anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Cc1cn([C@H]2C[C@H](OP(O)(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](OP(O)(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O is A pyrimidine 2'-deoxyribonucleoside 3'-monophosphate having thymine as the nucleobase. It is a conjugate acid of thymidine 3'-monophosphate(2-) . It is also related to or classified as thymidine phosphate , pyrimidine 2'-deoxyribonucleoside 3'-monophosphate .
The molecule CC1=CC(=CC=C1)N=NC2=CC=C(C=C2)N(C)C is a member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 3 by a methyl group, while the other is substituted at position 4 by a dimethylamino group. It is a potent liver carcinogen. It has a role as a carcinogenic agent. It is a member of azobenzenes and a tertiary amino compound.
The molecule CC(C)[C@@]1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C is a 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid that has R configuration. It is a conjugate acid of a (R)-imazapyr(1-). It is an enantiomer of a (S)-imazapyr.
The molecule [C@@]12(CC[C@]3([C@](C[C@H](C([C@@H]3C)=O)O)([H])[C@@]1(CC[C@@]4([C@@]2(CC[C@@]5([C@]4(C[C@@](CC5)(C(O)=O)C)[H])C)C)C)C)C)[H] [C@@]12(CC[C@]3([C@](C[C@H](C([C@@H]3C)=O)O)([H])[C@@]1(CC[C@@]4([C@@]2(CC[C@@]5([C@]4(C[C@@](CC5)(C(O)=O)C)[H])C)C)C)C)C)[H] is A pentacyclic triterpenoid with formula C30H48O4, originally isolated from Tripterygium doianum. It has the role of plant metabolite . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as pentacyclic triterpenoid , hydroxy monocarboxylic acid , cyclic terpene ketone .
The molecule NCCCCNCCCNC(CCCC(O)=O)=O NCCCCNCCCNC(CCCC(O)=O)=O is iUPAC name: 5-((3-((4-aminobutyl)amino)propyl)amino)-5-oxopentanoic acid; SMID (https://www.smid-db.org/): maspid#4. It is also related to or classified as organic molecular entity .
The molecule S(Sc1ccncc1)c1ccncc1 S(Sc1ccncc1)c1ccncc1 is an organic disulfide obtained by formal oxidative dimerisation of 4-thiopyridine.  It is also related to or classified as organic disulfide  . It is also related to or classified as pyridines .
The molecule O([C@H]1[C@H](O)[C@H](OC(O)[C@@H]1O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO O([C@H]1[C@H](O)[C@H](OC(O)[C@@H]1O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO is A glucotriose that is D-glucopyranose in which the hydroxy groups at positions 3 and 6 have each been converted into the corresponding beta-D-glucopyranosyl derivative. Its functional parent is laminarabiose . Its functional parent is gentiobiose . It is also related to or classified as glucotriose .
The molecule C(C(CC(=O)O)O)C(=O)O is a 3 hydroxy carboxylic acid that is glutaric acid which is substituted by a hydroxy group at position 3. It is a diagnostic marker for glutaric aciduria type I. It has a role as a human urinary metabolite and a human blood serum metabolite. It is a 3-hydroxy carboxylic acid and an alpha,omega-dicarboxylic acid. It derives from a glutaric acid.
The molecule CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O is an anthracycline that is aklavinone having an alpha-L-rhodosaminyl residue attached at position 4 via a glycosidic linkage. It has a role as an antimicrobial agent, an antineoplastic agent and a metabolite. It is an anthracycline, an aminoglycoside, a deoxy hexoside, a monosaccharide derivative, a member of tetracenequinones, a methyl ester, a polyketide, a member of phenols and a tertiary alcohol. It derives from an aklavinone. It is a conjugate base of an aclacinomycin T(1+). It is a tautomer of an aclacinomycin T zwitterion.
The molecule [H+].CCCCCCOC(=O)/N=C(\\C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)/N is an organic cation that is the conjugate acid of dabigatran etexilate. It is a conjugate acid of a dabigatran etexilate.
