anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCC/C=C/C(=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 is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#25. It derives from an oscr#25. It is a conjugate acid of an oscr#25-CoA(4-).
The molecule [H][C@@]12C[C@H](C)[C@@]3([H])CC[C@](C)(NC=O)[C@@]4([H])CC[C@@]([H])([C@]1([H])[C@]34[H])[C@](C)([N+]#[C-])[C@H](C)C2 [H][C@@]12C[C@H](C)[C@@]3([H])CC[C@](C)(NC=O)[C@@]4([H])CC[C@@]([H])([C@]1([H])[C@]34[H])[C@](C)([N+]#[C-])[C@H](C)C2 is A tetracyclic diterpenoid that is hexadecahydropyrene substituted by isocyano group at position 8, methyl groups at positions 1, 4, 7 and 8 and a formamido group at position 1. Isolated from the tropical marine sponge Cymbastela hooperi, it exhibits antiplasmodial activity. It has the role of metabolite . It has the role of antiplasmodial drug .  It is also related to or classified as isocyanide  . It is also related to or classified as formamides , tetracyclic diterpenoid .
The molecule OC[C@H]1O[C@@H](Oc2cc3c([O-])cc([O-])cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc3c([O-])cc([O-])cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)[C@@H](O)[C@@H]1O is an organic anion obtained by deprotonation of the 5 and 7 positions of cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). Its functional parent is cyanidin cation . It is also related to or classified as organic anion .
The molecule OC[C@H]1O[C@@H](O)[C@H](F)[C@@H](O)[C@H]1O OC[C@H]1O[C@@H](O)[C@H](F)[C@@H](O)[C@H]1O is 2-deoxy-2-fluoro-beta-D-galactose. Its functional parent is beta-D-galactose . It is also related to or classified as 2-deoxy-2-fluoro-D-galactopyranose  .
The molecule C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@H](C=C1C)\C=C\C[C@H](C)\C=C(C)\[C@@H](O)[C@@H](O)\C=C/C2=O C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@H](C=C1C)\C=C\C[C@H](C)\C=C(C)\[C@@H](O)[C@@H](O)\C=C/C2=O is A cytochalasan alkaloid found in Chaetomium globosum. It has the role of antineoplastic agent . It has the role of Chaetomium metabolite .  It is also related to or classified as macrocycle  . It is also related to or classified as indoles , cytochalasan alkaloid .
The molecule C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic acid with the amino group of benzylamine. It has a role as an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor, an antioxidant, a STAT3 inhibitor, an anti-inflammatory agent and an apoptosis inducer. It is an enamide, a monocarboxylic acid amide, a nitrile, a member of catechols and a secondary carboxamide.
The molecule CC(=O)OC/C=C/C1=CC=C(C=C1)O is a phenylpropanoid that is trans-p-coumaryl alcohol in which the hydrogen from the allylic hydroxy group is replaced by an acetyl group. It is a phenylpropanoid, a member of phenols and an acetate ester. It derives from a trans-p-coumaryl alcohol.
The molecule [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]1([H])CC3)[C@@H](CCC=C(C)C)C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]1([H])CC3)[C@@H](CCC=C(C)C)C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O is A triterpene glycoside that consists of lanost-8,24-dien-21-oic acid substituted at by a alpha-acetyloxy group at position 3 and a beta-D-xylopyranosyl moiety at position 21 via a glycosidic linkage. Isolated from the fruit body of Fomitopsis pinicola, it exhibits inhibitory activity against COX-1 and COX-2. It has the role of cyclooxygenase 2 inhibitor . It has the role of cyclooxygenase 1 inhibitor . It has the role of fungal metabolite .  It is also related to or classified as beta-D-xyloside  . It is also related to or classified as acetate ester  . It is also related to or classified as tetracyclic triterpenoid , triterpenoid saponin , monosaccharide derivative .
The molecule Oc1ccc2c(c1)occ(-c1ccc3OCOc3c1)c2=O Oc1ccc2c(c1)occ(-c1ccc3OCOc3c1)c2=O is A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone and in which the phenyl group at position 3 is replaced by a 1,3-benzodioxol-5-yl group. It has the role of antiprotozoal drug . It has the role of plant metabolite . It is a conjugate acid of pseudobaptigenin(1-) .  It is also related to or classified as 7-hydroxyisoflavones  . It is also related to or classified as benzodioxoles .
