anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(\C=C/C=C/C=C/[C@H]([C@@H](O)CCCC(=O)O)SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O)CCCCCCC C(\C=C/C=C/C=C/[C@H]([C@@H](O)CCCC(=O)O)SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O)CCCCCCC is A leukotriene that is (5S,7E,9E,11Z)-5-hydroxyicosa-7,9,11-trienoic acid in which a glutathionyl group is attached at position 6 via a sulfide linkage. It has the role of mouse metabolite . It has the role of rat metabolite . It is a conjugate acid of leukotriene C3(2-) . It is also related to or classified as organic sulfide  .  It is also related to or classified as leukotriene  . It is also related to or classified as glutathione derivative .
The molecule O=C(O[C@@H](CC(=O)O)C)C1=C(O)C=C(OC)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C2=C(O)C=C(O)C=C2C[C@H](OC(=O)C[C@H](O)C)C)C)C O=C(O[C@@H](CC(=O)O)C)C1=C(O)C=C(OC)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C2=C(O)C=C(O)C=C2C[C@H](OC(=O)C[C@H](O)C)C)C)C is Calcaride E. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C1=CC=NC(=C1)C2=CC=CC=N2 is a bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'. It has a role as a ligand.
The molecule O1C2CC3C4(C(CC(=O)C3C(C2)C1=O)C(OC(C4)C=5C=COC5)=O)C O1C2CC3C4(C(CC(=O)C3C(C2)C1=O)C(OC(C4)C=5C=COC5)=O)C is Diosbulbin D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H]O[Te](O[H])(O[H])(O[H])(O[H])O[H] [H]O[Te](O[H])(O[H])(O[H])(O[H])O[H] is orthotelluric acid. It is a conjugate acid of orthotellurate(1-) . It is also related to or classified as tellurium oxoacid .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](OC2O)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)N)O)O)O is a branched amino trisaccharide consisting of D-galactose having an alpha-L-fucosyl residue at the 2-position and an alpha-D-galactosaminyl residue at the 3-position. It is an amino trisaccharide and a galactosamine oligosaccharide.
The molecule C1CN(CCC1C(=O)NCC(=O)N2CCC(CC2)C(=O)NCCOCCOCCC(=O)NC(CCCCNC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)N)C(=O)CCOCCOCCNC(=O)CCCC4=CNC5=CC=CC=C54 is a tripeptide that consists of a glycine residue flanked by two piperidine-4-carboxylic acid units (connected via amide linkages) where the amino terminus is acylated by a 3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl group and the carboxy terminus is formally condensed with the amino group of 3-[2-(2-aminoethoxy)ethoxy]propanoic acid, the carboxy group of which is in turn formally condensed with the alpha-amino group of N(6)-5-nitrofuroyllysine. It is a C-nitro compound, a member of furans, a member of indoles, a polyether and a tripeptide.
The molecule [H]O[Te]([O-])([O-])([O-])([O-])[O-] [H]O[Te]([O-])([O-])([O-])([O-])[O-] is orthotellurate(5-). It is a conjugate acid of orthotellurate(6-) . It is also related to or classified as orthotellurate ion .
The molecule CC1(C)C(C(O)=O)C1(C)C CC1(C)C(C(O)=O)C1(C)C is A monocarboxylic acid consisting of cyclopropanecarboxylic acid having four methyl substituents. Its functional parent is cyclopropanecarboxylic acid . It is also related to or classified as monocarboxylic acid .
The molecule OC1(C(O)C2=C(CC(C3=C(C1)C(OC3=O)=O)CCCCC)C(OC2=O)=O)CCCC OC1(C(O)C2=C(CC(C3=C(C1)C(OC3=O)=O)CCCCC)C(OC2=O)=O)CCCC is Castaneiolide. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [H][C@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O [H][C@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O is 3alpha-hydroxy-5beta-androstan-17-one 3-glucosiduronic acid. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is 3alpha-hydroxy-5beta-androstan-17-one . It is also related to or classified as steroid glucosiduronic acid .
The molecule [Tm] [Tm] is thulium atom. It is also related to or classified as lanthanoid atom  . It is also related to or classified as f-block element atom .
