anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H](CO)NC(=O)CC[C@H](N)C(O)=O C[C@@H](CO)NC(=O)CC[C@H](N)C(O)=O is A N(5)-alkylglutamine obtained by formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of L-alaninol. It has the role of bacterial metabolite . Its functional parent is (S)-2-aminopropan-1-ol . It is also related to or classified as N(5)-alkyl-L-glutamine .
The molecule CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1O CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1O is A member of the class of anthracyclines that is beta-rhodomycin lacking the phenolic hydroxy group at position 11.     It is also related to or classified as anthracycline  . It is also related to or classified as p-quinones , polyphenol , deoxy hexoside , aminoglycoside , monosaccharide derivative .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC is A triglyceride in which the acyl groups at positions 1 and 2 are specified as palmitoyl while that at position 3 is specified as palmitoleoyl. Its functional parent is hexadecanoic acid . Its functional parent is palmitoleic acid . It is also related to or classified as triacyl-sn-glycerol  .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](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](NC(C)=O)[C@H](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 A branched amino pentasaccharide comprising a linear chain of beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose and N-acetyl-beta-D-glucosamine, linked (1->3), (1->3) and (1->4) respectively, with an alpha-L-fucose residue linked to the reducing-end N-acetyl-beta-D-glucosamine residue. It is also related to or classified as amino pentasaccharide .
The molecule CC\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CC\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is A fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (Z)-hex-3-enoic acid. Its functional parent is cis-hex-3-enoic acid . It is a conjugate acid of (Z)-hex-3-enoyl-CoA(4-) .  It is also related to or classified as cis-3-enoyl-CoA  . It is also related to or classified as monounsaturated fatty acyl-CoA , medium-chain fatty acyl-CoA .
The molecule CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)[NH+](C)C)c2c([O-])c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1O CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)[NH+](C)C)c2c([O-])c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1O is A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of 11-deoxy-beta-rhodomycin; major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule Nc1nc2NC[C@H](CNc3ccc(cc3)C(O)=O)Nc2c(=O)[nH]1 Nc1nc2NC[C@H](CNc3ccc(cc3)C(O)=O)Nc2c(=O)[nH]1 is A pteroic acid derivative arising from formal hydrogenation of the 5,6- and 7,8-double bonds of pteroic acid. It is a conjugate acid of (6S)-5,6,7,8-tetrahydropteroate . It is also related to or classified as pteroic acids .
The molecule OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](OC[C@H]5O[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)[C@H](O)[C@@H](O)[C@@H]5O)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](OC[C@H]5O[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)[C@H](O)[C@@H](O)[C@@H]5O)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A heptasaccharide consisting of two alpha-maltotriose units linked (1->6), with a further alpha-D-glucose unit linked to O-6 of the glucose residue at the non-reducing end. Its functional parent is alpha-maltotriose . It is also related to or classified as heptasaccharide .
The molecule OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A glucotetrose consisting of alpha-maltotriose with a further alpha-D-glucose unit linked to O-6 of the glucose residue at the non-reducing end. Its functional parent is alpha-maltotriose . It is also related to or classified as glucotetraose .
The molecule C[C@@H](CO)NC(=O)CC[C@H]([NH3+])C([O-])=O C[C@@H](CO)NC(=O)CC[C@H]([NH3+])C([O-])=O is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N-(gamma-L-glutamyl)-L-alaninol; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as amino-acid zwitterion .
The molecule C[N+](C)(C)C[C@@H](CC([O-])=O)OC(=O)C=C C[N+](C)(C)C[C@@H](CC([O-])=O)OC(=O)C=C is an O-acyl-L-carnitine having acryloyl as the acyl group. It has the role of metabolite . Its functional parent is acrylic acid . It is also related to or classified as fatty acyl-L-carnitine  . It is also related to or classified as O-acyl-L-carnitine  .
The molecule CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC is A 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) arising from deprotonation of all three free phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate); major species at pH 7.3. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-)  .