The molecule C(=O)([C@@H](NC(C)=O)CCSC)N[C@H](C(=O)O)CCC(N)=O C(=O)([C@@H](NC(C)=O)CCSC)N[C@H](C(=O)O)CCC(N)=O is A dipeptide obtained by formal condensation of the carboxy group of N-acetyl-L-methionine with the amino group of L-glutamine. It is also related to or classified as acetamide  . It is also related to or classified as dipeptide  .
The molecule C[C@H]1C\C=C\[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)\C=C/[C@H](O)[C@H](O)\C(C)=C\1 C[C@H]1C\C=C\[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)\C=C/[C@H](O)[C@H](O)\C(C)=C\1 is A cytochalasan alkaloid found in Chaetomium globosum. It has the role of antineoplastic agent . It has the role of Chaetomium metabolite .  It is also related to or classified as macrocycle  . It is also related to or classified as indoles , cytochalasan alkaloid .
The molecule CC1=CC(=CC(=C1OC)O)C[C@@H](C(=O)[O-])[NH3+] is an amino acid zwitterion resulting from a transfer of a proton from the carboxy to the amino group of 5-hydroxy-3-methyl-O-methyl-L-tyrosine; major species at pH 7.3. It is a tautomer of a 3-hydroxy-O,5-dimethyl-L-tyrosine.
The molecule CC(=O)OC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC is a tetramethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7 and 8 and an acetoxy group at position 4'. It is a tetramethoxyflavone and an acetate ester. It derives from a flavone.
The molecule [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]1([H])CC3)[C@@H](C\C=C\C(C)(C)O)C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]1([H])CC3)[C@@H](C\C=C\C(C)(C)O)C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O is A triterpene glycoside that consists of lanost-8,23-dien-21-oic acid substituted at by a alpha-acetyloxy group at position 3, a hydroxy group at position 25 and a beta-D-xylopyranosyl moiety at position 21 via a glycosidic linkage. Isolated from the fruit body of  Fomitopsis pinicola, it exhibits inhibitory activity against COX-1 and COX-2. It has the role of cyclooxygenase 2 inhibitor . It has the role of cyclooxygenase 1 inhibitor . It has the role of fungal metabolite .  It is also related to or classified as beta-D-xyloside  . It is also related to or classified as secondary alcohol  . It is also related to or classified as acetate ester  . It is also related to or classified as tetracyclic triterpenoid , triterpenoid saponin .
The molecule CCCCCCCCCCCCCCCCCCCCCCC(O)C([O-])=O CCCCCCCCCCCCCCCCCCCCCCC(O)C([O-])=O is A 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxytetracosanoic acid (also known as 2-hydroxylignoceric or cerebronic acid), obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is tetracosanoate . It is also related to or classified as 2-hydroxy fatty acid anion 24:0  . It is also related to or classified as very long-chain fatty acid anion  .
The molecule C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)\C=C(C)\C(=O)[C@@H](O)CCC2=O)[C@H](O)C1=C C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)\C=C(C)\C(=O)[C@@H](O)CCC2=O)[C@H](O)C1=C is A cytochalasan alkaloid found in Chaetomium globosum and Chaetomium brasiliense. It has the role of Chaetomium metabolite . It is also related to or classified as secondary alpha-hydroxy ketone  .  It is also related to or classified as macrocycle  . It is also related to or classified as indoles , cytochalasan alkaloid .
The molecule CNC1=CC=NC(=O)N1 is a pyrimidone that is cytosine bearing an N(4)-methyl substituent. It has a role as a metabolite. It is an aminopyrimidine, a pyrimidone and a methylcytosine. It derives from a cytosine.
The molecule C(CC(=O)NCCS(=O)(=O)[O-])[C@@H](C(=O)[O-])[NH3+] is an organosulfonate oxoanion resulting from the deprotonation of the sulfonic acid moiety of glutaurine zwitterion. The major species at pH 7.3. It has a role as an anticonvulsant, an anxiolytic drug and a hormone. It is a conjugate base of a glutaurine zwitterion.
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)O)CO)O)O)O)O is an amino disaccharide consisting of N-acetyl-D-glucosamine having an alpha-L-fucosyl residue attached at the 3-position. It is an amino disaccharide and a glucosamine oligosaccharide.
