anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C=12[C@@]34[C@@]5([C@H]([NH+](C)CC3)CC1C=CC(=C2O[C@H]4C(=O)CC5)OC)O C=12[C@@]34[C@@]5([C@H]([NH+](C)CC3)CC1C=CC(=C2O[C@H]4C(=O)CC5)OC)O is an organic cation that is the conjugate acid of oxycodone, obtained by protonation of the tertiary amino group of oxycodone. It is a conjugate acid of oxycodone . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C[C@H]1OC)C)C C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C[C@H]1OC)C)C is 1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=NN(C(=O)C1)c1ccccc1 CC1=NN(C(=O)C1)c1ccccc1 is A pyrazolone that is 2,4-dihydro-3H-pyrazol-3-one which is substituted at positions 2 and 5 by phenyl and methyl groups, respectively. It has the role of antioxidant . It has the role of radical scavenger . It is also related to or classified as pyrazolone .
The molecule [H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H]([NH3+])C([O-])=O)C([O-])=O [H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H]([NH3+])C([O-])=O)C([O-])=O is conjugate base of deacetoxycephalosporin C. It is also related to or classified as cephalosporin carboxylic acid anion .
The molecule C1CCNC(=O)/C=C/C2=CC(=C(C=C2)OS(=O)(=O)O)OC3=CC=C(C=C3)/C=C/C(=O)NCCCNC1 is a spermidine alkaloid with formula C25H29N3O7S that is biosynthesised by Arabidopsis thaliana. It has a role as a plant metabolite. It is an aryl sulfate, an azamacrocycle, a cyclic ether, an aromatic ether, a secondary amino compound, an enamide, a spermidine alkaloid and a secondary carboxamide. It derives from a 4-coumaric acid.
The molecule CC1=CC(O)=C(C)C=C1 CC1=CC(O)=C(C)C=C1 is A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 5. It has the role of volatile oil component . It has the role of animal metabolite . It is also related to or classified as phenols  .
The molecule O[As](O)([O-])=O O[As](O)([O-])=O is an arsenate ion resulting from the removal of one proton from arsenic acid. It is a conjugate acid of arsenate(2-) . It is also related to or classified as arsenate ion .
The molecule CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC is an organic heterotetracyclic compound that is 1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene which is substituted by a methoxy group at position 6 and a methyl group at position 11. It is an aromatic ether, a morphinane alkaloid, a morphinane-like compound and an organic heterotetracyclic compound.
The molecule [C@@]123[C@@H](NC4=C1C=CC=C4)[C@](C[C@]5([C@@H]2N(CC=C5)CC3)CC)(C(=O)OC)O [C@@]123[C@@H](NC4=C1C=CC=C4)[C@](C[C@]5([C@@H]2N(CC=C5)CC3)CC)(C(=O)OC)O is A monoterpenoid indole alkaloid obtained by formal hydration across the 2,3-double bond of tabersonine. It has the role of plant metabolite . Its functional parent is tabersonine . It is also related to or classified as methyl ester  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as organic heteropentacyclic compound , alkaloid ester , tertiary amino compound , monoterpenoid indole alkaloid .
The molecule CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CN=CC=C3)C CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CN=CC=C3)C is N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-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 C(CCCCCCCCSC)=NO C(CCCCCCCCSC)=NO is an aliphatic aldoxime resulting from the formal condensation of 9-(methylsulfanyl)nonanal with hydroxylamine. It is also related to or classified as aliphatic aldoxime  .
The molecule C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC is LSM-13798. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CSCCC[C@@H](C(=O)O)NO is a class of N-hydroxy-alpha-amino-acids consisting of homologues of N-hydroxymethionine where there is a minimum of four methylene groups between the alpha-carbon and sulfur atoms. It is a N-hydroxy-alpha-amino-acid and a methyl sulfide. It is a conjugate acid of a N-hydroxy-L-polyhomomethioninate.
The molecule COC(=O)[C@H]1C(=O)c2c(C)c3C=C4C(C=C)=C(C)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC([O-])=O)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61 COC(=O)[C@H]1C(=O)c2c(C)c3C=C4C(C=C)=C(C)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC([O-])=O)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61 is A cyclic tetrapyrrole anion that is the conjugate base of divinyl chlorophyllide a, arising from deprotonation of the carboxy group. It is a conjugate acid of divinyl chlorophyllide a(2-) . It is also related to or classified as cyclic tetrapyrrole anion .