The molecule CC(=O)N(CCCC[C@@H](C(=O)[O-])NC(=O)CC(CC(=O)[O-])(C(=O)[O-])O)O is a tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of N(alpha)-citryl-N(epsilon)-acetyl-N(epsilon)-hydroxylysine. It is a conjugate base of a N(alpha)-citryl-N(epsilon)-acetyl-N(epsilon)-hydroxylysine.
The molecule O([C@H]1[C@H](O)[C@H](O)[C@@H](O[C@@H]1CO)O)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO O([C@H]1[C@H](O)[C@H](O)[C@@H](O[C@@H]1CO)O)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO is an alpha-D-Manp-(1->4)-D-Manp in which the carbon bearing the anomeric hydroxy group has beta configuration. Its functional parent is beta-D-mannose . Its functional parent is alpha-D-mannose . It is also related to or classified as alpha-D-Manp-(1->4)-D-Manp  .
The molecule CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CNC2=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CNC2=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O is A heterodetic cyclic peptide composed of 65 amino acids joined in sequence and cyclised by three disulfide bridges between cysteine residues 6-14, 16-28 and 22-39. It is a highly specific inhibitor of thrombin and used as an anticoagulant in patients to prevent venous thromboembolism. Its amino acid sequence differs from natural hirudin by lack of sulfate group on Tyr-63. It has the role of anticoagulant . It has the role of EC 3.4.21.5 (thrombin) inhibitor . It is also related to or classified as polypeptide  .  It is also related to or classified as organic disulfide  . It is also related to or classified as heterodetic cyclic peptide .
The molecule O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)[C@@]4(C(=O)N(/C=C/C(OO)(C)C)C5=C4C=CC(=C5)OC)[C@@H]3C=C(C)C)CCC2 O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)[C@@]4(C(=O)N(/C=C/C(OO)(C)C)C5=C4C=CC(=C5)OC)[C@@H]3C=C(C)C)CCC2 is Spirotryprostatin E. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(\C=C/C=C/C=C/[C@H]([C@@H](O)CCCC(=O)[O-])SC[C@H](NC(CC[C@H]([NH3+])C(=O)[O-])=O)C(=O)NCC(=O)[O-])CCCCCCC C(\C=C/C=C/C=C/[C@H]([C@@H](O)CCCC(=O)[O-])SC[C@H](NC(CC[C@H]([NH3+])C(=O)[O-])=O)C(=O)NCC(=O)[O-])CCCCCCC is A leukotriene anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of leukotriene C3; major species at pH 7.3. It is also related to or classified as tricarboxylic acid dianion , peptide anion , leukotriene anion .
The molecule C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O)N is a tetrapeptide composed of L-alanine, two L-leucine units, and L-serine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-alanine, a L-leucine and a L-serine.
The molecule [Sn++] [Sn++] is tin(2+).  It is also related to or classified as monoatomic dication  . It is also related to or classified as tin cation , divalent metal cation .
The molecule CC(C)CCCCCCCCCC/C=C\\C(=O)O is an alpha,beta-unsaturated monocarboxylic acid that is cis-2-pentadecenoic acid in which one of the hydrogens at position 14 has been replaced by a methyl group. It is a monounsaturated fatty acid, an alpha,beta-unsaturated monocarboxylic acid and a long-chain fatty acid.
The molecule CC1=CC(=C(C(=C1OCC=C(C)C)C=O)C(=O)C2=C(C=CC(=C2O)CC=C(C)C)O)O is a member of the class of benzophenones that is benzophenone in which one of the phenyl groups is substituted by a 3,3-dimethylallyl group at position 3 and by hydroxy groups at positions 2 and 6, while the other is substituted by a formyl group at position 2, a 3,3-dimethylallyloxy group at position 3, a methyl group at position 4, and a hydroxy group at position 6. It is an aldehyde, a member of phenols, a member of benzophenones, a member of resorcinols and an arugosin A. It is a tautomer of an arugosin A (lactol form).