The molecule [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3)[C@@H](CC[C@H](O)C(C)(C)O)C(O)=O [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3)[C@@H](CC[C@H](O)C(C)(C)O)C(O)=O is A tetracyclic triterpenoid that is lanost-8-ene substituted by hydroxy groups at positions 24 and 25 , a carboxylic acid at position 21 and an oxo grouo at position 3 (the 24S stereoisomer). Isolated from the fruit bodies of Fomitopsis pinicola, it exhibits antiinflammatory activity against cylooxygenase-1 (COX-1) and cylooxygenase-2 (COX-2). It has the role of metabolite . It has the role of cyclooxygenase 2 inhibitor . It has the role of cyclooxygenase 1 inhibitor . It is also related to or classified as diol  . It is also related to or classified as tetracyclic triterpenoid , oxo monocarboxylic acid .
The molecule [O-]C(=O)C1CCn2c1ccc2C(=O)c1ccccc1 [O-]C(=O)C1CCn2c1ccc2C(=O)c1ccccc1 is A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of ketorolac. The major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as amino-acid anion .
The molecule CN1C(=O)C23CC4(C(Nc5ccccc45)N2C(=O)C1(CO)SS3)n1cc(CC23SSC(CO)(N(C)C2=O)C(=O)N3C)c2ccccc12 CN1C(=O)C23CC4(C(Nc5ccccc45)N2C(=O)C1(CO)SS3)n1cc(CC23SSC(CO)(N(C)C2=O)C(=O)N3C)c2ccccc12 is an organic heteropentacyclic compound of the class of epipolythiodioxopiperazine. Isolated from Chaetomium globosum and Farrowia seminuda, it exhibits immunosuppressive activity. It has the role of immunosuppressive agent . It has the role of Chaetomium metabolite .  It is also related to or classified as organic disulfide  . It is also related to or classified as indoles , organic heteropentacyclic compound .
The molecule CC(=O)N[C@@H](CCSC)C(=O)O is an L-methionine derivative that is L-methionine in which one of the amine hydrogens is substituted by an acetyl group. It has a role as a nutraceutical. It is a N-acetyl-L-amino acid, a L-methionine derivative and a N-acetylmethionine. It is a conjugate acid of a N-acetyl-L-methionine(1-). It is an enantiomer of a N-acetyl-D-methionine.
The molecule C(CC/C=C\\C/C=C\\C/C=C\\C=C\\C(CCCC(=O)[O-])O)CCO is an icosanoid anion that is the conjugate base of 5,20-DiHETE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is an icosanoid anion, an omega-hydroxy fatty acid anion, a polyunsaturated fatty acid anion, a long-chain fatty acid anion and a dihydroxyicosatetraenoate. It is a conjugate base of a 5,20-DiHETE.
The molecule [H][C@@]1(O[C@H]2CC[C@@]3(C)C(C2)=CC[C@]2([H])[C@]3([H])CC[C@@]3(C)[C@@]2([H])C[C@]2([H])O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@]32O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O [H][C@@]1(O[C@H]2CC[C@@]3(C)C(C2)=CC[C@]2([H])[C@]3([H])CC[C@@]3(C)[C@@]2([H])C[C@]2([H])O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@]32O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A spirostanyl glycoside that is pennogenin attached to a beta-D-glucopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from the stem bark of Dracaena mannii, it exhibits anti-inflammatory  activity. It has the role of metabolite . It has the role of anti-inflammatory agent . Its functional parent is pennogenin . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as 17alpha-hydroxy steroid , spirostanyl glycoside , monosaccharide derivative .
The molecule OC(=O)[C@H]1CCn2c1ccc2C(=O)c1ccccc1 OC(=O)[C@H]1CCn2c1ccc2C(=O)c1ccccc1 is A 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid that has S configuration. While (S)-ketorolac is a COX1 and COX2 inhibitor, both enantiomers exhibit analgesic effects. Racemic ketorolac, known simply as ketorolac, is used (mainly as the tromethamine salt) as a potent analgesic for the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis. It has the role of non-steroidal anti-inflammatory drug . It has the role of analgesic . It has the role of cyclooxygenase 2 inhibitor . It has the role of cyclooxygenase 1 inhibitor . It is also related to or classified as 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid  .