The molecule Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O is A pyrimidine 2'-deoxyribonucleoside that is the L-enantiomer of thymine. A synthetic thymidine nucleoside analogue with activity against HBV DNA polymerase. It has the role of antiviral drug . It has the role of EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor . Its functional parent is thymine . It is also related to or classified as pyrimidine 2'-deoxyribonucleoside .
The molecule C/C=C/C=C/CO is a medium-chain primary fatty alcohol that is hexan-1-ol with two trans double bonds at positions 2 and 4. It has a role as a fragrance and a flavouring agent. It is a primary allylic alcohol, a medium-chain primary fatty alcohol and an alkenyl alcohol.
The molecule S(C(=O)C/C=C/C=C\CCCCCC)CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O S(C(=O)C/C=C/C=C\CCCCCC)CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O is A medium-chain unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3E,5Z)-dodecadienoic acid. It is a conjugate acid of (3E,5Z)-dodecadienoyl-CoA(4-) .  It is also related to or classified as (3E,5Z)-dienoyl-CoA  . It is also related to or classified as medium-chain fatty acyl-CoA , unsaturated fatty acyl-CoA .
The molecule O(C(=O)CCCCCCC\C=C\CCCCCCCC)C O(C(=O)CCCCCCC\C=C\CCCCCCCC)C is Methyl (9E)-9-octadecenoate. It is also related to or classified as fatty acid methyl ester  .
The molecule C(\CCCCCCCCSC)=N/O C(\CCCCCCCCSC)=N/O is an 8-(methylsulfanyl)nonanal oxime in which the oxime moiety has E configuration.  It is also related to or classified as 9-(methylsulfanyl)nonanal oxime  . It is also related to or classified as omega-(methylsulfanyl)-(E)-alkanal oxime .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C4=CC=CC(=C4)F C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C4=CC=CC(=C4)F is N-[(5S,6R,9R)-8-(3-fluorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCC(=S)OC(C)C CCCCCC(=S)OC(C)C is O-propan-2-yl hexanethioate. Its functional parent is propan-2-ol . It is also related to or classified as thionoester  .
The molecule O[C@H](COP([O-])([O-])=O)[C@@H](O)C(=O)COP([O-])([O-])=O O[C@H](COP([O-])([O-])=O)[C@@H](O)C(=O)COP([O-])([O-])=O is tetraanion of D-ribulose 1,5-bisphosphate arising from deprotonation of all four phosphate OH groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule CCCCC[C@@H](/C=C/C1=C(C(=O)CC1)CCCCCCC(=O)[O-])O is a prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin B1, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an organic molecular entity, a prostaglandins B and a prostaglandin carboxylic acid anion. It is a conjugate base of a prostaglandin B1.
The molecule O=c1[nH]sc2ccccc12 O=c1[nH]sc2ccccc12 is an organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion. It has the role of sensitiser . It has the role of xenobiotic . It has the role of disinfectant . It has the role of platelet aggregation inhibitor . It has the role of environmental contaminant . It has the role of drug allergen . It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .
The molecule C[C@H]1C[C@H]2[C@@]34[C@@H]([C@H]5[C@@]6([C@@H]([C@@H]3[C@H]7[C@](O7)([C@H]([C@@]2([C@H]1OC(=O)/C=C/C=C\\[C@H]([C@H]8CC[C@@H]([C@@H]8C)C[C@@]6(C)O)OC(=O)CC(C)C)O)O)CO)O[C@](O5)(O4)C9=CC=CC=C9)O)C is a diterpenoid of the class of daphnane-type terpenes. It is isolated from Trigonostemon reidioides and has been shown to exhibit insecticidal activity. It has a role as a metabolite and an insecticide. It is a diterpenoid, an ortho ester, an epoxide and a terpene lactone.
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4 C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4 is 3-methoxy-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-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 C[C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)O)N is a tripeptide composed of L-alanine, glycine, L-serine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-alanine, a glycine and a L-serine.
The molecule C1C=2C(N(C([C@](C1)(N[C@H](C(=O)OCC)CCC3=CC=CC=C3)[H])=O)CC(O)=O)=CC=CC2.Cl C1C=2C(N(C([C@](C1)(N[C@H](C(=O)OCC)CCC3=CC=CC=C3)[H])=O)CC(O)=O)=CC=CC2.Cl is A hydrochloride salt resulting from the reaction of benazepril with 1 mol eq. of hydrogen chloride. It is used as a prodrug for angiotensin-converting enzyme inhibitor benazeprilat in the treatment of hypertension and heart failure. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor . It is also related to or classified as hydrochloride .
The molecule C(CCCCCCCSC)=NO C(CCCCCCCSC)=NO is an aliphatic aldoxime resulting from the formal condensation of 8-(methylsulfanyl)octanal with hydroxylamine. It is also related to or classified as aliphatic aldoxime  .