The molecule [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)OP(O)(=O)O)O)O)OP(OC[C@@H](COC(=O)CCCCCCC)OC(=O)CCCCCCC)(=O)O)O [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)OP(O)(=O)O)O)O)OP(OC[C@@H](COC(=O)CCCCCCC)OC(=O)CCCCCCC)(=O)O)O is A 1-phosphatidyl-1D-myo-inositol 4-phosphate in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl. It is a conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3-) . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 4-phosphate  . It is also related to or classified as octanoate ester  .
The molecule C[N+](C)(C)C[C@@H](CC([O-])=O)OC(=O)CC(O)=O C[N+](C)(C)C[C@@H](CC([O-])=O)OC(=O)CC(O)=O is an O-acyl-L-carnitine in which the acyl group is specified as malonyl. It has the role of metabolite . Its functional parent is malonic acid . It is also related to or classified as O-acyl-L-carnitine  .
The molecule CC1OC(=O)C[C@@]2(C)[C@H](CCC(O)=O)C3=CC4=[N+]5C(=CC6=[N+]7C(=CC8=[N+]9C(=C(CC(O)=O)[C@@]8(C)CCC(O)=O)C12N3[Co--]579)C(CCC(O)=O)=C6CC(O)=O)[C@@H](CCC(O)=O)[C@]4(C)CC(O)=O CC1OC(=O)C[C@@]2(C)[C@H](CCC(O)=O)C3=CC4=[N+]5C(=CC6=[N+]7C(=CC8=[N+]9C(=C(CC(O)=O)[C@@]8(C)CCC(O)=O)C12N3[Co--]579)C(CCC(O)=O)=C6CC(O)=O)[C@@H](CCC(O)=O)[C@]4(C)CC(O)=O is A cobalt-corrinoid heptacarboxylic acid that is produced by Salmonella typhimurium. It has the role of bacterial metabolite . It is a conjugate acid of cobalt(II)-factor IV(6-) . It is also related to or classified as cobalt-corrinoid heptacarboxylic acid , metalloporphyrin .
The molecule C[N+](C)(C)C[C@H](CC([O-])=O)OC(=O)CC(O)=O C[N+](C)(C)C[C@H](CC([O-])=O)OC(=O)CC(O)=O is an O-acyl-D-carnitine in which the acyl group specified is malonyl. Its functional parent is malonic acid . It is also related to or classified as O-acyl-D-carnitine  .
The molecule CC1OC(=O)C[C@@]2(C)[C@H](CCC([O-])=O)C3=CC4=[N+]5C(=CC6=[N+]7C(=CC8=[N+]9C(=C(CC([O-])=O)[C@@]8(C)CCC([O-])=O)C12N3[Co--]579)C(CCC([O-])=O)=C6CC([O-])=O)[C@@H](CCC([O-])=O)[C@]4(C)CC([O-])=O CC1OC(=O)C[C@@]2(C)[C@H](CCC([O-])=O)C3=CC4=[N+]5C(=CC6=[N+]7C(=CC8=[N+]9C(=C(CC([O-])=O)[C@@]8(C)CCC([O-])=O)C12N3[Co--]579)C(CCC([O-])=O)=C6CC([O-])=O)[C@@H](CCC([O-])=O)[C@]4(C)CC([O-])=O is A precorrin carboxylic acid anion obtained by global deprotonation of the carboxy groups of cobalt(II)-factor IV. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has the role of bacterial metabolite . It is also related to or classified as precorrin carboxylic acid anion .
The molecule CCCCCCCCCCCC(O)Cc1cc(O)cc(=O)o1 CCCCCCCCCCCC(O)Cc1cc(O)cc(=O)o1 is A 6-alkyl-4-hydroxy-2H-pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 2-hydroxytridecyl group. It is also related to or classified as secondary alcohol  . It is also related to or classified as 6-alkyl-4-hydroxy-2H-pyran-2-one  .