The molecule C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@H](C=C1C)\C=C\C[C@H](C)\C=C(C)\CC(=O)\C=C/C2=O C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@H](C=C1C)\C=C\C[C@H](C)\C=C(C)\CC(=O)\C=C/C2=O is A  cytochalasan alkaloid found in Chaetomium globosum and Chaetomium subaffine. It has the role of Chaetomium metabolite .  It is also related to or classified as macrocycle  . It is also related to or classified as indoles , cytochalasan alkaloid .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OS(=O)(=O)O)O)O is an amino disaccharide that consists of 6-sulfated N-acetyl-beta-D-glucosamine having a 3-sulfated beta-D-galactosyl residue attached at position 4. It has a role as an epitope. It is an oligosaccharide sulfate and an amino disaccharide.
The molecule [H][C@]12OC(\C=C\C=C\C)=C3C4=CC(=O)C(C)(OC(=O)CC(C)O)C(=O)C4=CN(CC[C@@H]1O)[C@@]23[H] [H][C@]12OC(\C=C\C=C\C)=C3C4=CC(=O)C(C)(OC(=O)CC(C)O)C(=O)C4=CN(CC[C@@H]1O)[C@@]23[H] is A organic heterotetracyclic compound isolated from the fermentation broth of Trichoderma harzianum and exhibits anti-HIV activity. It has the role of metabolite . It has the role of anti-HIV agent . Its functional parent is 3-hydroxybutyric acid . It is also related to or classified as carboxylic ester  . It is also related to or classified as secondary alcohol  .    It is also related to or classified as enone  . It is also related to or classified as cyclic ether , organonitrogen heterocyclic compound , organic heterotetracyclic compound , beta-diketone .
The molecule OC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1 OC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1 is A 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid that has R configuration. Unlike the S-enantiomer, it does not exhibit COX1 and COX2 inhibition, but does exhibit analgesic activity. Racemic ketorolac, known simply as ketorolac, is used (mainly as a tromethamine salt) as a potent analgesic for the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis. It has the role of analgesic . It is also related to or classified as 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid  .
The molecule C1=2C=3C=4[C@](N(C[C@@H](C4)C(N[C@@H](CC)CO)=O)C)(CC1=CNC2C=CC3)[H].C(/C=C\C(O)=O)(O)=O C1=2C=3C=4[C@](N(C[C@@H](C4)C(N[C@@H](CC)CO)=O)C)(CC1=CNC2C=CC3)[H].C(/C=C\C(O)=O)(O)=O is Methylergonovine Maleate. It has the role of geroprotector . It is also related to or classified as ergoline alkaloid .
The molecule CC(C)CC1C(=C(C(=O)N1)C(=O)C)O is a pyrroline cyclic ketone that is an isomer of tenuazonic acid, a mycotoxin produced by various plant pathogenic fungi. It is a pyrroline and a cyclic ketone.
The molecule CCCCC(=O)C1=C(C(=C(C(=C1O)Cl)OC)Cl)O is a differentiation-inducing factor that is pentaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells. It has a role as a eukaryotic metabolite and a signalling molecule. It is a dichlorobenzene, a differentiation-inducing factor, a monomethoxybenzene and a member of resorcinols.
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O is a disaccharide that is alpha-D-galactopyranose in which the hydroxy group at position 6 has been converted into the corresponding alpha-L-fucoside. It is a glycoside and a glycosylgalactose. It derives from an alpha-D-galactose and an alpha-L-fucose.
The molecule COc1cc(O)c(C(=O)\C=C\c2ccccc2)c(OC)c1 COc1cc(O)c(C(=O)\C=C\c2ccccc2)c(OC)c1 is A member of the class of chalcones that consists of trans-chalcone substituted by hydroxy group at positions 2' and methoxy groups at positions 4' and 6'. Isolated from Piper methysticum and Piper rusbyi, it exhibits antileishmanial, anti-inflammatory and antineoplastic activities. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of antileishmanial agent . Its functional parent is trans-chalcone . It is also related to or classified as chalcones  . It is also related to or classified as phenols  . It is also related to or classified as dimethoxybenzene .
