anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\\CCCCCCCC is a 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups specified at positions 1 and 2 are palmitoyl and (11Z)-eicosenoyl respectively. It has a role as a mouse metabolite. It is a 1,2-diacyl-sn-glycero-3-phosphocholine and a phosphatidylcholine 36:1. It derives from a hexadecanoic acid and an (11Z)-icos-11-enoic acid.
The molecule [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 is an organosulfonate oxoanion that is the conjugate base of taurodeoxycholic acid. It has the role of human metabolite . It is also related to or classified as organosulfonate oxoanion  .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C=C\\C(=O)C/C=C\\CCC(=O)[O-] is an oxodocosahexaenoate that is the conjugate base of (4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid.
The molecule Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O is A trinitrotoluene having the nitro groups at positions 2, 4 and 6. It has the role of explosive . Its functional parent is 1,3,5-trinitrobenzene . It is also related to or classified as trinitrotoluene .
The molecule Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)CP([O-])([O-])=O)[C@@H](O)[C@H]1O Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)CP([O-])([O-])=O)[C@@H](O)[C@H]1O is an organophosphate oxoanion obtained by deprotonation of the phosphate and phosphonate OH groups of guanosine 5'-[beta,gamma-methylene]triphosphate. It is also related to or classified as organophosphate oxoanion , organophosphonate oxoanion .
The molecule CC(C)=CCC\C(C)=C\CC[C@](C)(O)[C@H](O)Cc1c[nH]c(c1)[N+]([O-])=O CC(C)=CCC\C(C)=C\CC[C@](C)(O)[C@H](O)Cc1c[nH]c(c1)[N+]([O-])=O is Nitropyrrolin A. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)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)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)O)NC(=O)C)NC(=O)C)O is a linear amino tetrasaccharide consisting of two N-acetyl-beta-D-galactosaminyl-(1->4)-N-acetyl-beta-D-glucosamine disaccharide units linked (1->3). It is an amino tetrasaccharide, a glucosamine oligosaccharide and a galactosamine oligosaccharide.
The molecule Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O is A nucleoside triphosphate analogue that is guanosine substituted at position 5' by a (beta,gamma-methylene)triphosphate group. It is a conjugate acid of guanosine 5'-[beta,gamma-methylene]triphosphate(4-) . It is also related to or classified as nucleoside triphosphate analogue .
The molecule C1CC2C3=C(C(=C(C=C3OC2(C(=O)NC1)N4CCOCC4)Br)O)Br C1CC2C3=C(C(=C(C=C3OC2(C(=O)NC1)N4CCOCC4)Br)O)Br is 6,8-dibromo-7-hydroxy-10a-(4-morpholinyl)-3,4,5,5a-tetrahydro-2H-benzofuro[2,3-c]azepin-1-one. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(C)(O)C(O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C CC(C)(O)C(O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C is A  tetracyclic triterpenoid that is dammar-20-ene substituted by hydroxy groups at positions 24 and 25 and an oxo group at position 3. It has been isolated from the stems of Aglaia abbreviata. It has the role of plant metabolite . It is also related to or classified as diol  . It is also related to or classified as tetracyclic triterpenoid , cyclic terpene ketone .
The molecule CCOC(=O)C(=NNC1=C(C=CC(=C1)Cl)OC)C#N CCOC(=O)C(=NNC1=C(C=CC(=C1)Cl)OC)C#N is 2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetic acid ethyl ester. It is also related to or classified as substituted aniline , methoxybenzenes .
The molecule CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC=C(O2)Br CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC=C(O2)Br is 5-bromo-2-furancarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester. Its functional parent is 2-furoic acid . It is also related to or classified as carboxylic ester  .
The molecule [H]O[Mo](=O)(=O)O[Mo]([O-])(=O)=O [H]O[Mo](=O)(=O)O[Mo]([O-])(=O)=O is A monovalent inorganic anion that consists of dimolybdic acid where one of the two OH groups has been deprotonated. It is a conjugate acid of dimolybdate(2-) . It is also related to or classified as molybdenum oxoanion , monovalent inorganic anion .
The molecule CSC(=O)[C@@H](COP(=O)(O)O)O is the methyl thiolester of 3-phospho-1-thio-D-glyceric acid. It is a carbohydrate acid ester, an aldonate ester phosphate and a thioester. It is a conjugate acid of a S-methyl 3-O-phosphonato-1-thio-D-glycerate(2-).