The molecule NCCCNCCCCNC(CCCC(O)=O)=O NCCCNCCCCNC(CCCC(O)=O)=O is iUPAC name: 5-((4-((3-aminopropyl)amino)butyl)amino)-5-oxopentanoic acid; SMID (https://www.smid-db.org/): maspid#3. It is also related to or classified as organic molecular entity .
The molecule CC[NH+](CC)CC CC[NH+](CC)CC is an organoammonium cation having three ethyl substituents on the nitrogen atom. It is also related to or classified as ammonium ion derivative .
The molecule O([C@H]1[C@H](O)[C@H](O[C@@H](O)[C@@H]1O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO O([C@H]1[C@H](O)[C@H](O[C@@H](O)[C@@H]1O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO is A beta-D-Glcp-(1->3)-[beta-D-Glcp-(1->6)]-D-Glcp which has beta- configuration at the anomeric carbon of the non-terminal glucopyranose ring. It is also related to or classified as beta-D-Glcp-(1->3)-[beta-D-Glcp-(1->6)]-D-Glcp  .
The molecule C12=C3C(=CC=C1C=CC4=C2C(=CC=C4)O)C=CC=C3 C12=C3C(=CC=C1C=CC4=C2C(=CC=C4)O)C=CC=C3 is A hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 1 has been replaced by a hydroxy group. A metabolite of benzo[c]phenanthrene. It has the role of xenobiotic metabolite . It is also related to or classified as hydroxybenzo[c]phenanthrene .
The molecule O=C(NC1=CC=C(C=C1)CCN2CCC(N(C=3C=CC=CC3)C(=O)CC)CC2)CCS O=C(NC1=CC=C(C=C1)CCN2CCC(N(C=3C=CC=CC3)C(=O)CC)CC2)CCS is A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-{4-[2-(4-anilinopiperidin-1-yl)ethyl]phenyl}-3-sulfanylpropanamide with propanoic acid. It is synthetic analogue of fentanyl that is used as a hapten in the development of a fentanyl vaccine. It has the role of hapten . It is also related to or classified as anilide  . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as thiol  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as piperidines , tertiary amino compound .
The molecule C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)[O-])[NH3+])C[NH2+]CCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)[O-])[NH3+] is an organic cation that is the conjugate acid of trypanothione, arising from deprotonation of the carboxy groups and protonation of the primary and secondary amino groups; major species at pH 7.3. It is a conjugate acid of a trypanothione.
The molecule C1C[C@@H](CC(=O)C1)CC(=O)O is an oxo monocarboxylic acid that is acetic acid in with one of the methyl hydrogens is replaced by a 3-oxocyclohexyl group (the S-enantiomer). It has a role as a bacterial xenobiotic metabolite. It is an oxo monocarboxylic acid and an alicyclic ketone.
The molecule C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(=O)CSC3=NNC(=C4C=CC=CC4=O)O3 C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(=O)CSC3=NNC(=C4C=CC=CC4=O)O3 is 2-[[2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3,4-oxadiazol-5-yl]thio]acetic acid (4-phenylmethoxyphenyl) ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule CC(NCCCCNCCCNC(CC(O)=O)=O)=O CC(NCCCCNCCCNC(CC(O)=O)=O)=O is iUPAC name: 3-((3-((4-acetamidobutyl)amino)propyl)amino)-3-oxopropanoic acid; SMID (https://www.smid-db.org/): daspid#8. It is also related to or classified as organic molecular entity .
The molecule C1=CC=C(C=C1)[C@H](C(=O)[O-])O is a mandelate that is the conjugate base of (R)-mandelic acid. It is a conjugate base of a (R)-mandelic acid.