The molecule C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)CN)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=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)OP(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)C(N)=O)C(O)=O C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)CN)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=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)OP(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)C(N)=O)C(O)=O is an undecaprenyldiphospho-N-acetylmuramoyl peptide in which the peptide moiety is L-alanyl-D-isoglutaminyl-N(6)-glycyl-L-lysyl-D-alanyl-D-alanine. It is a conjugate acid of undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-(glycyl)-L-lysyl-D-alanyl-D-alanine(2-) . It is also related to or classified as undecaprenyldiphospho-N-acetylmuramoyl peptide .
The molecule C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@H](C=C1C)\C=C\C[C@H](C)\C=C(C)\CC\C=C/C2=O C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@H](C=C1C)\C=C\C[C@H](C)\C=C(C)\CC\C=C/C2=O is A  cytochalasan alkaloid found in Chaetomium globosum and Chaetomium subaffine. It has the role of Chaetomium metabolite .  It is also related to or classified as macrocycle  . It is also related to or classified as indoles , cytochalasan alkaloid .
The molecule C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3[N+](=O)[O-] is a member of the class of benzamides that is N-(2-nitrophenyl)benzamide substituted by a chloro group at position 2 and a piperidin-1-ylsulfonyl group at position 5. It is a member of benzamides, a C-nitro compound, a sulfonamide, a member of piperidines and a member of monochlorobenzenes.
The molecule CCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)c1O CCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)c1O is A polyphenol that is a phloroglucinol derivative isolated from the rhizomes of Dryopteris crassirhizoma and has been shown to exhibit radical scavenging and antibacterial activity. It has the role of metabolite . It has the role of antibacterial agent . It has the role of radical scavenger . Its functional parent is phloroglucinol . It is also related to or classified as polyphenol , beta-hydroxy ketone , aromatic ketone .
The molecule C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)CNC(=O)CNC(=O)CN)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=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)OP(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)C(N)=O)C(O)=O C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)CNC(=O)CNC(=O)CN)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=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)OP(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)C(N)=O)C(O)=O is an undecaprenyldiphospho-N-acetylmuramoyl peptide in which the peptide moiety is L-alanyl-D-isoglutaminyl-N(6)-triglycyl-L-lysyl-D-alanyl-D-alanine. It is a conjugate acid of undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-(glycyl)3-L-lysyl-D-alanyl-D-alanine(2-) . It is also related to or classified as undecaprenyldiphospho-N-acetylmuramoyl peptide .
The molecule C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@H](C=C1C)\C=C\C[C@H](C)\C=C(C)\[C@@H](O)C\C=C\C2=O C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@H](C=C1C)\C=C\C[C@H](C)\C=C(C)\[C@@H](O)C\C=C\C2=O is A cytochalasan alkaloid found in Chaetomium globosum. It has the role of antineoplastic agent . It has the role of Chaetomium metabolite .  It is also related to or classified as macrocycle  . It is also related to or classified as indoles , cytochalasan alkaloid .
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)CCCCC(=O)O)O is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of 3-oxooctanedioic acid. It is a conjugate acid of a 3-oxooctanedioyl-CoA(5-).
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCCC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O is an ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#20 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an (omega-1)-hydroxy fatty acid ascaroside and an ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester. It derives from an ascr#20.
The molecule CCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1O CCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1O is A polyphenol that is a phloroglucinol derivative isolated from the rhizomes of Dryopteris crassirhizoma and has been shown to exhibit radical scavenging and antibacterial activity. It has the role of metabolite . It has the role of antibacterial agent . Its functional parent is phloroglucinol . It is also related to or classified as polyphenol , methyl ketone , beta-hydroxy ketone , aromatic ketone .
The molecule Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O is A GDP-D-glucose(2-) having alpha-configuration at the anomeric centre. It is also related to or classified as ribonucleoside 5'-diphosphate-alpha-D-glucose(2-)  . It is also related to or classified as GDP-D-glucose(2-)  .
The molecule C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)\C=C(C)\[C@@H](O)C(=O)\C=C\C2=O)[C@H](O)[C@@]1(C)O C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)\C=C(C)\[C@@H](O)C(=O)\C=C\C2=O)[C@H](O)[C@@]1(C)O is A cytochalasan alkaloid found in Chaetomium globosum.( Compound class : cytochalasan alkaloid). It has the role of Chaetomium metabolite . It is also related to or classified as secondary alpha-hydroxy ketone  .  It is also related to or classified as macrocycle  . It is also related to or classified as indoles , cytochalasan alkaloid .