anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC[C@H]2O OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC[C@H]2O is A member of the class of coformycins that is coformycin in which the hydroxy group at position 2' is replaced with a hydrogen. It is a drug used for the treatment of hairy cell leukaemia. It has the role of antimetabolite . It has the role of antineoplastic agent . It has the role of EC 3.5.4.4 (adenosine deaminase) inhibitor . It has the role of Aspergillus metabolite . It has the role of bacterial metabolite . It is also related to or classified as coformycins .
The molecule C1=2NC(C=C3N=C(C=C4NC(=CC5=NC(=C1)C(=C5CC(=O)[O-])CCC([O-])=O)C(=C4CC(=O)[O-])CCC(=O)[O-])C(=C3CC(=O)[O-])CCC(=O)[O-])=C(C2CC(=O)[O-])CCC(=O)[O-] C1=2NC(C=C3N=C(C=C4NC(=CC5=NC(=C1)C(=C5CC(=O)[O-])CCC([O-])=O)C(=C4CC(=O)[O-])CCC(=O)[O-])C(=C3CC(=O)[O-])CCC(=O)[O-])=C(C2CC(=O)[O-])CCC(=O)[O-] is A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy groups of uroporphyrin I; major species at pH 7.3. It is also related to or classified as cyclic tetrapyrrole anion .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)O)NC(=O)C)O)O is a pentasaccharide consisting of four rhamnose residues (one at the reducing end) and one N-acetylglucosamine residue in a linear sequence, joined via alpha-linkages. It has a role as an epitope.
The molecule CC(C)(CCC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)O is a member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4' and a 3-hydroxy-3-methylbutyl moiety at position 3'. Isolated from the root barks of Brosimum utile, it exhibits cytotoxicity against cell lines like MCF7 (human breast carcinoma), PC3 (human prostate carcinoma), HT29 (human colon cancer) and human dermis fibroblasts. It has a role as a metabolite and an antineoplastic agent. It is a tertiary alcohol and a member of 7-hydroxyisoflavones.
The molecule C(CCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] C(CCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] is A sphingomyelin 33:1 obtained by formal condensation of the carboxy group of heptadecanoic acid with the amino group of hexadecasphingosine-1-phosphocholine. It has the role of Papio hamadryas metabolite . Its functional parent is heptadecanoic acid . Its functional parent is hexadecasphing-4-enine . It is also related to or classified as sphingomyelin 33:1  .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCC/C=C/C(=O)[O-])O)O is a hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#17, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an oscr#17.
The molecule [H][C@@](C)(O)[C@](O)(C=O)[C@@]([H])(O)C=O [H][C@@](C)(O)[C@](O)(C=O)[C@@]([H])(O)C=O is streptose. Its functional parent is aldehydo-L-lyxose . It is also related to or classified as deoxypentose  .
The molecule COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O is A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. It has the role of mutagen . It has the role of gout suppressant . It has the role of anti-inflammatory agent . It is also related to or classified as colchicine  . It is also related to or classified as alkaloid  .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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-])O)O is an (R)-3-hydroxyacyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA.
The molecule C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C is an anhydrohexose derivative that is the 1,6-anhydro-derivative of N-acetyl-beta-muramic acid. It derives from a N-acetyl-beta-D-muramic acid. It is a conjugate acid of a 1,6-anhydro-N-acetyl-beta-muramate.
The molecule Clc1ccc(Cl)c(-c2ccccc2)c1Cl Clc1ccc(Cl)c(-c2ccccc2)c1Cl is A trichlorobiphenyl that is 1,2,4-trichlorobenzene in which the hydrogen at position 3 has been replaced by a phenyl group. It is also related to or classified as trichlorobenzene  . It is also related to or classified as trichlorobiphenyl .