The molecule OC(=O)COc1cc(Cl)c(Cl)cc1Cl OC(=O)COc1cc(Cl)c(Cl)cc1Cl is A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2, 4 and 5 are substituted by chlorines. It has the role of defoliant . It has the role of synthetic auxin . It has the role of phenoxy herbicide . It is a conjugate acid of (2,4,5-trichlorophenoxy)acetate .  It is also related to or classified as trichlorobenzene  . It is also related to or classified as chlorophenoxyacetic acid .
The molecule N1=C2C(=CC3=C1C=4C(C=C3)=CC=CC4)C=CC=5C2=CC=CC5 N1=C2C(=CC3=C1C=4C(C=C3)=CC=CC4)C=CC=5C2=CC=CC5 is Dibenz[c,h]acridine. It is also related to or classified as organonitrogen heterocyclic compound , polycyclic heteroarene .
The molecule CC(=C)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C CC(=C)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C is A tetracyclic triterpenoid that is dammer-25-ene substituted by hydroxy groups at positions 20 and 24 and an oxo group at position 3 (the 24S-stereoisomer). It has been isolated from the stems of Aglaia abbreviata. It has the role of plant metabolite . It is also related to or classified as diol  . It is also related to or classified as tetracyclic triterpenoid , cyclic terpene ketone .
The molecule [H]C(=O)c1c(CCC(O)=O)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5C(O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(C)c4C=C)c(C)c3CCC(O)=O [H]C(=O)c1c(CCC(O)=O)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5C(O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(C)c4C=C)c(C)c3CCC(O)=O is A doubly-charged cyclic tetrapyrrole anion obtained by deprotonation of the two pyrrole NH groups of cytoporphyrin. It is also related to or classified as cyclic tetrapyrrole anion .
The molecule CCCCCC(/C=C/C=C\\CCCCCCCC(=O)O)OO is an HPODE (hydroperoxyoctadecadienoic acid) in which the double bonds are at positions 9 and 11 (E and Z geometry, respectively) and the hydroperoxy group is at position 13. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a 13-HPODE(1-).
The molecule OC(CCCCCCCCCCCC)CCC(O)=O OC(CCCCCCCCCCCC)CCC(O)=O is 4-hydroxy palmitic acid. It is also related to or classified as long-chain fatty acid  .
The molecule CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@]2(C)CC[C@H](O2)C(C)(C)O)C1(C)C CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@]2(C)CC[C@H](O2)C(C)(C)O)C1(C)C is A tetracyclic triterpenoid isolated from Aglaia abbreviata. It has the role of plant metabolite . It is also related to or classified as tertiary alcohol  .   It is also related to or classified as acetate ester  . It is also related to or classified as tetracyclic triterpenoid , oxolanes .
The molecule OC[C@H]1OCC(=O)C([O-])=C1 OC[C@H]1OCC(=O)C([O-])=C1 is conjugate base of ascopyrone M. It is also related to or classified as organic anion .
The molecule CCCCC[C@H]1C[C@@H]2CCC[C@H](O2)C[C@H](C[C@@H]3C[C@H](C[C@@H](O3)CC(=O)O1)OC(=O)/C=C\\CCC4=COC(=N4)/C=C\\CNC(=O)OC)OC is a synthetic macrolide that is an analogue of the marine metabolite leucascandrolide A that exhibits comparable antiproliferative properties. It has a role as an antifungal agent. It is a member of 1,3-oxazoles, a carbamate ester, an enoate ester, a macrolide, an organic heterotricyclic compound, a polycyclic ether and a semisynthetic derivative.
The molecule O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC=CC=CCC=CCC=CCC=CCC=CCC O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC=CC=CCC=CCC=CCC=CCC=CCC is (3E,5Z,8Z,11Z,14Z,17Z)-icosahexaenoyl-CoA(4-). Its functional parent is (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4-) . It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  . It is also related to or classified as (3E,5Z)-dienoyl-CoA(4-)  .
The molecule [Fe+3] is an iron cation and a monoatomic trication. It has a role as a human metabolite, an Escherichia coli metabolite, a mouse metabolite and a cofactor.