The molecule CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(O)=O CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(O)=O is A D-phenylalanine derivative that is D-phenylalanine in which the amino group is replaced by a (tert-butoxycarbonyl)amino group. It is also related to or classified as tert-butyl ester  . It is also related to or classified as D-phenylalanine derivative .
The molecule [NH3+][C@H]1C(O)O[C@H](COP([O-])([O-])=O)[C@H](O)[C@@H]1O [NH3+][C@H]1C(O)O[C@H](COP([O-])([O-])=O)[C@H](O)[C@@H]1O is an organophosphate oxoanion that is the conjugate base of D-galactosamine 6-phosphate, obtained by deprotonation of the phosphate OH groups and protonation of the 2-amino group. Major structure at pH 7.3. It has the role of Escherichia coli metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C is a benzoate ester that is the methyl ester of 2-{[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoic acid. It has a role as a herbicide and an EC 2.2.1.6 (acetolactate synthase) inhibitor. It is a member of pyrimidines, a benzoate ester and a N-sulfonylurea.
The molecule S1C2=C(C=3C1=CC=CC3)C=CC=4C2=CC=CC4 S1C2=C(C=3C1=CC=CC3)C=CC=4C2=CC=CC4 is Benzo[b]naphtho[2,1-d]thiophene. It is also related to or classified as organic heterotricyclic compound , organosulfur heterocyclic compound .
The molecule COC(=O)C1=C2C(=CN1)C1=C(NC3=CC(O)=CC=C13)C1=C2C2=CC=CC=C2N1 COC(=O)C1=C2C(=CN1)C1=C(NC3=CC(O)=CC=C13)C1=C2C2=CC=CC=C2N1 is A organic heterohexacyclic compound that is 12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole in which the hydrogens at positions 5 and 10 are substituted by a methoxycarbonyl and hydroxy groups, respectively. It is synthesized by a gene cluster found in environmental DNA and exhibits cytotoxic activity against human HCT116 cancer cells and Staphylococcus aureus. It has the role of toxin . It has the role of antibacterial agent . It has the role of antineoplastic agent . It is also related to or classified as methyl ester  . It is also related to or classified as phenols  . It is also related to or classified as indolocarbazole alkaloid , secondary amino compound , organic heterohexacyclic compound .
The molecule C1=CC(=O)O[C@H]1CC(=O)O is the (S)-enantiomer of 5-oxo-2,5-dihydro-2-furylacetic acid. It is a conjugate acid of a (S)-5-oxo-2,5-dihydro-2-furylacetate. It is an enantiomer of a (R)-5-oxo-2,5-dihydro-2-furylacetic acid.
The molecule C(\CCCCCCCSC)=N/O C(\CCCCCCCSC)=N/O is A 8-(methylsulfanyl)octanal oxime in which the oxime moiety has E configuration.  It is also related to or classified as 8-(methylsulfanyl)octanal oxime  . It is also related to or classified as omega-(methylsulfanyl)-(E)-alkanal oxime .
The molecule COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3O)OC)O)O is a trihydroxyflavone that is flavone substituted by hydroxy groups at positioms 5, 2' and 5' and methoxy groups at positions 3, 7 and 4' respectively. It has a role as a plant metabolite. It is a trihydroxyflavone and a trimethoxyflavone. It derives from a flavone.
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1NC1=CC=CC=C1C(=O)NCCN CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1NC1=CC=CC=C1C(=O)NCCN is A branched heptasaccharide consisting of four alpha-D-mannosyl residues, one beta-D-mannosyl residue and two N-acetyl-beta-D-glucosamine residues, one of which at the reducing end is bonded to the the aryl amino group of 2-amino-N-(2-aminoethyl)benzamide. It is also related to or classified as heptasaccharide derivative .
The molecule CCC(=O)N1[C@@H]([C@@H]([C@@H]1CO)C2=CC=C(C=C2)C=CC)CNC(=O)C3=CC=NC=C3 CCC(=O)N1[C@@H]([C@@H]([C@@H]1CO)C2=CC=C(C=C2)C=CC)CNC(=O)C3=CC=NC=C3 is LSM-40347. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCCCCCC[C@H](CC(=O)O[C@H](CCCCCCC)CC(=O)O)O is a 3-hydroxydecanoyl-3-hydroxydecanoic acid in which both stereocentres have R configuration. It is a conjugate acid of a (R,R)-3-(3-hydroxydecanoyloxy)decanoate.
