anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@@]12O[C@]3([H])C=C(C)CC[C@]3(C)[C@@](C)(C[C@H]1O)[C@]21CO1 [H][C@@]12O[C@]3([H])C=C(C)CC[C@]3(C)[C@@](C)(C[C@H]1O)[C@]21CO1 is A trichothecene mycotoxin produced by Fusarium graminearum. It is a biosynthetic precursor in the synthesis of T2-toxin. It has the role of fungal metabolite . It is also related to or classified as secondary alcohol  .  It is also related to or classified as trichothecene  . It is also related to or classified as organic heterotetracyclic compound .
The molecule C[C@H](C(=O)OC1C=CC(C=C1)(CC(=O)C(=O)O)C(=O)O)O is a carboxylic acid having D-lactic acid as the carboxylic acid component and a 3-hydroxycyclohexa-1,4-diene as the alcohol component. It is an oxo dicarboxylic acid and a lactate ester. It derives from a (R)-lactic acid.
The molecule N1/C(/C(/C2=C1C=CC=C2)=N/O)=C/3\C(NC4=C3C=CC=C4)=O N1/C(/C(/C2=C1C=CC=C2)=N/O)=C/3\C(NC4=C3C=CC=C4)=O is A member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It has the role of osteogenesis regulator . It has the role of neuroprotective agent . It has the role of anti-obesity agent . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It is also related to or classified as alkaloid  . It is also related to or classified as ketoxime  . It is also related to or classified as ring assembly , oxindoles , bisindole .
The molecule CCCCCCCCCCCCCCCCCCCCCCC(O)=O CCCCCCCCCCCCCCCCCCCCCCC(O)=O is A very long-chain fatty acid that is tricosane in which one of the methyl groups has been oxidised to the corresponding carboxylic acid. It has the role of plant metabolite . It has the role of human metabolite . It has the role of Daphnia magna metabolite . It is a conjugate acid of tricosanoate . It is also related to or classified as very long-chain fatty acid  . It is also related to or classified as straight-chain saturated fatty acid .
The molecule CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC3C=C(C)C)C is a extended flavonoid that is 6H,7H-chromeno[4,3-b]chromen-7-one which is substituted by a 2-methylprop-1-en-1-yl group at position 6, a 3-methylbut-2-en-1-yl group at position 11, and hydroxy groups at positions 3, 8, and 10. It is found in the bark of Morus species and has been reported to protect human neuronal cells derived from the human neuroblastoma SH-SY5Y cell line. It has a role as a protective agent and a plant metabolite. It is an organic heterotetracyclic compound, a polyphenol, a chromenochromene, an extended flavonoid and a cyclic ketone.
The molecule C[C@](CC1=CC(=C(C=C1)O)OC)(C(=O)O)N is an L-tyrosine derivative in which the tyrosine skeleton is substituted with a methoxy group at C-3 of the phenyl ring and with a methyl group at the alpha carbon. It can also be regarded as a 3-O-methyl,alpha-methyl derivative of L-dopa. It derives from an alpha-methyl-L-dopa.
The molecule C1=2NC(C=C3N=C(C=C4NC(=CC5=NC(=C1)C(=C5CCC(=O)[O-])C)C(=C4C)CCC(=O)[O-])C(=C3C)CCC(=O)[O-])=C(C2C)CCC(=O)[O-] C1=2NC(C=C3N=C(C=C4NC(=CC5=NC(=C1)C(=C5CCC(=O)[O-])C)C(=C4C)CCC(=O)[O-])C(=C3C)CCC(=O)[O-])=C(C2C)CCC(=O)[O-] is A cyclic tetrapyrrole anion obtained by deprotonation of the four carboxy groups of coproporphyrin III; major species at pH 7.3. It is also related to or classified as cyclic tetrapyrrole anion .
The molecule CCC(C)CCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO CCC(C)CCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO is A sphingoid that is hexadecasphingosine substituted at position 14 by a methyl group.  It is also related to or classified as sphingoid  . It is also related to or classified as aminodiol .