The molecule O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)CO)CO)[C@@H]3O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O)CO)CO)[C@@H]7O)CO[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O)CO O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)CO)CO)[C@@H]3O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O)CO)CO)[C@@H]7O)CO[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O)CO is A high mannose oligosaccharide consisting of three alpha-D-mannopyranose residues, a beta-D-mannopyranose residue, a 2-acetamido-beta-D-glucopyranosyl residue and a 2-acetamido-alpha-D-glucopyranosyl residues joined in sequence by (1->2), (1->2), (1->3), (1->4), and (1->4) glycosidic linkages, and in which the second mannosyl group from the chitobiose moiety is substituted at position 6 by a alpha-D-mannopyranosyl-(1->6)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)]-alpha-D-mannopyranosyl group. It is also related to or classified as high-mannose oligosaccharide , amino decasaccharide .
The molecule Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl is A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops. It has the role of antifungal agrochemical . Its functional parent is isophthalonitrile . It is also related to or classified as tetrachlorobenzene  . It is also related to or classified as dinitrile  . It is also related to or classified as aromatic fungicide .
The molecule CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)C(C)(C)C)C is a penicillanic acid ester that is the pivaloyloxymethyl ester of ampicillin. It is a prodrug of ampicillin. It has a role as a prodrug. It is a penicillanic acid ester and a pivaloyloxymethyl ester. It derives from an ampicillin.
The molecule CC(C)C[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 is an N-acyl-L-amino acid that is the N-indole-3-acetyl derivative of L-leucine. It is a N-acyl-L-amino acid, a L-leucine derivative and a N-(indole-3-acetyl)leucine.
The molecule CC(C)=CCc1c(O)cc2oc(cc(=O)c2c1O)-c1ccccc1 CC(C)=CCc1c(O)cc2oc(cc(=O)c2c1O)-c1ccccc1 is A dihydroxyflavone that is  chrysin substituted by a prenyl group at position 6. Its functional parent is chrysin .  It is also related to or classified as 7-hydroxyflavonol  . It is also related to or classified as dihydroxyflavone .
The molecule CC(NCCCNCCCCNC(CC(O)=O)=O)=O CC(NCCCNCCCCNC(CC(O)=O)=O)=O is iUPAC name: 3-((4-((3-acetamidopropyl)amino)butyl)amino)-3-oxopropanoic acid; SMID (https://www.smid-db.org/): daspid#7. It is also related to or classified as organic molecular entity .
The molecule S(O)(N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O[C@@H]1O)CO)(=O)=O S(O)(N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O[C@@H]1O)CO)(=O)=O is an amino disaccharide consisting of beta-D-glucopyranuronic acid residue joined by a (1->4) glycosidic linkage to a 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl residue. It is also related to or classified as amino disaccharide , glucosiduronic acid , sulfamic acids .
The molecule CC(=C)C1CCC(OC(=O)C1)(C)O is a terpene lactone that is oxepan-2-one bearing an isopropenyl substituent at position 4 as well as hydroxy and methyl substituents at position 7. It is an epsilon-lactone, a monoterpenoid and a terpene lactone.
The molecule CC(=O)OCCC1=CC=CC=C1 is the acetate ester of 2-phenylethanol. It has a role as a metabolite and a Saccharomyces cerevisiae metabolite. It derives from a 2-phenylethanol.
The molecule [H+].C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-] is a dicarboxylic acid monoanion obtained by removal of a proton from one of the carboxylic acid groups of 5-dehydro-4-deoxy-D-glucaric acid. It derives from a D-glucarate(1-). It is a conjugate base of a 5-dehydro-4-deoxy-D-glucaric acid. It is a conjugate acid of a 5-dehydro-4-deoxy-D-glucarate(2-).
The molecule C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O is trianion of UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine(3-) arising from deprotonation of diphosphate and carboxy groups and protonation of the side-chain amino group of the lysyl residue; major species at pH 7.3. It is a nucleotide-sugar oxoanion and a peptide anion. It is a conjugate base of an UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine.