The molecule OCCCCCCCCCCCCCCCc1cc(O)cc(=O)o1 OCCCCCCCCCCCCCCCc1cc(O)cc(=O)o1 is A 6-alkyl-4-hydroxy-2H-pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 15-hydroxypentadecyl group. It is also related to or classified as primary alcohol  . It is also related to or classified as 6-alkyl-4-hydroxy-2H-pyran-2-one  .
The molecule Oc1cc(CCCCCCCC=C)oc(=O)c1 Oc1cc(CCCCCCCC=C)oc(=O)c1 is A 6-alkyl-4-hydroxy-2H-pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a non-8-en-1-yl group. It is also related to or classified as 6-alkyl-4-hydroxy-2H-pyran-2-one  .
The molecule CCCCCCC(O)CCCCCCCCCCc1cc(O)cc(=O)o1 CCCCCCC(O)CCCCCCCCCCc1cc(O)cc(=O)o1 is A 6-alkyl-4-hydroxy-2H-pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by an 11-hydroxyheptadecyl group. It is also related to or classified as secondary alcohol  . It is also related to or classified as 6-alkyl-4-hydroxy-2H-pyran-2-one  .
The molecule OCCCCCCCCCCCCCCc1cc(O)cc(=O)o1 OCCCCCCCCCCCCCCc1cc(O)cc(=O)o1 is A 6-alkyl-4-hydroxy-2H-pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 14-hydroxytetradecyl group. It is also related to or classified as primary alcohol  . It is also related to or classified as 6-alkyl-4-hydroxy-2H-pyran-2-one  .
The molecule CCCCCCCCC(C)Cc1cc(O)cc(=O)o1 CCCCCCCCC(C)Cc1cc(O)cc(=O)o1 is A 6-alkyl-4-hydroxy-2H-pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 2-methyldecyl group. It is also related to or classified as 6-alkyl-4-hydroxy-2H-pyran-2-one  .
The molecule CC(C(O)=O)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CC(C(O)=O)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is an O-acyl-L-carnitine in which the acyl group specified is methylmalonyl. It has the role of metabolite . Its functional parent is methylmalonic acid . It is also related to or classified as O-acyl-L-carnitine  .
The molecule CC(C)CCCCCCCCCCc1cc(O)cc(=O)o1 CC(C)CCCCCCCCCCc1cc(O)cc(=O)o1 is A 6-alkyl-4-hydroxy-2H-pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by an 11-methyldodecyl group. It is also related to or classified as 6-alkyl-4-hydroxy-2H-pyran-2-one  .
The molecule C[Si](C)(C)CCC(O)=O C[Si](C)(C)CCC(O)=O is an organosilicon compound that is propionic acid substituted at position 3 by a trimethylsilyl group. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O). Its functional parent is propionic acid . It is a conjugate acid of 3-(trimethylsilyl)propionate . It is also related to or classified as monocarboxylic acid , organosilicon compound .
The molecule CCCCCCC(C)CCCCCCCCCCc1cc(O)cc(=O)o1 CCCCCCC(C)CCCCCCCCCCc1cc(O)cc(=O)o1 is A 6-alkyl-4-hydroxy-2H-pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by an 11-methylheptadecyl group. It is also related to or classified as 6-alkyl-4-hydroxy-2H-pyran-2-one  .
The molecule CCCCCCCCCCCCCCC(C)c1cc(O)cc(=O)o1 CCCCCCCCCCCCCCC(C)c1cc(O)cc(=O)o1 is A 6-alkyl-4-hydroxy-2H-pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a hexadecan-2-yl group. It is also related to or classified as 6-alkyl-4-hydroxy-2H-pyran-2-one  .
The molecule CCCCCCCCCCCCCCC(C)C(=O)Cc1cc(O)cc(=O)o1 CCCCCCCCCCCCCCC(C)C(=O)Cc1cc(O)cc(=O)o1 is an acyl tetraketide pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 3-methyl-2-oxoheptadecyl group. It is also related to or classified as 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one  .