The molecule N=1C(=CC=C(C1COCCOC)C(=O)C=2C([C@H]3CC[C@@H](C2O)C3)=O)C(F)(F)F N=1C(=CC=C(C1COCCOC)C(=O)C=2C([C@H]3CC[C@@H](C2O)C3)=O)C(F)(F)F is A member of the class of pyridines that is pyridine which is substituted at positions 2, 3, and 6 by (2-methoxyethoxy)methyl, (2-hydroxy-4-oxobicyclo[3.2.1]oct-2-en-3-yl)carbonyl, and trifluoromethyl groups, respectively. It is a broad-spectrum herbicide developed by Syngenta and used for the pre- and post-emergence control of weeds in corn. It has the role of carotenoid biosynthesis inhibitor . It has the role of herbicide . It has the role of agrochemical . It is also related to or classified as ether  .  It is also related to or classified as enol  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as enone  . It is also related to or classified as pyridines , carbobicyclic compound , beta-diketone , aromatic ketone .
The molecule C[C@@H](C(=O)N[C@H](CCC(=O)NCCCC[C@H](C(=O)O)N)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C is a UDP-glycopeptide in which the glycopeptide component consists of N(6)-(N-acetyl-alpha-D-muramoyl-L-alanyl-D-gamma-glutamyl)-D-lysine, joined to UDP via a glycosyl diphosphate bond. It is a conjugate acid of a N(6)-(UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-gamma-glutamyl)-D-lysine(3-).
The molecule C1COCCN1P(=O)(N2CCOCC2)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F is an organofluorine compound, a phosphinamidate and a member of morpholines. It has a role as a nonionic surfactant.
The molecule C[C@H](CC/C=C(/C)\\CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C is a cholestanoid that is desmosterol carrying an additional hydroxy susbstituent at position 26. It has a role as a mouse metabolite and a human metabolite. It is a cholestanoid, a 3beta-hydroxy-Delta(5)-steroid, a 26-hydroxy steroid, a primary allylic alcohol and a C27-steroid. It derives from a desmosterol.
The molecule CC1=C(C(=CC=C1)C(=O)O)C is a dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 3. It derives from a benzoic acid. It is a conjugate acid of a 2,3-dimethylbenzoate.
The molecule C[C@H]1CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C C[C@H]1CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C is LSM-41146. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCC(C)C1NC(=O)C(NC(=O)C2=C(OC(=N2)C2=CSC(=N2)C2=CSC(=N2)C2=C(C)OC(=N2)C2=COC(CNC1=O)=N2)C1=CC=CC=C1)C(C)CC CCC(C)C1NC(=O)C(NC(=O)C2=C(OC(=N2)C2=CSC(=N2)C2=CSC(=N2)C2=C(C)OC(=N2)C2=COC(CNC1=O)=N2)C1=CC=CC=C1)C(C)CC is an azamacrocycle obtained from a core peptide of sequence Phe-Ile-Ile-Gly-Ser-Thr-Cys-Cys encoded in the genome of several Streptomyces species. It exhibits potent cytotoxic activity against HCT116 and HOS cancer cells. It has the role of antineoplastic agent . It has the role of bacterial metabolite . It is also related to or classified as benzenes , heterodetic cyclic peptide , 1,3-thiazoles , 1,3-oxazoles , azamacrocycle .
The molecule C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)F is a member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and 4-fluorophenyl groups, respectively. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine to treat pain and inflammation in dogs with degenerative joint disease. It has a role as a non-steroidal anti-inflammatory drug, a cyclooxygenase 2 inhibitor and a non-narcotic analgesic. It is a sulfonamide, an organofluorine compound and a member of pyrazoles.
The molecule COc1ccc(c(O)c1)-c1coc2cc([O-])ccc2c1=O COc1ccc(c(O)c1)-c1coc2cc([O-])ccc2c1=O is A flavonoid oxoanion that is the conjugate base of 2'-hydroxyformononetin, obtained by deprotonation of the 7-hydroxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as flavonoid oxoanion .
The molecule CSCCC(C(=O)NC1=CC2=CC=CC=C2C=C1)N is a methionine derivative that is the amide obtained by formal condensation of the carboxy group of methionine with the amino group of 2-naphthylamine. It is a N-(2-naphthyl)carboxamide, an amino acid amide and a methionine derivative.
The molecule [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2 [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2 is A  sapogenin that is spirostan which is substituted by a hydroxy group at the 3beta position, contains a double bond at the 5-6 position, and has R- configuration at position 25. A natural product found in Dioscorea (wild yam) species, it is used as the starting point for the commercial synthesis of a number of steroids, including cortisone, pregnenolone and progesterone. It has the role of antiviral agent . It has the role of metabolite . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It is also related to or classified as sapogenin  . It is also related to or classified as 3beta-sterol  . It is also related to or classified as hexacyclic triterpenoid , spiroketal .