The molecule CC(NCCCCNCCCNC(CCC(O)=O)=O)=O CC(NCCCCNCCCNC(CCC(O)=O)=O)=O is iUPAC name: 4-((3-((4-acetamidobutyl)amino)propyl)amino)-4-oxobutanoic acid; SMID (https://www.smid-db.org/): daspid#6. It is also related to or classified as organic molecular entity .
The molecule [H][C-]([H])[H] [H][C-]([H])[H] is methanide. It is a conjugate acid of methanediide . It is also related to or classified as hydrocarbyl anion .
The molecule COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br is 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid methyl ester. It is also related to or classified as pyrazoles , ring assembly .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H]1O[C@H]2[C@H](O)[C@@H](N)[C@H](O[C@@H]2CO)O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)CO O1[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H]1O[C@H]2[C@H](O)[C@@H](N)[C@H](O[C@@H]2CO)O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)CO is an amino tetrasaccharide comprising a linear chain of three alpha-D-mannose and one N-acetyl-alpha-D-glucosamine resides joined in sequence by (1->2), (1->6) and (1->2) glycosidic linkages. It is also related to or classified as amino tetrasaccharide .
The molecule C1Cc2cc3ccc(cc4ccc(cc5ccc(cc1[nH]2)n5)[nH]4)n3 C1Cc2cc3ccc(cc4ccc(cc5ccc(cc1[nH]2)n5)[nH]4)n3 is A tetrapyrrole fundamental parent that is obtained by formal hydrogenation across the 2,3-double bond of porphyrin. It is also related to or classified as chlorins  . It is also related to or classified as tetrapyrrole fundamental parent .
The molecule OC(=O)CCCCCNC(=O)c1ccc(O)c(c1)[N+]([O-])=O OC(=O)CCCCCNC(=O)c1ccc(O)c(c1)[N+]([O-])=O is A monocarboxylic acid amide  having an N-(5-carboxypentyl) substituent and a C-(4-hydroxy-3-nitrophenyl) substituent. Its functional parent is 6-aminohexanoic acid . It is also related to or classified as monocarboxylic acid , N-acyl-amino acid , 2-nitrophenols .
The molecule CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3 is 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors. It has a role as an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor and an antiviral drug.
The molecule CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)O)[C@H](C4=O)C(=O)OC)C)CO.[Mg+2] is a chlorophyllide, a dicarboxylic acid monoester and a methyl ester. It derives from a chlorophyllide a. It is a conjugate acid of a 7(1)-hydroxychlorophyllide a(1-).
The molecule CC(NCCCNCCCCNC(CCC(O)=O)=O)=O CC(NCCCNCCCCNC(CCC(O)=O)=O)=O is iUPAC name: 4-((4-((3-acetamidopropyl)amino)butyl)amino)-4-oxobutanoic acid; SMID (https://www.smid-db.org/): daspid#5. It is also related to or classified as organic molecular entity .
The molecule C12=CC(C3=C(C=C(C(=C3C)O)O)[C@@]1(CC[C@@]4([C@@]2(CC[C@@]5([C@]4(C[C@@](CC5)(C(O)=O)C)[H])C)C)C)C)=O C12=CC(C3=C(C=C(C(=C3C)O)O)[C@@]1(CC[C@@]4([C@@]2(CC[C@@]5([C@]4(C[C@@](CC5)(C(O)=O)C)[H])C)C)C)C)=O is A pentacyclic triterpenoid with formula C29H38O5, originally isolated from the stems of Tripterygium regelii. It has the role of plant metabolite .  It is also related to or classified as catechols  .   It is also related to or classified as enone  . It is also related to or classified as pentacyclic triterpenoid , hydroxy monocarboxylic acid , cyclic terpene ketone .