The molecule CCCCCCC(O)CCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1 CCCCCCC(O)CCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1 is an acyl tetraketide pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 13-hydroxy-2-oxononadecyl group. It is also related to or classified as secondary alcohol  . It is also related to or classified as 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one  .
The molecule OCCCCCCCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1 OCCCCCCCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1 is an acyl tetraketide pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 17-hydroxy-2-oxoheptadecyl group. It is also related to or classified as primary alcohol  . It is also related to or classified as 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one  .
The molecule C[NH2+][C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C([O-])=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)([NH3+])[C@@H](O)[C@H](C)O1)c(Cl)c2 C[NH2+][C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C([O-])=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)([NH3+])[C@@H](O)[C@H](C)O1)c(Cl)c2 is an organic cation obtained by deprotonation of the carboxy group and protonation of the two amino functions of epivancomycin; major species at pH 7.3. It is also related to or classified as organic cation .
The molecule Cc1c([nH]c2ccccc12)C([O-])=O Cc1c([nH]c2ccccc12)C([O-])=O is an indolecarboxylate obtained by deprotonation of the carboxy group of 3-methyl-2-indolic acid; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as indolecarboxylate .
The molecule OCCCCCCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1 OCCCCCCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1 is an acyl tetraketide pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 16-hydroxy-2-oxohexadecyl group. It is also related to or classified as primary alcohol  . It is also related to or classified as 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one  .
The molecule CCCCCCCCC(C)CC(=O)Cc1cc(O)cc(=O)o1 CCCCCCCCC(C)CC(=O)Cc1cc(O)cc(=O)o1 is an acyl tetraketide pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 4-methyl-2-oxododecyl group. It is also related to or classified as 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one  .
The molecule Oc1cnc2c(O)nc(O)nc2n1 Oc1cnc2c(O)nc(O)nc2n1 is A member of the class of pteridines that is pteridine in which the hydrogens at positions 2, 4, and 7 have been replaced by hydroxy groups. It is also related to or classified as pteridines , heteroaryl hydroxy compound .
The molecule C[N+](C)(C)C[C@@H](CC([O-])=O)OC(=O)\C=C\CC(O)=O C[N+](C)(C)C[C@@H](CC([O-])=O)OC(=O)\C=C\CC(O)=O is an O-acyl-L-carnitine where the acyl group specified is glutaconyl. It is also related to or classified as O-acyl-L-carnitine  . It is also related to or classified as O-glutaconylcarnitine  .
The molecule Oc1cc(CC(=O)CCCCCCCC=C)oc(=O)c1 Oc1cc(CC(=O)CCCCCCCC=C)oc(=O)c1 is an acyl tetraketide pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 2-oxoundec-10-en-1-yl group. It is also related to or classified as 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one  .
The molecule C\C=C(/C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C C\C=C(/C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is an O-acyl-L-carnitine compound having trans-2-methyl-2-butenoyl (tiglyl) as the acyl substituent. It is also related to or classified as monounsaturated fatty acyl-L-carnitine  . It is also related to or classified as methyl-branched fatty acyl-L-carnitine  . It is also related to or classified as O-tiglylcarnitine  . It is also related to or classified as O-acyl-L-carnitine  .
The molecule C[N+](C)(C)C[C@@H](CC([O-])=O)OC(=O)CCCCCC(O)=O C[N+](C)(C)C[C@@H](CC([O-])=O)OC(=O)CCCCCC(O)=O is an O-acyl-L-carnitine that is L-carnitine having a pimelyl group as the acyl substituent. It is also related to or classified as O-acyl-L-carnitine  . It is also related to or classified as O-pimelylcarnitine  .
The molecule C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCC(O)=O C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCC(O)=O is an O-acylcarnitine in which the acyl group specified is pimelyl. It has the role of metabolite . Its functional parent is pimelic acid . It is also related to or classified as O-acylcarnitine .
The molecule CCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is the L-enantiomer of  O-nonanoylcarnitine. It is also related to or classified as saturated fatty acyl-L-carnitine  . It is also related to or classified as medium-chain fatty acyl-L-carnitine  . It is also related to or classified as O-nonanoylcarnitine  .