The molecule CCOC(=O)C1(CCN(CC1)CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccc1 CCOC(=O)C1(CCN(CC1)CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccc1 is A piperidinecarboxylate ester that is the ethyl ester of difenoxin. It has the role of antidiarrhoeal drug . Its functional parent is difenoxin . It is also related to or classified as nitrile  . It is also related to or classified as ethyl ester  . It is also related to or classified as tertiary amine  . It is also related to or classified as piperidinecarboxylate ester .
The molecule O[C@]12[C@@]([C@@]3([C@@](CC1)(CC4=C3NC=5C4=CC6=C(C5)C=7[C@]([C@@H]6O)(C(OC(C7)(C)C)(C)C)[H])[H])C)(CC[C@@]8(O[C@@H]([C@H](O)C=C28)C(C)=C)[H])C O[C@]12[C@@]([C@@]3([C@@](CC1)(CC4=C3NC=5C4=CC6=C(C5)C=7[C@]([C@@H]6O)(C(OC(C7)(C)C)(C)C)[H])[H])C)(CC[C@@]8(O[C@@H]([C@H](O)C=C28)C(C)=C)[H])C is 2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-Hexadecahydro-10,10,12,12,15b,15c-hexamethyl-2-(1-methylethenyl)-4bH-1-benzopyrano(5',6':6,7)indeno(1,2-b)pyrano(4',3':3,4)cyclopent(1,2-f)indole-3,4b,9-triol. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C(C(=O)O)N=C(N)NP(=O)(O)O is a guanidinoacetate having a phospho group attached to the primary amino part of the guanidine moiety. It is a phosphoramide and a member of guanidinoacetic acids. It is a conjugate acid of a phosphonatoguanidiniumylacetate(2-).
The molecule O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(=O)NC(CC=5C=6C(NC5)=CC=CC6)C(O)=O)C)[H])[H])C O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(=O)NC(CC=5C=6C(NC5)=CC=CC6)C(O)=O)C)[H])[H])C is Tryptophan conjugated cholic acid. It is also related to or classified as bile acid glycine conjugate .
The molecule [H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCCCC [H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCCCC is an amide formed between benzylpenicillin and butylamine. Its functional parent is benzylpenicillin . It is a conjugate acid of benzylpenicilloyl-butylamine(1-) . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as thiazolidinemonocarboxylic acid .
The molecule C(=O)([C@@H](NC(=O)C)CCSC)N[C@H](C(=O)O)C(C)C C(=O)([C@@H](NC(=O)C)CCSC)N[C@H](C(=O)O)C(C)C is A dipeptide obtained by formal condensation of the carboxy group of N-acetyl-L-methionine with the amino group of L-valine. It is also related to or classified as acetamide  . It is also related to or classified as dipeptide  .
The molecule C[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C([O-])=O C[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C([O-])=O is A L-histidine derivative that is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine in which the hydrogen at position 2 on the imdazole ring is replaced by a thioxo group. It has the role of xenobiotic metabolite . It has the role of plant metabolite . It has the role of fungal metabolite . It is also related to or classified as 1,3-dihydroimidazole-2-thiones  . It is also related to or classified as amino-acid betaine , L-histidine derivative .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)NC(=O)C)O)O is an amino tetrasaccharide comprising an acetylated glucosamine residue and three alpha-L-rhamnose residues, one of which is at the reducing end.
The molecule CC(CC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC[C@]5([C@H]4CC[C@@]6([C@@H]5CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CCCC8(C)C)C)C)C)C is a bacterial hopanoid obtained by addition of an adenosyl group across the double bond of hopene. It has a role as a bacterial metabolite. It is a hopanoid and a member of adenosines.
The molecule CCCCCC(CCCCCCCCCCCC(=O)[O-])O is an hydroxy saturated fatty acid anion that is the conjugate base of 13-hydroxydecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 13-hydroxyoctadecanoic acid.