The molecule CC(=O)N[C@H]1[C@H](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]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@@H]4O)[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](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]1[C@H](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]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@@H]4O)[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](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A branched amino heptasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc in which the mannosyl group is substituted at position 3 by a beta-D-GlcNAc-(1->2)-alpha-D-Man group and at position 6 by an alpha-D-Man-(1->6)-alpha-D-Man group. It is also related to or classified as amino sugar , amino heptasaccharide , amino oligosaccharide .
The molecule O[C@H]1COC(O)[C@H](O)[C@H]1O O[C@H]1COC(O)[C@H](O)[C@H]1O is the six-membered ring form of L-arabinose. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is also related to or classified as L-arabinose  .
The molecule CCOC(=O)CSC1=NC2=C(C(=O)N1C3CCN(CC3)C(=O)OCC)SC=C2 CCOC(=O)CSC1=NC2=C(C(=O)N1C3CCN(CC3)C(=O)OCC)SC=C2 is 4-[2-[(2-ethoxy-2-oxoethyl)thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]-1-piperidinecarboxylic acid ethyl ester. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule COC(=O)CCc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)[C@@]1(C)[C@@H](C(=O)OC)C(=CC=C41)C(=O)OC)c(C)c3C=C COC(=O)CCc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)[C@@]1(C)[C@@H](C(=O)OC)C(=CC=C41)C(=O)OC)c(C)c3C=C is the 2(1),2(2),13-trimethyl ester of (2S,2(1)R)-2(1),2(2)-dicarboxy-8-ethenyl-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13,17-dipropanoic acid. Its functional parent is (2S,2(1)R)-2(1),2(2)-dicarboxy-8-ethenyl-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13,17-dipropanoic acid . It is also related to or classified as methyl ester  . It is also related to or classified as carboxylic acid  . It is also related to or classified as beta-substituted porphyrin .
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC([H])=O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)C)OCCCCCN)O)O)O[C@@H]3[C@@H]([C@H](O[C@@H]([C@H]3NC([H])=O)C)O[C@@H]4[C@H](O[C@@H]([C@H]([C@@H]4O)NC([H])=O)C)OC)O [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC([H])=O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)C)OCCCCCN)O)O)O[C@@H]3[C@@H]([C@H](O[C@@H]([C@H]3NC([H])=O)C)O[C@@H]4[C@H](O[C@@H]([C@H]([C@@H]4O)NC([H])=O)C)OC)O is A methyl glycoside that consists of a 4-O-(5-aminopentyl)-alpha-D-mannose residue and three N-formyl-alpha-D-perosamine residues linked sequentially (1->2), (1->3) and (1->2) and linked at the reducing end glycosidically to a methyl group. It is also related to or classified as methyl glycoside , tetrasaccharide derivative .
The molecule CCCCCCCC/C=C\\CCCCC[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 (S)-3-hydroxyacyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3S)-3-hydroxyoleoyl-CoA; major species at pH 7.3. It is a monounsaturated fatty acyl-CoA(4-) and a long-chain (3S)-hydroxy fatty acyl-CoA(4-). It is a conjugate base of a (3S)-3-hydroxyoleoyl-CoA.
The molecule C=1C(=C(C(=CC1Cl)Cl)[O-])Cl C=1C(=C(C(=CC1Cl)Cl)[O-])Cl is A phenolate anion resulting from the deprotonation of the phenolic hydroxy group of 2,4,6-trichlorophenol. It is also related to or classified as phenolate anion .
The molecule OCC(COC(=O)CCCCCCC/C=C\CCCCCC)O OCC(COC(=O)CCCCCCC/C=C\CCCCCC)O is A 1-monoglyceride in which the acyl group is specified as (9Z)-hexadecenoyl. Its functional parent is palmitoleic acid . It is also related to or classified as 1-monoglyceride  .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4 is N-[(3S,9S,10S)-9-[[benzoyl(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-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1C=C[C@@H]([C@]1(O)C(O)CCCCCCCCCCCC)OC(=O)C O=C1C=C[C@@H]([C@]1(O)C(O)CCCCCCCCCCCC)OC(=O)C is 4-O-acetyl hygrophorone A12. It is also related to or classified as long-chain fatty alcohol  .
The molecule CCCCCCCCCCCCCCCCCCCCCC(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 a 3-hydroxy fatty acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxytetracosanoyl-CoA; the major species at pH 7.3. It is a 3-hydroxy fatty acyl-CoA(4-) and an 11,12-saturated fatty acyl-CoA(4-). It is a conjugate base of a 3-hydroxytetracosanoyl-CoA.
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)S(=O)(=O)C C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)S(=O)(=O)C is N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H]O[Te]([O-])(=O)=O [H]O[Te]([O-])(=O)=O is A monovalent inorganic anion obtained by removal of a proton from telluric acid. It is a conjugate acid of tellurate . It is also related to or classified as tellurium oxoanion , monovalent inorganic anion .
The molecule C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C)[C@H]([C@@]34CO[C@@]2([C@@]([C@@H]3[C@H](C=C[C@H]4OC(=O)C)C(=C)C)(C)O)O)OC(=O)C5=CN=CC=C5)OC(=O)C is a tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against urease. It has a role as a metabolite and an EC 3.5.1.5 (urease) inhibitor. It is an acetate ester, a bridged compound, a cyclic ether, a lactol and a tetracyclic diterpenoid. It derives from a nicotinic acid.
The molecule CC(=O)N[C@@H](CS)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC2[C@@H]([C@H](C([C@H]([C@H]2O)O)O)O)O)CO)O)O is a pseudodisaccharide, 1D-myo-inosityl-alpha-D-glucopyranoside, in which the hydroxy group at the 2-position of the glucose moiety is replaced by an (N-acetyl-L-cysteinyl)amido group. It has a role as a bacterial metabolite, a reducing agent and a cofactor. It is a 2-deoxy-alpha-D-glucoside, a thiol and a member of mycothiols. It derives from a myo-inositol.
The molecule NC(=O)NC(NC(N)=O)C(O)=O NC(=O)NC(NC(N)=O)C(O)=O is A member of the class of  ureas that consists of acetic acid in which the two methyl hydrogens are replaced by carbamoylamino groups respectively. It has the role of mouse metabolite . It has the role of plant metabolite . It is a conjugate acid of allantoate . It is also related to or classified as ureas .
The molecule O1C=2C(C(=O)C=C1C3=CC(OC)=C(OC)C=C3)=C(O)C(O)=C(O)C2O O1C=2C(C(=O)C=C1C3=CC(OC)=C(OC)C=C3)=C(O)C(O)=C(O)C2O is 5,6,7,8-Tetrahydroxy-3',4'-dimethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H](CCCCO1)C)[C@H](C)CO)C CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H](CCCCO1)C)[C@H](C)CO)C is 1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(C(C(F)(F)F)(F)F)(F)(F)F C(C(C(F)(F)F)(F)F)(F)(F)F is A fluorocarbon that is propane in which all of the hydrogens have been replaced by fluorines. It is also related to or classified as fluoroalkane  . It is also related to or classified as fluorocarbon  .
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC([H])=O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)C)OCCCCCN)O)O)O[C@@H]3[C@@H]([C@H](O[C@@H]([C@H]3NC([H])=O)C)OC)O [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC([H])=O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)C)OCCCCCN)O)O)O[C@@H]3[C@@H]([C@H](O[C@@H]([C@H]3NC([H])=O)C)OC)O is A methyl glycoside that consists of a 4-O-(5-aminopentyl)-alpha-D-mannose residue and two N-formyl-alpha-D-perosamine residues linked sequentially (1->2) and (1->3) and linked at the reducing end glycosidically to a methyl group. It is also related to or classified as methyl glycoside , trisaccharide derivative .
The molecule OC(=O)\C=C/C=C(/Cl)C(O)=O OC(=O)\C=C/C=C(/Cl)C(O)=O is 2-chloro-cis,cis-muconic acid. Its functional parent is cis,cis-muconic acid . It is a conjugate acid of 2-chloro-cis,cis-muconate(2-) . It is also related to or classified as 2-chloromuconic acid  .
The molecule C1=C[C@@H]([C@@H]([C@H]1[NH2+]CC2=CNC3=C2C(=O)NC(=N3)N)O)O is an organic cation that is the conjugate acid of queuine, obtained by protonation of the secondary amino group; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a queuine.