The molecule C[N+](C)(C)CC(CC([O-])=O)OC(=O)\C=C\CC(O)=O C[N+](C)(C)CC(CC([O-])=O)OC(=O)\C=C\CC(O)=O is an O-acylcarnitine in which the acyl group specified is glutaconyl. It has the role of metabolite . Its functional parent is (E)-glutaconic acid . It is also related to or classified as O-acylcarnitine .
The molecule CC(C)CCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1 CC(C)CCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1 is an acyl tetraketide pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 13-methyl-2-oxotetradecyl group. It is also related to or classified as 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one  .
The molecule [O-]C(=O)C[C@]1(Cl)OC(=O)C=C1 [O-]C(=O)C[C@]1(Cl)OC(=O)C=C1 is A (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate obtained by deprotonation of the carboxy group of (R)-(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate  .
The molecule OC(=O)C[C@]1(Cl)OC(=O)C=C1 OC(=O)C[C@]1(Cl)OC(=O)C=C1 is an optically active form of (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid having R-configuration. It has the role of bacterial metabolite . It is a conjugate acid of (R)-(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate . It is also related to or classified as (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid  .
The molecule [NH3+]C1(Cc2ccc(O)cc2)C(=O)NC(=O)N\C1=N\C[C@H](O)[C@H](O)[C@H](O)CO [NH3+]C1(Cc2ccc(O)cc2)C(=O)NC(=O)N\C1=N\C[C@H](O)[C@H](O)[C@H](O)CO is an organic cation obtained by protonation of the 5-amino group of 5-amino-5-(4-hydroxybenzyl)-6-((2,3,4,5-tetrahydroxypentyl)amino)dihydropyrimidine-2,4-dione. It is a conjugate acid of 5-amino-5-(4-hydroxybenzyl)-6-(D-ribitylimino)-5,6-dihydrouracil . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule Cc1c([nH]c2ccccc12)C(O)=O Cc1c([nH]c2ccccc12)C(O)=O is an indolecarboxylic acid that is indole-2-carboxylic acid in which the hydrogen at position 3 is replaced by a methyl group. It has the role of bacterial metabolite . It is a conjugate acid of 3-methyl-2-indolate . It is also related to or classified as indolecarboxylic acid .
The molecule CC(CC(O)=O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CC(CC(O)=O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is an O-acyl-L-carnitine that is L-carnitine having a 3-methylglutaryl group as the acyl substituent. It is also related to or classified as O-3-methylglutarylcarnitine  . It is also related to or classified as O-acyl-L-carnitine  .
The molecule C[N+]1(C)C[C@H](O)C[C@@H]1C([O-])=O C[N+]1(C)C[C@H](O)C[C@@H]1C([O-])=O is an amino-acid betaine that is trans-4-hydroxy-D-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups. 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 amino-acid betaine , pyrrolidine alkaloid .
The molecule C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(O)CC[C@]12C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(O)CC[C@]12C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is an acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of 9alpha-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA; major species at pH 7.3. It is also related to or classified as steroidal acyl-CoA(4-)  .
The molecule CCCCCCC(C)CCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1 CCCCCCC(C)CCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1 is an acyl tetraketide pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 13-methyl-2-oxononadecyl group. It is also related to or classified as 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one  .
The molecule [Bi+3] [Bi+3] is A bismuth cation having a net electric charge of +3. It is also related to or classified as bismuth cation .
The molecule C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(O)CC[C@]12C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(O)CC[C@]12C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 9alpha-hydroxy-3-oxo-23,24-bisnorchola-4-en-22-oic acid. It is a conjugate acid of 9alpha-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA(4-) . It is also related to or classified as steroidal acyl-CoA .
The molecule C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(O)CC[C@]12C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(O)CC[C@]12C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is an acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dienoyl-CoA; major species at pH 7.3. It is also related to or classified as steroidal acyl-CoA(4-)  .