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)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is a polyprenyl glycosyl phosphate having alpha-D-galactopyranose as the glycosyl fragment. It is a conjugate acid of an alpha-D-galactosyl undecaprenyl diphosphate(2-).
The molecule [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)C)C)(F)F is a BODIPY dye and a pyrrolidinone. It has a role as a fluorochrome. It derives from a 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene.
The molecule C(CCCCCCCCCC/C=C/C([O-])=O)C(C)C C(CCCCCCCCCC/C=C/C([O-])=O)C(C)C is (2E)-isoheptadecenoate(1-).  It is also related to or classified as monounsaturated fatty acid anion  . It is also related to or classified as methyl-branched fatty acid anion .
The molecule c1cn2ccnc2cn1 c1cn2ccnc2cn1 is imidazo[1,2-a]pyrazine. It is also related to or classified as imidazopyrazine  . It is also related to or classified as polycyclic heteroarene , azaarene .
The molecule COC1=CC(=CC(=C1OC)OC)/C=C/CO is a phenylpropanoid that is (E)-cinnamyl alcohol substituted by methoxy groups at positions 3, 4 and 5 respectively. It is a phenylpropanoid, a primary alcohol and a member of methoxybenzenes. It derives from an (E)-cinnamyl alcohol.
The molecule ClCCNC(=O)N(CCCl)N=O ClCCNC(=O)N(CCCl)N=O is A member of the class of N-nitrosoureas that is 1,3-bis(2-chloroethyl)urea in which one of the nitrogens is substituted by a nitroso group. It has the role of alkylating agent . It has the role of antineoplastic agent . It is also related to or classified as organochlorine compound  . It is also related to or classified as N-nitrosoureas .
The molecule O=C=S O=C=S is A one-carbon compound in which the carbon atom is attached to an oxygen and a sulfur atom via double bonds. It is also related to or classified as organosulfur compound , one-carbon compound .
The molecule C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@H]4CN(CCCCN4[C@@H]3CO)C(=O)NC5=CC=CC=C5F C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@H]4CN(CCCCN4[C@@H]3CO)C(=O)NC5=CC=CC=C5F is (8S,9S,10S)-9-[4-(1-cyclohexenyl)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 CC1=C(C(C[C@@H](C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C)C=O is a beta-D-glucoside of beta-cyclocitral; the precursor of safranal. It is the compound most responsible for the bitter taste of saffron. It derives from a beta-cyclocitral.
The molecule C([C@@H](C(=O)[O-])[NH3+])C(=O)[O-] is an aspartate(1-) that is the conjugate base of L-aspartic acid. It has a role as a human metabolite and a fundamental metabolite. It is an aspartate(1-) and a polar amino acid zwitterion. It is a conjugate base of a L-aspartic acid. It is a conjugate acid of a L-aspartate(2-). It is an enantiomer of a D-aspartate(1-).
The molecule [H][C@@]12CC[C@](O)([C@@](C)(O)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C [H][C@@]12CC[C@](O)([C@@](C)(O)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C is an oxysterol that is cholesterol substituted by hydroxy groups at positions 17 and 20 (the 20S-stereoisomer). Its functional parent is cholesterol .  It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  .  It is also related to or classified as 3beta-sterol  . It is also related to or classified as C27-steroid , 17alpha-hydroxy steroid , 20-hydroxy steroid , cholestanoid , oxysterol .
The molecule C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)C)NC=O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)NC=O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)NC=O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)C)NC=O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)C)NC=O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)C)NC=O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)C)NC=O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)C)NC=O)O)O)O)O)NC=O is an amino nonasaccharide consisting of nine N-formyl-alpha-D-perosamine residues linked sequentially (1->2), (1->2), (1->2), (1->3), (1->2), (1->2), (1->2) and (1->2).
The molecule [H][C@]1(CO)CO1 [H][C@]1(CO)CO1 is (S)-glycidol. Its functional parent is (S)-1,2-epoxypropane . It is also related to or classified as glycidol  .
The molecule CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C[C@]34C)C is a 2-oxo steroid that is a derivative of pregnane obtained by the loss of a methylene group. It is a 2-oxo steroid and a 20-oxo steroid.