The molecule CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)N is a six amino acid oligopeptide fragment of the human milk protein, beta-casein. It has a role as a human metabolite. It is a conjugate acid of a beta-casomorphin-6 (human)(1-).
The molecule C=1(C(=CN=C(N1)N)CC=2C=3C=C[C@](OC3C(=C(C2)OC)OC)(C4CC4)[H])N C=1(C(=CN=C(N1)N)CC=2C=3C=C[C@](OC3C(=C(C2)OC)OC)(C4CC4)[H])N is A 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine in which the chiral centre has R configuration. It has the role of antibacterial drug . It has the role of EC 1.5.1.3 (dihydrofolate reductase) inhibitor . It is also related to or classified as 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine  .
The molecule NCCCC(N)C(O)=O NCCCC(N)C(O)=O is an alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5. It has the role of Escherichia coli metabolite . It has the role of human metabolite . It has the role of Daphnia magna metabolite . It has the role of algal metabolite . It is a conjugate acid of ornithinate . It is also related to or classified as non-proteinogenic alpha-amino acid .
The molecule CC(=O)NCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)O is a dipeptide that is the N-acetyl derivative of carnosine. It has a role as a metabolite. It derives from a carnosine.
The molecule C1[C@H]([C@H]([C@H](O[C@]1(C(=O)[O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)[C@@H](C[NH3+])O)O)O is a nucleotide-sugar oxoanion that is the conjugate base of CMP-8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid; major species at pH 7.3. It is a conjugate base of a CMP-8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid.
The molecule S(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@@H]4[C@@H](NC(=O)C)[C@H](O[C@@H]([C@@H]4O)CO)O)O[C@@H]([C@@H]3O)CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O)(O)(=O)=O S(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@@H]4[C@@H](NC(=O)C)[C@H](O[C@@H]([C@@H]4O)CO)O)O[C@@H]([C@@H]3O)CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O)(O)(=O)=O is [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C is a furoic acid that is furan-3-carboxylic acid substituted by a methyl group at position 4, a propyl group at position 5 and a 2-carboxyethyl group at position 2. It is a potent uremic toxin that has been found to accumulate in human serum of patients with chronic kidney diseases. It has a role as a uremic toxin and a human metabolite. It is a furoic acid and a dicarboxylic acid. It is a conjugate acid of a 3-carboxy-4-methyl-5-propyl-2-furanpropanoate.
The molecule C(=O)(C1=CC(=C(C=C1)O)O)[O-] C(=O)(C1=CC(=C(C=C1)O)O)[O-] is A dihydroxybenzoate having the two hydroxy groups located at the 3- and 4-positions. Its functional parent is benzoate . It is also related to or classified as dihydroxybenzoate  .
The molecule C([C@@H]1[C@H]([C@H](C(O1)[NH3+])O)O)OP(=O)([O-])[O-] is conjugate base of 5-phospho-D-ribosylamine having an anionic phosphate and a cationic amino group; major species at pH 7.3. It is a conjugate base of a 5-phospho-D-ribosylamine.
The molecule C[C@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)CO)C)O is a sesquiterpene lactone obtained by formal hydrogenation across the 11,13-double bond of lactucin. Found in chicory It has a role as a plant metabolite. It is an azulenofuran, a cyclic terpene ketone, an enone, a secondary alcohol, a sesquiterpene lactone and a primary alcohol. It derives from a lactucin.
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)C(O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[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]3NC(C)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)C(O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[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]3NC(C)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is an amino pentasaccharide comprising of beta-D-gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-gal-(1->4)-D-glc in which the D-glc residue is substituted by an alpha-L-Fuc group at position 3. It is found in human milk. It has the role of human metabolite . It is also related to or classified as amino pentasaccharide .