The molecule OC(CCCCCCCCCC(O)=O)CCCCC OC(CCCCCCCCCC(O)=O)CCCCC is 11-hydroxy palmitic acid. It is also related to or classified as long-chain fatty acid  .
The molecule C12=CC=CC=C1NC(=C2)C(=O)N[C@@H](CC3CCCCC3)C(N[C@H](C(=O)[H])C[C@H]4C(NCC4)=O)=O C12=CC=CC=C1NC(=C2)C(=O)N[C@@H](CC3CCCCC3)C(N[C@H](C(=O)[H])C[C@H]4C(NCC4)=O)=O is A secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-cyclohexyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.53 muM). It has the role of EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor . It has the role of anticoronaviral agent . It is also related to or classified as secondary carboxamide  . It is also related to or classified as aldehyde  . It is also related to or classified as oligopeptide  .  It is also related to or classified as pyrrolidin-2-ones  . It is also related to or classified as indolecarboxamide .
The molecule CC(C)(O)[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]21C CC(C)(O)[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]21C is A tetracyclic triterpenoid isolated from Aglaia abbreviata. It has the role of plant metabolite . It is also related to or classified as diol  . It is also related to or classified as tetracyclic triterpenoid , oxolanes .
The molecule [H]\C(C)=C\C([O-])=O [H]\C(C)=C\C([O-])=O is A but-2-enoate having a cis- double bond at C-2. It is also related to or classified as but-2-enoate  .  It is also related to or classified as short-chain fatty acid anion  . It is also related to or classified as unsaturated fatty acid anion .
The molecule [H]O[Mo](=O)(=O)O[Mo](=O)(=O)O[H] [H]O[Mo](=O)(=O)O[Mo](=O)(=O)O[H] is dimolybdic acid. It is a conjugate acid of hydrogen dimolybdate . It is also related to or classified as molybdenum oxoacid .
The molecule C1=NNN=N1 is a tetrazole tautomer where the proton is located on the 1st position. It is a tetrazole and a one-carbon compound. It is a tautomer of a 2H-tetrazole and a 5H-tetrazole.
The molecule O1[C@@]2([C@]3([C@@]4(NC(=N[C@H]3O)N)C(O)[C@](O[C@]1(O)[C@H]4O)([C@]2(O)C)[H])[H])[H] O1[C@@]2([C@]3([C@@]4(NC(=N[C@H]3O)N)C(O)[C@](O[C@]1(O)[C@H]4O)([C@]2(O)C)[H])[H])[H] is 11-Deoxytetrodotoxin. It is also related to or classified as organic heteromonocyclic compound , organonitrogen heterocyclic compound .
The molecule CC1=C(SC2=NC=NC(=C12)NCC3COC4=CC=CC=C4O3)C CC1=C(SC2=NC=NC(=C12)NCC3COC4=CC=CC=C4O3)C is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-dimethyl-4-thieno[2,3-d]pyrimidinamine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as benzodioxine .
The molecule CC(C)(O)[C@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C CC(C)(O)[C@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C is A tetracyclic triterpenoid isolated from Aglaia abbreviata. It has the role of plant metabolite . It is also related to or classified as tertiary alcohol  . It is also related to or classified as tetracyclic triterpenoid , oxolanes , cyclic terpene ketone .
The molecule CCCCCC(OO)=CC\C=C/CCCCCCCC(O)=O CCCCCC(OO)=CC\C=C/CCCCCCCC(O)=O is 13-hydroperoxylinoleic acid. Its functional parent is linoleic acid . It is also related to or classified as hydroperoxy polyunsaturated fatty acid  .
The molecule CCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\CCCCCC is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which both acyl substituents are specified as (9Z)-hexadecenoyl (palmitoleoyl). It derives from a palmitoleic acid. It is a tautomer of a 1,2-di-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphoethanolamine zwitterion.
The molecule O1C(O)C=2C3=C(C=CC2C4=CC=C(O)C=C4)C=CC=C3C1=O O1C(O)C=2C3=C(C=CC2C4=CC=C(O)C=C4)C=CC=C3C1=O is 3-Hydroxy-4-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@]2(C)CCC(=O)O2)C1(C)C CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@]2(C)CCC(=O)O2)C1(C)C is A tetracyclic triterpenoid isolated from Aglaia abbreviata. It has the role of plant metabolite .  It is also related to or classified as gamma-lactone  . It is also related to or classified as acetate ester  . It is also related to or classified as tetracyclic triterpenoid .