The molecule O([C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@]3(O[C@H]([C@H](NC(=O)C)[C@@H](O)C3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)CO)[C@H](O[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)[C@H]1NC(=O)C)CO)[C@@H]5[C@@H](O)[C@H](O[C@H]6[C@H](O[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)[C@@H](NC(=O)C)[C@@H](O[C@@H]6CO)O[C@@H]8[C@@H](O)[C@@H](O[C@@H]([C@@H]8O)CO)O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@@H]9CO)O)O[C@@H]([C@@H]5O)CO O([C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@]3(O[C@H]([C@H](NC(=O)C)[C@@H](O)C3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)CO)[C@H](O[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)[C@H]1NC(=O)C)CO)[C@@H]5[C@@H](O)[C@H](O[C@H]6[C@H](O[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)[C@@H](NC(=O)C)[C@@H](O[C@@H]6CO)O[C@@H]8[C@@H](O)[C@@H](O[C@@H]([C@@H]8O)CO)O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@@H]9CO)O)O[C@@H]([C@@H]5O)CO is A branched amino nonasaccharide comprising a linear heptasaccharide chain consisting of N-acetylalpha-neuraminic acid, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, and beta-D-glucose residues, linked sequentially (2->3), (1->4), (1->3), (1->4), (1->3), and (1->4), with alpha-L-fucosyl residues linked (1->3) to each of the N-acetyl-D-glucosamine residues. It is also related to or classified as N-acetylneuraminic acids , amino nonasaccharide .
The molecule C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CO3 C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CO3 is 2-furancarboxylic acid [2-(cyclohexylamino)-2-oxo-1-phenylethyl] ester. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule COc1cc(ccc1O)\C=C\c1ccc(O)c(OC)c1 COc1cc(ccc1O)\C=C\c1ccc(O)c(OC)c1 is 3,3'-dimethoxy-trans-stilbene-4,4'-diol. Its functional parent is trans-stilbene-4,4'-diol . It is also related to or classified as 3,3'-dimethoxystilbene-4,4'-diol  .
The molecule COc1cc(ccc1O)\C=C/c1ccc(O)c(OC)c1 COc1cc(ccc1O)\C=C/c1ccc(O)c(OC)c1 is 3,3'-dimethoxy-cis-stilbene-4,4'-diol. Its functional parent is cis-stilbene-4,4'-diol . It is also related to or classified as 3,3'-dimethoxystilbene-4,4'-diol  .
The molecule CC(=C)CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O is a hydrocarbyladenosine in which adenosine is substituted at N-6 by an isopentenyl group. It has a role as a cytokinin. It is a hydrocarbyladenosine and an isoprenoid.
The molecule C(CCCC(=O)O)CC/C(=C/C(=O)O)/O is a dicarboxylic acid that is dec-2-enedioic acid substituted at position 3 by a hydroxy group (the Z-geoisomer). It is a dicarboxylic acid, an enol and a 3-hydroxy carboxylic acid.
The molecule CC(NCCCCNCCCNC(CCCC(O)=O)=O)=O CC(NCCCCNCCCNC(CCCC(O)=O)=O)=O is iUPAC name: 5-((3-((4-acetamidobutyl)amino)propyl)amino)-5-oxopentanoic acid; SMID (https://www.smid-db.org/): daspid#4. It is also related to or classified as organic molecular entity .
The molecule Nc1nc(nc(C([O-])=O)c1Cl)C1CC1 Nc1nc(nc(C([O-])=O)c1Cl)C1CC1 is the monocarboxylic acid anion that is the conjugate base of aminocyclopyrachlor formed by loss of a proton from thecarboxy group. It is also related to or classified as monocarboxylic acid anion  .
The molecule OC[C@@H](O)[C@@H](O)[C@](O)(CO)C(O)=O OC[C@@H](O)[C@@H](O)[C@](O)(CO)C(O)=O is the 2-carboxy derivative of D-arabinitol. Its functional parent is D-arabinitol . It is a conjugate acid of 2-carboxylato-D-arabinitol(1-) . It is also related to or classified as arabinonic acid derivative .
