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule COc1ccnc(C(=O)NC2COC(=O)C(Cc3ccccc3)C(OC(=O)C(\C)=C\C)C(C)OC2=O)c1O COc1ccnc(C(=O)NC2COC(=O)C(Cc3ccccc3)C(OC(=O)C(\C)=C\C)C(C)OC2=O)c1O is A lactone which is 9-methyl-1,5-dioxonane-2,6-dione substituted by a benzyl group at position 8, a [(3-hydroxy-4-methoxypyridine-2-yl)carbonyl]amino group at position 3 and a (2-methylbut-2-enoyl)oxy group at position 7. It is isolated from the mycelia cake of Streptomyces sp. 517-02 and exhibits potent antifungal activity. It has the role of antimicrobial agent . It has the role of antifungal agent . It has the role of bacterial metabolite . It is also related to or classified as lactone  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as aromatic ether , monohydroxypyridine , aromatic amide .
The molecule CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](C1=O)O)C(=O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O is a UDP-amino sugar having 2-acetamido-3-amino-2,3-dideoxy-alpha-D-ribo-hex-3-uloseuronic acid as the amino sugar component. It is an UDP-amino sugar and a secondary alpha-hydroxy ketone. It derives from a D-glucuronic acid. It is a conjugate acid of an UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate(3-).
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A linear amino hexasaccharide comprised of beta-D-galactose, N-acetyl-beta-D-glucosamine, alpha-D-mannose, beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-beta-D-glucosamine residues linked sequentially (1->4), (1->2), (1->3), (1->4) and (1->4). It has the role of epitope . It is also related to or classified as glucosamine oligosaccharide , amino hexasaccharide .
The molecule COc1ccnc(C(=O)N[C@H]2COC(=O)C(Cc3ccccc3)[C@@H](OC(=O)C(C)C)C(C)OC2=O)c1O COc1ccnc(C(=O)N[C@H]2COC(=O)C(Cc3ccccc3)[C@@H](OC(=O)C(C)C)C(C)OC2=O)c1O is A lactone which is 9-methyl-1,5-dioxonane-2,6-dione substituted by a benzyl group at position 8, a [(3-hydroxy-4-methoxypyridine-2-yl)carbonyl]amino group at position 3 and an isobutyryloxy group at position 7. It is isolated from the mycelia cake of Streptomyces sp. 517-02 and exhibits potent antifungal activity. It has the role of antimicrobial agent . It has the role of antifungal agent . It has the role of bacterial metabolite . It is also related to or classified as lactone  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as aromatic ether , monohydroxypyridine , aromatic amide .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCCCCCC(=O)O)O)O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (14R)-14-hydroxypentadecanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a monocarboxylic acid and an (omega-1)-hydroxy fatty acid ascaroside. It derives from a (14R)-14-hydroxypentadecanoic acid. It is a conjugate acid of an ascr#26(1-).
The molecule [NH3+]CCS([O-])(=O)=O [NH3+]CCS([O-])(=O)=O is the zwitterion formed from taurine by transfer of a proton from the sulfonyl to the amino group.  It is the major species existing at physiological pH. It is also related to or classified as zwitterion  .
The molecule [H][C@]12CCN3C(=O)[C@@]([H])(C(=O)[C@H]4[C@@H](C)C=C[C@@]5(C)CCCC[C@]45C)[C@]([H])(OC1=O)[C@]23O [H][C@]12CCN3C(=O)[C@@]([H])(C(=O)[C@H]4[C@@H](C)C=C[C@@]5(C)CCCC[C@]45C)[C@]([H])(OC1=O)[C@]23O is an organic heterotricyclic compound that incorporates a lactam and a gamma-lactone as part of the cyclic system which in turn is attached to a (2,4a,8a-trimethyl-octahydronaphthalen-1-yl)carbonyl group at position 7. It is isolated from Acremonium sp. KY4917 and exhibits antibacterial activity. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of antineoplastic agent .  It is also related to or classified as ketone  . It is also related to or classified as lactam  . It is also related to or classified as tertiary alcohol  .  It is also related to or classified as gamma-lactone  . It is also related to or classified as octahydronaphthalenes , organic heterotricyclic compound .
The molecule CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)N)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of malonamic acid. It derives from a malonamic acid.
The molecule O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@@]5([C@](O)(C(C(=O)C[C@H]5O)(C)C)CC[C@]4(O3)C)C O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@@]5([C@](O)(C(C(=O)C[C@H]5O)(C)C)CC[C@]4(O3)C)C is Arisugacin N. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H]C(=O)C=C(C)CCC=C(C)CCC=C(C)C [H]C(=O)C=C(C)CCC=C(C)CCC=C(C)C is farnesal.  It is also related to or classified as enal  . It is also related to or classified as farnesane sesquiterpenoid .
The molecule [H][C@]12CC[C@@]3(C)[C@@H](OC(=O)C[C@@]3([H])[C@@]11CC3[C@H](OC(=O)C(\C)=C\C)C(C)(C)[C@H](CC(=O)OC)[C@]2(C)[C@@]3(O)O1)c1ccoc1 [H][C@]12CC[C@@]3(C)[C@@H](OC(=O)C[C@@]3([H])[C@@]11CC3[C@H](OC(=O)C(\C)=C\C)C(C)(C)[C@H](CC(=O)OC)[C@]2(C)[C@@]3(O)O1)c1ccoc1 is A limonoid isolated from Xylocarpus granatum and has been shown to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as delta-lactone  .  It is also related to or classified as methyl ester  .    It is also related to or classified as enoate ester  . It is also related to or classified as furans , bridged compound , organic heteropentacyclic compound , limonoid .
The molecule C1=CC(=C2C(=C1O)OC3=CC(=CC(=C3C2=O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O is a beta-D-glucoside that is bellidin in which a beta-D-glucopyranosyl residue is attached at position O-8. A natural product found particularly in Gentiana campestris and Gentiana germanica. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a metabolite. It is a member of xanthones and a beta-D-glucoside. It derives from a bellidin.
The molecule CC(=C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CC(=C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-methylbut-3-enoic acid. Its functional parent is coenzyme A . It is also related to or classified as monounsaturated fatty acyl-CoA , methyl-branched fatty acyl-CoA , short-chain fatty acyl-CoA .
The molecule [H][C@@]12CO[C@@]3([H])[C@]4([H])CC\C(C)=C\CC(C)(C)\C=C\C[C@@]4(C)OC(=C(O)C1=O)[C@@]23[H] [H][C@@]12CO[C@@]3([H])[C@]4([H])CC\C(C)=C\CC(C)(C)\C=C\C[C@@]4(C)OC(=C(O)C1=O)[C@@]23[H] is A sesquiterpenoid based on a humulene skeleton. It is isolated from Sarocladium strictum and has been shown to exhibit inhibitory activity against GABA receptor. It has the role of metabolite . It has the role of GABA antagonist .    It is also related to or classified as enone  . It is also related to or classified as sesquiterpenoid , cyclic ether , organic heterotetracyclic compound .
The molecule C1=CC(=C(C=C1[C@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)[O-])O)O)O is the conjugate base of (+)-epitaxifolin arising from selective deprotonation of the 7-OH group; major species at pH 7.3. It is a conjugate base of a (+)-epitaxifolin.