The molecule OC[C@@H]1CC(=O)C([O-])=CO1 OC[C@@H]1CC(=O)C([O-])=CO1 is conjugate base of ascopyrone P. It is also related to or classified as organic anion .
The molecule C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)[O-])(C)C(=O)[O-] is a dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A12. It is a gibberellin carboxylic acid anion and a dicarboxylic acid dianion. It is a conjugate base of a gibberellin A12.
The molecule O(C(=O)CCCCCCCCCCCCC(CC)C)C O(C(=O)CCCCCCCCCCCCC(CC)C)C is Methyl 14-methyl-8-hexadecenoate. It is also related to or classified as fatty acid methyl ester  .
The molecule C[C@]1(CCC(=O)O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]21C C[C@]1(CCC(=O)O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]21C is A tetracyclic triterpenoid isolated from the stems of  Aglaia abbreviata. It has the role of plant metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as tetracyclic triterpenoid .
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)CO)O)O)O)O)O)O)O is a mannotriose consisting of an alpha-D-mannopyranose residue and two beta-D-mannopyranose residues joined in sequence by (1->3) and (1->2) glycosidic bonds. It derives from a beta-D-Manp-(1->2)-beta-D-Manp and an alpha-D-Manp-(1->3)-beta-D-Manp.
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCC(=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 is a polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA. It is a polyunsaturated fatty acyl-CoA(4-), a very long-chain acyl-CoA(4-) and a 3-substituted propionyl-CoA(4-). It is a conjugate base of a (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA.
The molecule OC(=O)C(CCCCCCCCCCCCCCC)C OC(=O)C(CCCCCCCCCCCCCCC)C is lambda isostearic acid. It is also related to or classified as long-chain fatty acid  .
The molecule [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O)O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)O)NC(=O)C)O)O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)NC(C)=O [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O)O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)O)NC(=O)C)O)O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)NC(C)=O is A branched amino hexasaccharide in which an alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine linear pentasaccharide carries at the galactose residue proximal to the reducing end a second alpha-L-fucosyl residue via a (1->2) linkage. It is also related to or classified as amino sugar , amino hexasaccharide .
The molecule C[C@]1(CCC(=O)O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C C[C@]1(CCC(=O)O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C is A tetracyclic triterpenoid isolated from the stems of Aglaia abbreviata. It has the role of plant metabolite .   It is also related to or classified as gamma-lactone  . It is also related to or classified as tetracyclic triterpenoid , cyclic terpene ketone .
The molecule C(C(COP(=O)(O)O)O)O is a glycerol monophosphate having the phosphate group located at position 1. It has a role as a human metabolite and an algal metabolite. It is a conjugate acid of a glycerol 1-phosphate(2-).
The molecule CC[C@@]1(C[C@@H]2C[C@@](C3=C(CC[NH+](C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CC[NH+]9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.[O-]S(=O)(=O)[O-] is an organic sulfate salt containing equimolar amounts of vincristine(2+) and sulfate. Used for the treatment of a variety of cancers. It has a role as an antineoplastic agent. It contains a vincristine(2+).
The molecule O(C(=O)CCCCCC\C=C\CCCCC(CC)C)C O(C(=O)CCCCCC\C=C\CCCCC(CC)C)C is formyl 14-methyl-8E-hexadecenoate. It is also related to or classified as fatty acid methyl ester  .
The molecule CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@@](C)(O)C\C=C\C(C)(C)OO)C1(C)C CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@@](C)(O)C\C=C\C(C)(C)OO)C1(C)C is A tetracyclic triterpenoid (dammarane type) isolated from the stems of Aglaia abbreviata. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as tertiary alcohol  .  It is also related to or classified as peroxol  . It is also related to or classified as acetate ester  . It is also related to or classified as tetracyclic triterpenoid .
The molecule CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 is a butenolide that is furan-2(5H)-one substituted by a phenyl group at position 3 and by a p-(methylsulfonyl)phenyl group at position 4. A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke. It has a role as a cyclooxygenase 2 inhibitor, a non-steroidal anti-inflammatory drug and an analgesic. It is a sulfone and a butenolide.