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,9S,10R)-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 NC(=O)OP(O)(O)=O NC(=O)OP(O)(O)=O is carbamoyl phosphate. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of carbamoyl phosphate(2-) . It is also related to or classified as acyl monophosphate  . It is also related to or classified as one-carbon compound .
The molecule C1=CC=C2C=NN=CC2=C1 is an azaarene that is the 2,3-diaza analogue of naphthalene. The parent of the class of phthalazines. It is a mancude organic heterobicyclic parent, a member of phthalazines, an azaarene and an ortho-fused heteroarene.
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O is a D-galactopyranose 1-phosphate having alpha-configuration at the anomeric centre. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a D-galactopyranose 1-phosphate and an alpha-D-hexose 1-phosphate. It derives from an alpha-D-galactose. It is a conjugate acid of an alpha-D-galactose 1-phosphate(2-).
The molecule O([C@@H]1[C@@H](N)C[C@@H](N)[C@H](O)[C@H]1O)[C@H]2O[C@@H]([C@@H](O)C[C@H]2N)C=O O([C@@H]1[C@@H](N)C[C@@H](N)[C@H](O)[C@H]1O)[C@H]2O[C@@H]([C@@H](O)C[C@H]2N)C=O is 6'-Oxolividamine. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O is a 5'-deoxyribonucleoside compound having adenosine as the nucleobase. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a 5'-deoxyribonucleoside and a member of adenosines. It derives from an adenosine.
The molecule CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C is an organothiophosphate insecticide, an organic phosphonate, a phosphonic ester, a member of salicylates and an isopropyl ester. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical. It derives from an isopropyl salicylate.
The molecule OC[C@H]1OC(O)(COP(O)(O)=O)[C@@H](O)[C@@H]1O OC[C@H]1OC(O)(COP(O)(O)=O)[C@@H](O)[C@@H]1O is the furanose form of D-fructose 1-phosphate. It is a conjugate acid of D-fructofuranose 1-phosphate(2-) . It is also related to or classified as D-fructose 1-phosphate .
The molecule CC1=C(C(=CC=C1)N=C=O)C is an isocyanate that consists of phenyl isocyanate bearing two additional methyl substituents at positions 2 and 3. It has a role as a hapten.
The molecule CC\C=C/CCCC(O)=O CC\C=C/CCCC(O)=O is an olefinic fatty acid that is octanoic acid carrying a double bond at position 5 (the 5Z-isomer). It has the role of flavouring agent . It has the role of animal metabolite . It has the role of plant metabolite .    It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as monounsaturated fatty acid , olefinic fatty acid , straight-chain fatty acid .
The molecule CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC is phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse. It is a member of phenols and a member of methoxybenzenes.
The molecule [Na+].[H][C@]1(N[C@@H](C([O-])=O)C(C)(C)S1)[C@H](NC(=O)CC1=CC=CC=C1)C(=O)NCCCC [Na+].[H][C@]1(N[C@@H](C([O-])=O)C(C)(C)S1)[C@H](NC(=O)CC1=CC=CC=C1)C(=O)NCCCC is the organic sodium salt of the (5R,6R)-benzylpenicilloyl-butylamine conjugate. It is also related to or classified as organic sodium salt .
The molecule C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)CO is a monocarboxylic acid that is prop-2-en-1-ol acid which is substituted at position 2 by a 4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl group (the 1S,4R,4aS,8aR diastereoisomer). It is a sesquiterpenoid precursor of artemisinin, obtained from sweet wormwood, Artemisia annua. It is a carbobicyclic compound, a sesquiterpenoid, a primary allylic alcohol and a member of octahydronaphthalenes.
The molecule C(CCCCCC[C@H]1C(C[C@H]([C@@H]1CCC(CCCCC)=O)O)=O)([O-])=O C(CCCCCC[C@H]1C(C[C@H]([C@@H]1CCC(CCCCC)=O)O)=O)([O-])=O is A prostaglandin carboxylic acid anion that is the conjugate base of 13,14-dihydro-15-oxoprostaglandin E1, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as prostaglandin carboxylic acid anion .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=CC=C4 C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=CC=C4 is N-[(3R,9S,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]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .