anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COP([O-])(=O)OCCNC(N)=[NH2+] COP([O-])(=O)OCCNC(N)=[NH2+] is zwitterionic form of guanidinoethyl methyl phosphate arising from transfer of a proton from the phospho to the guanidino group; major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule C(C1=C(C(=C(C(=C1F)F)F)F)F)O is an organofluorine compound that is benzyl alcohol substituted by fluoro groups at positions 2, 3, 4, 5 and 6. It is a member of benzyl alcohols and an organofluorine compound.
The molecule C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(C)=O)C([O-])=O C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(C)=O)C([O-])=O is the carbohydrate acid derivative anion formed by loss of a proton from the carboxy group of N-acetyl-alpha-D-muramoyl-L-alanine; principal microspecies at pH 7.3. It is also related to or classified as N-acetyl-D-muramoyl-L-alaninate  .
The molecule C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]3C(=O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)NS(=O)(=O)O)O[C@H]5[C@@H]([C@H]([C@@H](O[C@H]5C(=O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)NS(=O)(=O)O)O[C@H]7[C@@H]([C@H]([C@@H](O[C@H]7C(=O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)NS(=O)(=O)O)O[C@H]9[C@@H]([C@H]([C@@H](O[C@H]9C(=O)O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)NS(=O)(=O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1C(=O)O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)NS(=O)(=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O)COS(=O)(=O)O)C(=O)O is a heparin dodecasaccharide consisting of 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, 2-O-sulfo-alpha-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, 2-O-sulfo-alpha-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, 2-O-sulfo-alpha-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, 2-O-sulfo-alpha-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, 2-O-sulfo-alpha-L-idopyranuronosyl, and 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose units joined in sequence by (1->4) linkages. Sequence: DUAp2S-(1-4)-a-D-GlcNpS6S-(1-4)-a-L-IdoAp2S-(1-4)-a-D-GlcNpS6S-(1-4)-a-L-IdoAp2S-(1-4)-a-D-GlcNpS6S-(1-4)-a-L-IdoAp2S-(1-4)-a-D-GlcNpS6S-(1-4)-a-L-IdoAp2S-(1-4)-a-D-GlcNpS6S-(1-4)-a-L-IdoAp2S-(1-4)-a-D-GlcNpS6S. It is a heparin dodecasaccharide, an oligosaccharide sulfate and an amino oligosaccharide.
The molecule CCC(C)(O)C(=O)C(O)=O CCC(C)(O)C(=O)C(O)=O is A 3-hydroxylated derivative of 3-methyl-2-oxovaleric acid. Its functional parent is valeric acid . It is a conjugate acid of 3-hydroxy-3-methyl-2-oxopentanoate . It is also related to or classified as tertiary alpha-hydroxy ketone  .  It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as hydroxy fatty acid , 3-hydroxy monocarboxylic acid , oxo fatty acid .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C is 3-fluoro-N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC1=CC(=CC(=C1O[C@@H](CO)[C@@H](C2=CC(=C(C=C2)O)OC)O)OC)C3=CC(=O)C4=C(C=C(C=C4O3)O)O is a flavonolignan isolated from the stems of natural product found in Sinocalamus affinis. It has a role as a plant metabolite. It is a flavonolignan, a polyphenol and a dimethoxybenzene.
The molecule O=C1N(CC(=O)O[C@H]([C@@H](C(=O)[C@@](O)(C)C(NCC(NC(C=C1)=C)=O)=O)C)CCCCCCCCCCCCCCC)C O=C1N(CC(=O)O[C@H]([C@@H](C(=O)[C@@](O)(C)C(NCC(NC(C=C1)=C)=O)=O)C)CCCCCCCCCCCCCCC)C is BE-43547-C2. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule C=C1C[C@H]1C[C@@H](C(=O)O)N is a non-proteinogenic L-alpha-amino acid and a 2-amino-3-(2-methylenecyclopropyl)propanoic acid. It has a role as a phytotoxin and a plant metabolite.
The molecule CC(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@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)cc1 CC(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@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)cc1 is the S-(4-coumaroyl) derivative of coenzyme A. Its functional parent is cinnamoyl-CoA . Its functional parent is 4-coumaric acid . It is a conjugate acid of 4-coumaroyl-CoA(4-) . It is also related to or classified as monounsaturated fatty acyl-CoA , 2-enoyl-CoA .
The molecule CC(=O)NCCc1c[nH]c2ccccc12 CC(=O)NCCc1c[nH]c2ccccc12 is A tryptamine compound having an acetyl substituent attached to the side-chain amino function. Its functional parent is tryptamine . It is also related to or classified as acetamides , indoles .
The molecule C1C(CC(=O)C=C1[O-])O is an organic anion that is the conjugate base of dihydrophloroglucinol, obtained by deprotonation of the enolic hydroxy group; major species at pH 7.3. It is a conjugate base of a dihydrophloroglucinol.
The molecule COc1cc(C)c(\C=C\C(C)=C\C=C\C(C)=C\C(O)=O)c(C)c1C COc1cc(C)c(\C=C\C(C)=C\C=C\C(C)=C\C(O)=O)c(C)c1C is all-trans-acitretin. It has the role of keratolytic drug . It is also related to or classified as acitretin  .  It is also related to or classified as retinoid  . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid .
The molecule OCC(=O)C(O)=O OCC(=O)C(O)=O is A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a hydroxy group. It is an intermediate involved in the glycine and serine metabolism. It has the role of Escherichia coli metabolite . It has the role of human metabolite . Its functional parent is pyruvic acid . It is a conjugate acid of 3-hydroxypyruvate . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as 3-hydroxy monocarboxylic acid .
The molecule CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31 is a phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position. It has a role as a dopaminergic antagonist, a H1-receptor antagonist, a muscarinic antagonist, a serotonergic antagonist, a phenothiazine antipsychotic drug, an antiemetic and an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor. It is a member of phenothiazines and a tertiary amine.
The molecule CCCCNCC(=O)Nc1c(C)cccc1Cl CCCCNCC(=O)Nc1c(C)cccc1Cl is an amino acid amide amide in which N-butylglycine and 2-chloro-6-methylaniline have combined to form the amide bond; used as a local anaesthetic (amide caine). It has the role of local anaesthetic . It is also related to or classified as amino acid amide , monochlorobenzenes .
The molecule C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)C[C@@H](N)C(O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)C(O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(O)=O)C(O)=O C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)C[C@@H](N)C(O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)C(O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(O)=O)C(O)=O is an N-acetyl-beta-D-glycosaminyl glycopeptide consisting of an N-acetyl-beta-D-glycosaminyl-(1->4)-N-acetylmuramoyl moiety attached to the amino terminus of the pentapeptide L-Ala-gamma-D-Glu-N(6)-(beta-D-Asp)-L-Lys-D-Ala-D-Ala via an amide linkage. It is also related to or classified as N-acetyl-beta-D-glycosaminyl glycopeptide .
The molecule OC(=O)C(=O)Cc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O OC(=O)C(=O)Cc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O is A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3,5-dinitro-4-hydroxyphenyl group. Its functional parent is pyruvic acid . Its functional parent is 2,6-dinitrophenol . It is also related to or classified as phenols  .  It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as C-nitro compound .
The molecule OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O is A L-galactopyranose with an alpha-configuration at the anomeric center. It is also related to or classified as L-galactopyranose  .
The molecule CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C(=C3CCC(=O)[O-])C)CCC(=O)[O-].[Fe] is dicarboxylate anion of ferroheme b; major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite and a cofactor. It is a cyclic tetrapyrrole anion and a dicarboxylic acid dianion. It is a conjugate base of a ferroheme b.
The molecule C1(O)[C@H](O)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H](O)[C@H](O1)C([O-])=O C1(O)[C@H](O)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H](O)[C@H](O1)C([O-])=O is major species at pH 7.3. It is also related to or classified as disaccharide  .
The molecule C[C@H](CCC(=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)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5[C@@H](CC7=CC(=O)CC[C@]67C)O)O)C is a steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 7alpha,12alpha-3-oxochol-4-en-24-oic acid. It derives from a 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oic acid. It is a conjugate acid of a 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oyl-CoA(4-).
The molecule CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)OS(=O)(=O)O)O)O is a beta-D-galactoside that is the methyl glycoside of a disaccharide consisting of a 3-O-sulfo-beta-D-glucuronic acid residue linked (1->3) to beta-D-galactose. It is a beta-D-galactoside and a disaccharide derivative. It is a conjugate acid of a beta-D-GlcA3S-(1->3)-beta-D-Gal-OMe(2-).
The molecule O1[C@@]2([C@H](O)[C@@H](OC)C3=CC=C(N3[C@@H]4[C@H]1[C@H](N5C(C)=CC=C5[C@H]24)C)C)[C@@H](O)C O1[C@@]2([C@H](O)[C@@H](OC)C3=CC=C(N3[C@@H]4[C@H]1[C@H](N5C(C)=CC=C5[C@H]24)C)C)[C@@H](O)C is Bipolamine G. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .
The molecule OC(=O)C(=O)CS(O)=O OC(=O)C(=O)CS(O)=O is A pyruvic acid compound having a 3-sulfinyl substituent. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is pyruvic acid . It is a conjugate acid of 3-sulfinatopyruvate(2-) .  It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as organosulfinic acid  . It is also related to or classified as sulfur-containing carboxylic acid .
The molecule CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@@H](CO2)C)C)C)OC)C CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@@H](CO2)C)C)C)OC)C is N-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Oc1ccc(O)c(c1)C([O-])=O Oc1ccc(O)c(c1)C([O-])=O is A  dihydroxybenzoate that is the conjugate base of 2,5-dihydroxybenzoic acid; major species at pH 7.3. It has the role of fungal metabolite . It has the role of human metabolite . It is also related to or classified as dihydroxybenzoate  .
The molecule C1(C(=O)OCC)(CC[NH+](CC1)C)C2=CC=CC=C2 C1(C(=O)OCC)(CC[NH+](CC1)C)C2=CC=CC=C2 is an ammonium ion derivative that is the conjugate acid of pethidine, obtained from the protonation of the piperidine moiety. It is the major microspecies at pH 7.3. It is a conjugate acid of pethidine . It is also related to or classified as ammonium ion derivative .
The molecule CC(=O)OCC[C@@H](C(=O)O)N is the O-acetyl derivative of L-homoserine. It has a role as a Saccharomyces cerevisiae metabolite. It is an O-acetylhomoserine and an acetyl-amino acid. It derives from a L-homoserine. It is an enantiomer of an O-acetyl-D-homoserine. It is a tautomer of an O-acetyl-L-homoserine zwitterion.
The molecule [H]C(=O)Nc1ccccc1C(=O)C[C@@H](N)C(O)=O [H]C(=O)Nc1ccccc1C(=O)C[C@@H](N)C(O)=O is A formamide that is the D-enantiomer of N-formylkynurenine. It is also related to or classified as D-alpha-amino acid  . It is also related to or classified as formamides .
The molecule O=C1N(CC(=O)O[C@H]([C@@H](C(=O)[C@@](O)(C)C(NCC(NC(C=C1)=C)=O)=O)C)CCCCCCCCCCCCCC)C O=C1N(CC(=O)O[C@H]([C@@H](C(=O)[C@@](O)(C)C(NCC(NC(C=C1)=C)=O)=O)C)CCCCCCCCCCCCCC)C is BE-43547-B3. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule B1(C2=CC=CC=C2C=NN1S(=O)(=O)C3=CC=C(C=C3)C)O is a organonitrogen heterocyclic compound consisting of 2,3,1-benzodiazaborinine substituted at positions 1 and 2 by hydroxy and 4-toluenesufonyl groups respectively. It is an organoboron compound, an organonitrogen heterocyclic compound and a sulfonamide.
The molecule CCC(CN1CCOCC1)[N+]([O-])=O CCC(CN1CCOCC1)[N+]([O-])=O is morpholine substituted at nitrogen by a 2-nitrobutyl group. It has the role of antimicrobial agent . It has the role of allergen . It is also related to or classified as morpholines .
The molecule CC1=C(C(=O)N=N1)NNC2=CC=CC=C2C#N CC1=C(C(=O)N=N1)NNC2=CC=CC=C2C#N is 2-[(3-methyl-5-oxo-4-pyrazolyl)hydrazo]benzonitrile. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCCCCCCCC([O-])=O CCCCCCCCCCCCCCCCCCCCC([O-])=O is A long-chain fatty acid anion resulting from the deprotonation of the carboxy group of henicosanoic acid. Major species at pH 7.3.  It is also related to or classified as fatty acid anion 21:0  . It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as straight-chain saturated fatty acid anion .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=C(C=CC(=C3)F)F C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=C(C=CC(=C3)F)F is N-[(4R,7S,8S)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)O is the beta-anomer of D-fructofuranose 2-phosphate. It derives from a beta-D-fructofuranose. It is a conjugate acid of a beta-D-fructofuranose 2-phosphate(2-).
The molecule CC1=C(C=CO1)C(=O)NN=C(C)C2=CN=CC=C2 CC1=C(C=CO1)C(=O)NN=C(C)C2=CN=CC=C2 is 2-methyl-N-[1-(3-pyridinyl)ethylideneamino]-3-furancarboxamide. Its functional parent is 3-furoic acid . It is also related to or classified as furoic acid .
The molecule C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)I is a member of the class of phenylureas that is urea in which a hydrogen attached to one nitrogen is replaced by a cyclohexyl group and a hydrogen attached to the other nitrogen is replaced by a p-iodophenyl group. It is an organoiodine compound and a member of phenylureas.
The molecule OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)C(O)O[C@H](CO)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)C(O)O[C@H](CO)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A trisaccharide consisting of three beta-(1->3)-linked D-glucopyranose units with undefined stereochemistry at the reducing end. It is also related to or classified as trisaccharide .
The molecule OCCCCCCCCCCCCCCCCCCCCC(O)=O OCCCCCCCCCCCCCCCCCCCCC(O)=O is an omega-hydroxy-long-chain fatty acid that is henicosanoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. Its functional parent is henicosanoic acid . It is a conjugate acid of 21-hydroxyhenicosanoate . It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as straight-chain saturated fatty acid .
The molecule CCC(=O)N1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3CCCCC3)OC[C@H]1C)C)OC)C CCC(=O)N1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3CCCCC3)OC[C@H]1C)C)OC)C is N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@@H]1O OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@@H]1O is A keto-disaccharide that is maltose in which the glucosyl 3'-hydroxy group has been reduced to a keto group. It is also related to or classified as glycosyl glycoside , keto-disaccharide .
The molecule CN=C(NO)N(CCC[C@@H](C(=O)[O-])[NH3+])O is an L-arginine derivative in which the delta-nitrogen atoms carries a hydroxy group, one of the omega-nitrogen atoms carries a hydroxy group and the other omega-nitrogen atoms carries a methyl group; major species at pH 7.3. It is an amino acid zwitterion and a non-proteinogenic L-alpha-amino acid. It derives from a L-arginine derivative.
The molecule [H]C(C(O)=O)=C1OC(=O)C=C1 [H]C(C(O)=O)=C1OC(=O)C=C1 is A butenolide having a carboxymethylene group at the 4-position. It is a conjugate acid of 4-carboxylatomethylenebut-2-en-4-olide . It is also related to or classified as butenolide  .
The molecule CCCC\C=C/CCCCCCCCCc1cccc(O)c1O CCCC\C=C/CCCCCCCCCc1cccc(O)c1O is catechol carrying a pentadecenyl substituent at position 3. It has the role of allergen . It is also related to or classified as catechols  .
The molecule O.Cl.[Cl-].[H][C@]12SCC(C[N+]3(C)CCCC3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O O.Cl.[Cl-].[H][C@]12SCC(C[N+]3(C)CCCC3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O is A hydrochloride that is the monohydrate of the dihydrochloride salt of cefepime. It has the role of antibacterial drug . It is also related to or classified as cephalosporin  . It is also related to or classified as hydrate , hydrochloride .
The molecule C(C(C1=C(C(=O)C(=O)O1)[O-])O)O is conjugate base of dehydroascorbic acid arising from removal of the acidic proton at the C-2 position; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a dehydroascorbic acid.
The molecule OCCCCCCCCCCCCCCCCCCCC(O)=O OCCCCCCCCCCCCCCCCCCCC(O)=O is an omega-hydroxy-long-chain fatty acid that is icosanoic acid (arachidonic acid) in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. Its functional parent is icosanoic acid . It is a conjugate acid of 20-hydroxyicosanoate . It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as straight-chain saturated fatty acid .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@@H](CO2)C)C(=O)CN3CCOCC3)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@@H](CO2)C)C(=O)CN3CCOCC3)C)OC)C is N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-8-[2-(4-morpholinyl)-1-oxoethyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCC(C)C)O)O is an N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 17 carbons and 0 double bonds and is 2-hydroxylated. It derives from a 15-methylhexadecasphing-4-enine.