The molecule C=1(N2[C@](SCC1COC(N)=O)([C@@](C2=O)(NC(/C(=C\CC)/C=3N=C(SC3)N)=O)[H])[H])C(=O)O C=1(N2[C@](SCC1COC(N)=O)([C@@](C2=O)(NC(/C(=C\CC)/C=3N=C(SC3)N)=O)[H])[H])C(=O)O is A cephalosporin compound having (carbamoyloxy)methyl and N-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino side-groups. It is used (generally as the corresponnding pivaloyloxymethyl ester prodrug) as an oral antibacterial. It has the role of antibacterial drug . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as cephalosporin  . It is also related to or classified as carboxylic acid  .  It is also related to or classified as enamide  . It is also related to or classified as carbamate ester , 1,3-thiazoles .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO is an amino disaccharide consisting of a 2-acetamido-2-deoxy-alpha-D-galactopyranose residue and a D-galactopyranose residue joined in sequence by a (1->4) glycosidic bond. It is also related to or classified as amino disaccharide , glycosylgalactose derivative .
The molecule C(CCN)C[C@H](C(=O)O)N is the D-enantiomer of the alpha-amino acid lysine. It has a role as a bacterial metabolite and a fungal metabolite. It is a lysine and a D-alpha-amino acid. It is a conjugate base of a D-lysinium(1+). It is a conjugate acid of a D-lysinate. It is an enantiomer of a L-lysine.
The molecule C[C@@H](CCCC(C)C)COS(=O)(=O)[O-] is the (S)-enantiomer of 2,6-dimethylheptyl sulfate. It has been isolated from Daphnia pulex. It is a conjugate base of a (2S)-2,6-dimethylheptyl hydrogen sulfate. It is an enantiomer of a (2R)-2,6-dimethylheptyl sulfate.
The molecule C=1C2=C(C=C(C(ON3C4=C(N=N3)C=CC=C4)=O)C1)C=CN2 C=1C2=C(C=C(C(ON3C4=C(N=N3)C=CC=C4)=O)C1)C=CN2 is Benzotriazol-1-yl 1H-indole-5-carboxylate. It has the role of anticoronaviral agent . It is also related to or classified as indolyl carboxylic acid .
The molecule CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety. It has a role as a phenothiazine antipsychotic drug, an antiemetic, a dopaminergic antagonist, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor and an anticoronaviral agent. It is a member of phenothiazines, an organochlorine compound and a tertiary amine.
The molecule C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.O.O.Cl is a hydrate that is the dihydrate of amiloride hydrochloride. It has a role as a diuretic and a sodium channel blocker. It contains an amiloride hydrochloride.
The molecule COc1cc(cc(OC)c1OC)C(F)(F)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCCc1ccccc1)CCCc1cccnc1 COc1cc(cc(OC)c1OC)C(F)(F)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCCc1ccccc1)CCCc1cccnc1 is fkb-001. Its functional parent is L-pipecolate ester . It is also related to or classified as organofluorine compound  .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4 is N-[(3R,9R,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]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]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(=C(OC)C=C(OC)C2)C(=O)/C=C/C3=C(OC)C=C(OC)C=C3)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(=C(OC)C=C(OC)C2)C(=O)/C=C/C3=C(OC)C=C(OC)C=C3)CO is 4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
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)CC4CC4 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)CC4CC4 is N-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]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 COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC(=O)O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O is a secoiridoid glycoside that is [(2R,3R,4S)-2-hydroxy-5-(methoxycarbonyl)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]acetic acid in which the anometric hydroxy group has been converted to the corresponding beta-D-glucoside. It has been isolated from several plant species and exhibits antioxidant and anti-allergic properties. It has a role as a plant metabolite, an antioxidant and an anti-allergic agent. It is a methyl ester, a member of pyrans, an enoate ester, a beta-D-glucoside, a monosaccharide derivative, a dicarboxylic acid monoester and a secoiridoid glycoside.
The molecule CNc1ncnc2[nH]cnc12 CNc1ncnc2[nH]cnc12 is A methyladenine that is 9H-purin-6-amine substituted by a methyl group at the amino nitrogen. It has the role of human metabolite . It is also related to or classified as 6-alkylaminopurine  . It is also related to or classified as methyladenine .
The molecule C1[C@@H]([C@H](OC1O)COP(=O)(O)O)O is the furanose form of 2-deoxy-D-ribose 5-phosphate. It derives from a D-ribose. It is a conjugate acid of a 2-deoxy-D-ribofuranose 5-phosphate(2-).