The molecule [Ca++].CC(C([O-])=O)c1cccc(Oc2ccccc2)c1.CC(C([O-])=O)c1cccc(Oc2ccccc2)c1 [Ca++].CC(C([O-])=O)c1cccc(Oc2ccccc2)c1.CC(C([O-])=O)c1cccc(Oc2ccccc2)c1 is the anhydrous form of the calcium salt of fenprofen. The dihydrate form is used as a non-steroidal anti-inflammatory drug for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis. It has the role of cyclooxygenase 2 inhibitor . It has the role of cyclooxygenase 1 inhibitor . It is also related to or classified as calcium salt .
The molecule O(C(=O)CCCCCC/C=C\CCCCC(CC)C)C O(C(=O)CCCCCC/C=C\CCCCC(CC)C)C is formyl 14-methyl-8Z-hexadecenoate. It is also related to or classified as fatty acid methyl ester  .
The molecule CC(C)(O)\C=C\CC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C CC(C)(O)\C=C\CC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C is A tetracyclic triterpenoid (dammarane type) isolated from the stems of Aglaia abbreviata. It has the role of plant metabolite . It is also related to or classified as tertiary alcohol  . It is also related to or classified as tetracyclic triterpenoid , cyclic terpene ketone .
The molecule CC(O)c1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(O)=O)c(CCC(O)=O)c4C)c(C)c3C(C)O CC(O)c1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(O)=O)c(CCC(O)=O)c4C)c(C)c3C(C)O is A dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups. It has the role of photosensitizing agent . Its functional parent is protoporphyrin . It is also related to or classified as protoporphyrins , dicarboxylic acid .
The molecule [H]O[W]([O-])(=O)=O [H]O[W]([O-])(=O)=O is A monovalent inorganic anion that consists of tungstic acid where one of the two OH groups has been deprotonated. It is a conjugate acid of tungstate . It is also related to or classified as tungsten oxoanion , monovalent inorganic anion .
The molecule CC/C=C\\CCOC(=O)OC is a carbonate ester that is dimethyl carbonate in which one of the methyl groups has been replaced by a (Z)-hex-3-en-1-yl group. It has a floral scent and is used in the production of fruit or vegetable-like flavour additives. It has a role as a flavouring agent. It is a carbonate ester and an olefinic compound. It derives from a (Z)-hex-3-en-1-ol.
The molecule O(C(=O)CCCCCCC)C1=CC=C(C=C1)C O(C(=O)CCCCCCC)C1=CC=C(C=C1)C is 4-Methylphenyl octanoate. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule C[C@@]12CC[C@@H]([C@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C)[C@]1(C)CC=CC(C)(C)O1 C[C@@]12CC[C@@H]([C@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C)[C@]1(C)CC=CC(C)(C)O1 is A tetracyclic triterpenoid (dammarane type) isolated from the stems of Aglaia abbreviata. It has the role of plant metabolite . It is also related to or classified as pyrans , tetracyclic triterpenoid , cyclic terpene ketone .
The molecule [H]O[W](=O)(=O)O[H] [H]O[W](=O)(=O)O[H] is tungstic acid. It is a conjugate acid of hydrogentungstate . It is also related to or classified as tungsten coordination entity .
The molecule [O-][Mo](=O)(=O)O[Mo]([O-])(=O)=O [O-][Mo](=O)(=O)O[Mo]([O-])(=O)=O is A divalent inorganic anion obtained by removal of both protons from dimolybdic acid. It is also related to or classified as molybdenum oxoanion , divalent inorganic anion .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C is the (Z)-stereoisomer of cholesteryl octadec-9-enoate. It has a role as a mouse metabolite. It derives from an oleic acid.
The molecule O=C(CCCCCCCCC(O)=O)CCCCCC O=C(CCCCCCCCC(O)=O)CCCCCC is 10-keto palmitic acid. It is also related to or classified as long-chain fatty acid  .
The molecule CC(=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]21C CC(=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]21C is A tetracyclic triterpenoid isolated from the stems of Aglaia abbreviata. It has the role of plant metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as tetracyclic triterpenoid , methyl ketone .