The molecule O=C1O[C@@H](CC=2C1=C(O)C3=C(O)C=C(OC)C(=C3C2)C4=C(OC)C=C(O)C5=C4C=C(CC(O)CC(=O)OC)C(C5=O)=O)CC(=O)OC O=C1O[C@@H](CC=2C1=C(O)C3=C(O)C=C(OC)C(=C3C2)C4=C(OC)C=C(O)C5=C4C=C(CC(O)CC(=O)OC)C(C5=O)=O)CC(=O)OC is Cladosporinone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)CO)CO)[C@@H]3O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O)CO O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)CO)CO)[C@@H]3O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O)CO is A high-mannose oligosaccharide that is alpha-D-Manp-(1->6)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-2-D-GlcpNAc inomeric hydroxy group of the terminal N-acetamidoglucose residue has alpha configuration. It is also related to or classified as alpha-D-Manp-(1->6)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-2-D-GlcpNAc  .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)CO)O[C@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)OCCCCCN)CO)NC(=O)C)NC(=O)C)O)O is a linear trisaccharide derivative consisting of N-acetyl-alpha-L-fucosaminyl, N-acetyl-alpha-D-galactosaminyl and alpha-D-galactosyl residues linked sequentially (1->3) and (1->4), and at the reducing end linked glycosidically to a 5-aminopentyl group. It is a glycoside and a trisaccharide derivative.
The molecule CC(=O)C1=C(C=C(OC1=O)CCC(=O)O)O is an oxo monocarboxylic acid that is propionic acid carrying a 3-acetyl-4-hydroxy-2-oxo-2H-pyran-6-yl group at position 3; it is produced by the fungus Aspergillus oryzae It has a role as a fungal metabolite. It is an oxo monocarboxylic acid, a methyl ketone, an aromatic ketone and a member of 2-pyranones.
The molecule N(CCCNCCCCNC(CCCC(O)=O)=O)C(C)=O N(CCCNCCCCNC(CCCC(O)=O)=O)C(C)=O is iUPAC name: 5-((4-((3-acetamidopropyl)amino)butyl)amino)-5-oxopentanoic acid; SMID (https://www.smid-db.org/): daspid#3. It is also related to or classified as organic molecular entity .
The molecule S1S[C@]2(N(C)C([C@@]3(S1)N([C@@H]4C[C@]5(O[C@H](C)C(C5=O)(C)C)[C@H]([C@@]4(C3)O)OC(=O)C)C2=O)=O)CO S1S[C@]2(N(C)C([C@@]3(S1)N([C@@H]4C[C@]5(O[C@H](C)C(C5=O)(C)C)[C@H]([C@@]4(C3)O)OC(=O)C)C2=O)=O)CO is Sirodesmin J. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O=C[C@@]12[C@]([C@]3([C@@]([C@@]4([C@@](CC3)([C@@]5(C[C@@](CC[C@@]5(CC4)C)(C(O)=O)C)[H])C)C)(CC1)[H])C)(CC(=O)C(O)=C2C)[H] O=C[C@@]12[C@]([C@]3([C@@]([C@@]4([C@@](CC3)([C@@]5(C[C@@](CC[C@@]5(CC4)C)(C(O)=O)C)[H])C)C)(CC1)[H])C)(CC(=O)C(O)=C2C)[H] is A pentacyclic triterpenoid with formula C30H44O5, originally isolated from the bark of Tripterygium wilfordii. It has the role of plant metabolite .  It is also related to or classified as enol  .   It is also related to or classified as enone  . It is also related to or classified as pentacyclic triterpenoid , hydroxy monocarboxylic acid , cyclic terpene ketone , aliphatic aldehyde .
The molecule O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)CO)CO)[C@@H]3O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O)CO)[C@@H]7O)CO O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)CO)CO)[C@@H]3O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O)CO)[C@@H]7O)CO is A high-mannose oligosaccharide that is beta-D-mannopyranose in which the hydrogens of hydroxy groups are replaced by a 3-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl group at position 6, a alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl group at position 3, and a chitobiose group at position 1. Its functional parent is alpha-D-Manp-(1->6)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc . It is also related to or classified as high-mannose oligosaccharide , amino octasaccharide .