The molecule CC=C=C CC=C=C is buta-1,2-diene. It is also related to or classified as allenes  . It is also related to or classified as butadiene  .
The molecule O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(O)C(O)=C(C=C2)C(=O)/C=C/C3=CC(OC)=C(OC)C=C3)CO O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(O)C(O)=C(C=C2)C(=O)/C=C/C3=CC(OC)=C(OC)C=C3)CO is Okanin 3,4-dimethyl ehter 4'-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC1=CC=C(C=C1)S(=O)(=O)NCC(CN2CCC2)C3=CN=CC=C3 is a member of the class of azetidines that is propylazetidine substituted by a 3-pyridyl group position 2 and a 4-toluenesulfonamido group at position 3. It is a member of azetidines, a member of pyridines and a sulfonamide.
The molecule [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O is A C20-gibberellin, initially identified in Gibberella fujikuroi, in which the gibbane skeleton carries 1beta- and 4aalpha-methyl groups, 1alpha- and 10beta-carboxy substituents, and a methylene group at C-8 (all gibbane numberings). It is a conjugate acid of gibberellin A12(2-) . It is also related to or classified as C20-gibberellin , dicarboxylic acid .
The molecule CNCC1=CNC2=CC=CC=C21 is an aminoalkylindole that is indole carrying a methylaminomethyl substituent at postion 3. It has a role as a plant metabolite. It is an aminoalkylindole, a secondary amino compound and an indole alkaloid.
The molecule C[S@](=O)CC[C@H]([NH3+])C([O-])=O C[S@](=O)CC[C@H]([NH3+])C([O-])=O is zwitterionic form of L-methionine (S)-S-oxide. It is also related to or classified as amino-acid zwitterion .
The molecule O1[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O)C O1[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O)C is A deoxytalose that is beta-L-talopyranose in which the hydroxy group at position 6 has been replaced by a hydrogen. It is also related to or classified as deoxytalose .
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=CC=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=CC=C3 is 4-(dimethylamino)-N-[(3S,9R,10S)-12-[(2S)-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 C=C1C[C@@]23C[C@H]1CC[C@]3([C@@]4(C[C@@H](C[C@@]([C@]4([C@@H]2C(=O)O)[H])(C)C(O)=O)O)C)[H] C=C1C[C@@]23C[C@H]1CC[C@]3([C@@]4(C[C@@H](C[C@@]([C@]4([C@@H]2C(=O)O)[H])(C)C(O)=O)O)C)[H] is A C20-gibberellin that is gibberellin A12 carrying an additional hydroxy substituent at the 3beta-position. It has the role of plant metabolite . Its functional parent is gibberellin A12 .  It is also related to or classified as secondary alcohol  . It is also related to or classified as C20-gibberellin , dicarboxylic acid , olefinic compound .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)([O-])OP(=O)([O-])O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is an N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate(2-) in which the anomeric centre connected to the diphosphate group has alpha-configuration. It is a conjugate base of a N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate.
The molecule O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3O)C4=CC(O)=C(O)C=C4)CO O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3O)C4=CC(O)=C(O)C=C4)CO is Gossypetin 3-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [C@H]1([C@H]([C@H](O)[C@H](O[C@@H]1OCC(CCNC2=C3N=CN([C@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)C3=NC=N2)C)CO)O)O [C@H]1([C@H]([C@H](O)[C@H](O[C@@H]1OCC(CCNC2=C3N=CN([C@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)C3=NC=N2)C)CO)O)O is an N-glycosyldihydrozeatin consisting of dihydrozeatin carrying two alpha-D-glucosyl on the oxygen and the nitrogen at position 9 in the purine ring. It has the role of Arabidopsis thaliana metabolite . It is also related to or classified as alpha-D-glucoside  . It is also related to or classified as N-glycosyldihydrozeatin .
The molecule CC(C)C(C(C[C@@](C)([C@H]1CC[C@@H]\\2[C@@]1(CCC/C2=C\\C=C/3\\C[C@H](CCC3=C)O)C)O)O)O is a hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration), 23 and 24. It has a role as a human metabolite and a rat metabolite. It is a hydroxycalciol, a member of D3 vitamins and a tetrol.