The molecule C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)O C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)O is 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(4-hydroxyphenyl)-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
The molecule [H][C@@]1(NC(=O)Cc2csc(N)n2)C(=O)N2C(C(=O)OC(C)OC(=O)OC3CCCCC3)=C(CSc3nnnn3CCN(C)C)CS[C@]12[H] [H][C@@]1(NC(=O)Cc2csc(N)n2)C(=O)N2C(C(=O)OC(C)OC(=O)OC3CCCCC3)=C(CSc3nnnn3CCN(C)C)CS[C@]12[H] is the 1-(cyclohexyloxycarbonyloxy)ethyl ester of cefotiam. It is used as its dihydrochloride salt as a prodrug for cefotiam. It has the role of prodrug . Its functional parent is cefotiam . It is also related to or classified as carboxylic ester  .
The molecule CC(C)(C)NC(=O)[C@H]1C[NH2+]CCN1 is the cation resulting from the protonation of the amino group at the 4 position of (R)-N-tert-butylpiperazine-2-carboxamide. It is a conjugate acid of a (R)-N-tert-butylpiperazine-2-carboxamide.
The molecule CC(=O)c1c(O)cc(O)c(C(C)=O)c1O CC(=O)c1c(O)cc(O)c(C(C)=O)c1O is A benzenetriol that is phloroglucinol in which two of the ring hydrogens are replaced by acetyl groups. It has the role of antifungal agent . It has the role of bacterial metabolite . Its functional parent is phloroglucinol . It is a conjugate acid of 2,4-diacetylphloroglucinol(1-) .  It is also related to or classified as diketone  . It is also related to or classified as benzenetriol , methyl ketone , aromatic ketone .
The molecule C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C is N-[(5R,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)CC(=O)C1=C(C2=C(C=C1CC(=O)[O-])C(=O)C3=C(C2=O)C(=CC=C3)O)[O-] is an oxo monocarboxylic acid anion obtained by deprotonation of the carboxy as well as the 5-hydroxy group of nogalonic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is an oxo monocarboxylic acid anion and a phenolate anion. It is a conjugate base of a nogalonic acid.
The molecule O=C1N(CC(=O)O[C@H]([C@@H](C(=O)[C@@](O)(C)C(NCC(NC(C=C1)=C)=O)=O)C)CCCCCCCCCCCCC(C)C)C O=C1N(CC(=O)O[C@H]([C@@H](C(=O)[C@@](O)(C)C(NCC(NC(C=C1)=C)=O)=O)C)CCCCCCCCCCCCC(C)C)C is BE-43547-C1. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule O1C2=C(C(=O)C(OC)=C1C3=CC=C(OC)C=C3)C=CC(O)=C2OC O1C2=C(C(=O)C(OC)=C1C3=CC=C(OC)C=C3)C=CC(O)=C2OC is 7-Hydroxy-3,4',8-trimethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\\CCCCCCCC is an alpha-D-Glc-(1->3')-1,2-diacylglycerol in which the acyl groups at positions 1 and 2 are oleoyl [(9Z)-octadec-9-enoyl] and palmitoyl (hexadecanoyl) respectively.
The molecule C(=O)([O-])P(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+].[Na+] is the hexahydrate form of trisodium phosphonoformate. It is used as an antiviral agent in the treatment of cytomegalovirus retinitis (CMV retinitis, an inflamation of the retina that can lead to blindness) and as an alternative to ganciclovir for AIDS patients who require concurrent antiretroviral therapy but are unable to tolerate ganciclovir due to haematological toxicity. It has a role as an antiviral drug. It is a hydrate and a one-carbon compound. It contains a trisodium phosphonoformate.
The molecule COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C(O)=C2O1 COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C(O)=C2O1 is A dimethoxyflavone that is flavone carrying hydroxy groups at positions 5, 7, and 8, and methoxy groups at positions 4' and 6. It has the role of plant metabolite . Its functional parent is 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one . It is also related to or classified as dimethoxyflavone , trihydroxyflavone .