The molecule P(=O)(N=C(N(CC)CC)C)(OCC)F P(=O)(N=C(N(CC)CC)C)(OCC)F is A carboxamidine that is N,N-diethylethanimidamide in which the hydrogen attached to the imino nitrogen has been replaced by a fluoro(ethoxy)phosphoryl group. A toxic nerve agent developed by the former Soviet Union. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of neurotoxin .  It is also related to or classified as carboxamidine  . It is also related to or classified as fluorine molecular entity , organic phosphoramidate .
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-[[(3R,9S,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 O=C1OC([C@@]23O[C@@H]2C[C@]4(C5(C3=C1)[C@@]6(O[C@@]7(O)[C@@](C5)(C)C8(C49C(=O)O[C@H](C97O6)C)OC8)C)C)(C)C O=C1OC([C@@]23O[C@@H]2C[C@]4(C5(C3=C1)[C@@]6(O[C@@]7(O)[C@@](C5)(C)C8(C49C(=O)O[C@H](C97O6)C)OC8)C)C)(C)C is Dhilirolide A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [O-]S(OC=1C=CC(=CC1OC)C=CC)(=O)=O [O-]S(OC=1C=CC(=CC1OC)C=CC)(=O)=O is A phenyl sulfate oxoanion that is the conjugate base of isoeugenol sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is also related to or classified as phenyl sulfate oxoanion  .
The molecule C1=C(OC(=C1)CO)CO is a furan carrying two hydroxymethyl substituents at the 2- and 5-positions. It is a member of furans and a diol.
The molecule [H]O[Te](=O)(=O)O[H] [H]O[Te](=O)(=O)O[H] is telluric acid. It is a conjugate acid of hydrogentellurate . It is also related to or classified as tellurium oxoacid .
The molecule CC1(C)CC(N)CC(C)(C)N1[O] CC1(C)CC(N)CC(C)(C)N1[O] is A member of the class of aminoxyls that is TEMPO carrying an amino group at position 4. It has the role of spin label . It has the role of antineoplastic agent . It has the role of radical scavenger . It has the role of neuroprotective agent . Its functional parent is TEMPO . It is also related to or classified as aminoxyls , aminopiperidine , primary amino compound .
The molecule OCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O OCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O is the D-stereoisomer of sorbopyranose. It is also related to or classified as D-sorbose  . It is also related to or classified as sorbopyranose  .
The molecule C1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=C(C=CC(=C3)Br)O)C#N is a member of the class of pyridones that is 2-pyridone carrying cyano, phenyl and 3-bromo-6-hydroxyphenyl substituents at positions 3, 4 and 6 respectively It is a pyridone, a bromophenol and a nitrile.
The molecule [NH4+].[NH4+].[O-]C([O-])=O [NH4+].[NH4+].[O-]C([O-])=O is an ammonium salt that is the diammonium salt of carbonic acid. It has the role of food acidity regulator . It has the role of raising agent . It is also related to or classified as carbonate salt , ammonium salt .
The molecule CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1c(CCCC)oc2ccc(NS(C)(=O)=O)cc12 CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1c(CCCC)oc2ccc(NS(C)(=O)=O)cc12 is A member of the class of  1-benzofurans used for the treatment of  cardiac arrhythmias. It has the role of xenobiotic . It has the role of anti-arrhythmia drug . It has the role of environmental contaminant . It is also related to or classified as sulfonamide  . It is also related to or classified as aromatic ether , 1-benzofurans , tertiary amino compound , aromatic ketone .
The molecule O=C1C(C(=O)NC(=O)CC(C)C)=CN(CCO)C(=C1)[C@@H](OC(=O)C)C2=CC=CC=C2 O=C1C(C(=O)NC(=O)CC(C)C)=CN(CCO)C(=C1)[C@@H](OC(=O)C)C2=CC=CC=C2 is Berkeleyamide C. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule C1=2C=3C=CC=CC3S(C1=CC=CC2)(=O)=O C1=2C=3C=CC=CC3S(C1=CC=CC2)(=O)=O is A sulfone resulting from the oxidation of the sulfur atom of dibenzothiophene. Its functional parent is dibenzothiophene .  It is also related to or classified as sulfone  . It is also related to or classified as dibenzothiophenes .