The molecule CC(C)(O)[C@H](O)CC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C CC(C)(O)[C@H](O)CC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C is A  cucurbitacin that is 9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5-diene substituted by hydroxy groups at positions 2, 16, 20, 24 and 25 and oxo groups at positions 1, 11 and 22. It has the role of plant metabolite . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as cucurbitacin .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F is N-[[(3S,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC is Heptatriacontanoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC=CC(=C3)C4=CC=CC=N4.O.Cl is a hydrochloride and hydrate of DRF053, an analogue (and more potent version) of roscovitine - it is 2 fold more potent against cyclin dependent kinase 5 (CDK5) and >150 times more potent against CDK1. Formula C23H27N7O.xHCl.yH2O. It has a role as an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a hydrochloride and a hydrate. It contains a (R)-DRF053.
The molecule OC(=O)CCC1NC(=O)NC1=O OC(=O)CCC1NC(=O)NC1=O is A imidazolidine-2,4-dione that is hydantoin substituted by a 2-carboxyethyl group at position 4. It has the role of metabolite . It has the role of mouse metabolite . Its functional parent is hydantoin . It is a conjugate acid of hydantoin-5-propionate . It is also related to or classified as imidazolidine-2,4-dione , monocarboxylic acid .
The molecule C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N is a triazene derivative that is triazene in which each of the terminal nitrogens is substituted by a 4-carbamimidoylphenyl group. It has a role as an antiparasitic agent and a trypanocidal drug. It is a triazene derivative and a carboxamidine. It is a conjugate base of a diminazene(2+).
The molecule CC(=CCC/C(=C/CC/C(=C/C=C\\C=C(\\CC/C=C(/CCC=C(C)C)\\C)/C)/C)/C)C is a 4,4'-diapophytoene in which the double bond at position 15 has Z- (cis-) geometry, while those at positions 9, 13, 9' and 13' have E- (trans-) geometry.
The molecule C1(NC(C(N1)CCC(=O)[O-])=O)=O C1(NC(C(N1)CCC(=O)[O-])=O)=O is A monocarboxylic acid anion that is the conjugate base of hydantoin-5-propionic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of mouse metabolite . It is also related to or classified as monocarboxylic acid anion  .
The molecule C=CCSC[C@@H](C(=O)O)N is an S-hydrocarbyl-L-cysteine that is L-cysteine in which the hydrogen attached to the sulphur is replaced by a prop-2-enyl group. It commonly occurs in garlic and has been found to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a tautomer of a S-allylcysteine zwitterion.
The molecule O(C1C(O)C(O)C(OC1OC2=C(C=3OC(=C(OC4OC(C(O)C(O)C4OC5OC(O)C(O)C(O)C5O)C)C(=O)C3C=C2)C6=CC=C(O)C=C6)CC=C(C)C)CO)C7OC(C(O)C(O)C7O)CO O(C1C(O)C(O)C(OC1OC2=C(C=3OC(=C(OC4OC(C(O)C(O)C4OC5OC(O)C(O)C(O)C5O)C)C(=O)C3C=C2)C6=CC=C(O)C=C6)CC=C(C)C)CO)C7OC(C(O)C(O)C7O)CO is Hexandraside C. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)C3CCCCC3 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)C3CCCCC3 is N-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C is a one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161℃). It has a role as a fossil fuel, a member of greenhouse gas and a bacterial metabolite. It is a mononuclear parent hydride, a one-carbon compound, a gas molecular entity and an alkane. It is a conjugate acid of a methanide.
The molecule N=1C=2C(N(C1)[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(NCCC(CO)C)N=CN2 N=1C=2C(N(C1)[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(NCCC(CO)C)N=CN2 is an N-glycosyldihydrozeatin in which the glycosyl fragment is an alpha-D-glucopyranosyl residue located at position 7. It has the role of Arabidopsis thaliana metabolite . It is also related to or classified as N-glycosyldihydrozeatin .