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)C(=O)CC3CC3)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)CC3CC3)C)OC)C is N-[(5R,6S,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-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 CC(=O)NCCc1c[nH]cn1 CC(=O)NCCc1c[nH]cn1 is A member of the class of acetamides that is acetamide comprising histamine having an acetyl group attached to the side-chain amino function. It has the role of human metabolite . Its functional parent is histamine . It is also related to or classified as acetamides , imidazoles .
The molecule [H]C(CCCCCCSC)=NO [H]C(CCCCCCSC)=NO is an aliphatic aldoxime resulting from the formal condensation of 7-(methylsulfanyl)heptanal with hydroxylamine. It is also related to or classified as aliphatic aldoxime  .
The molecule CC1=C(SC2=NC=NC(=C12)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O)C CC1=C(SC2=NC=NC(=C12)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O)C is 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(4-nitrophenyl)ethanol. It is also related to or classified as thienopyrimidine  . It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule C[C@@H](C(=O)CCC(C)C)[C@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)C)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)OC(=O)C1=CC(=C(C=C1)OC)OC)OC(=O)C)O is a steroid saponin isolated from Ornithogalum thyrsoides and has been shown to exhibit cytotoxic activity. It has a role as a metabolite and an antineoplastic agent. It is a beta-D-glucoside, a 17-hydroxy steroid, an acetate ester, a benzoate ester, a cholestanoid and a steroid saponin. It derives from a 3,4-dimethoxybenzoic acid.
The molecule C[C@H]([C@H](C(=O)N(CCC[C@@H](C(=O)O)NC(=O)[C@@H](CCCN(C=O)O)N)O)NC(=O)[C@@H](CCCN(C=O)O)N)O is a tetrapeptide hydroxamate siderophore that is isolated from Streptomyces coelicolor. It has a role as a siderophore and a bacterial metabolite. It is a tetrapeptide, a hydroxamic acid and a member of formamides. It is a conjugate acid of a coelichelin(3-).
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCC=2C=CC=CC2)O)O)NC(CCCCCCC)=O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCC=2C=CC=CC2)O)O)NC(CCCCCCC)=O is A synthetic sphingoid in which C16 phytosphingosine is substituted at O-1, C-16 and N with respectively an alpha-D-galactopyranosyl group, a phenyl group and an octanoyl group. Its functional parent is C16 phytosphingosine . It is also related to or classified as sphingoid  .
The molecule C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C is N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=NC2=C(N1COCCO)N=C(NC2=O)N is an oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections. It has a role as an antiviral drug and an antimetabolite. It is an oxopurine and a member of 2-aminopurines. It derives from a guanine.
The molecule C(\CCCCCCSC)=N/O C(\CCCCCCSC)=N/O is A 7-(methylsulfanyl)heptanal oxime in which the oxime moiety has E configuration.  It is also related to or classified as 7-(methylsulfanyl)heptanal oxime  . It is also related to or classified as omega-(methylsulfanyl)-(E)-alkanal oxime .
The molecule NC1=NC=NC2=C1N=NN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)C3 NC1=NC=NC2=C1N=NN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)C3 is A 2'-deoxyribonucleoside 5'-monophosphate that is the 8-aza analogue of 2'-deoxyadenosine 5'-monophosphate. It has the role of Mycoplasma genitalium metabolite . Its functional parent is 8-azaadenine .  It is also related to or classified as N-glycosyl compound  . It is also related to or classified as 2'-deoxyribonucleoside 5'-monophosphate , nucleoside monophosphate analogue , triazolopyrimidines .
The molecule C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C)(C(=O)COC(=O)C)O is a steroid ester that is pregn-4-en-21-yl acetate substituted by oxo group at positions 3 and 20, a methyl group at position 6 and hydroxy groups at positions 11 and 17 respectively. It is a 3-oxo-Delta(4) steroid, a steroid ester, an 11beta-hydroxy steroid, a 17alpha-hydroxy steroid, a 20-oxo steroid and a tertiary alpha-hydroxy ketone. It derives from a hydride of a pregnane.
The molecule CCCBr CCCBr is A bromoalkane that is propane carrying a bromo substituent at position 1. It has the role of solvent . It has the role of neurotoxin . It is also related to or classified as bromohydrocarbon , bromoalkane .
The molecule COC1=CC=CC2=C1C(=CN2)CN is an aminoalkylindole that is 3-(aminomethyl)indole in which the hydrogen at position 4 has been replaced by a methoxy group. It has a role as an Arabidopsis thaliana metabolite. It is an aminoalkylindole and an aromatic ether. It is a conjugate base of a 4-methoxy-3-indolylmethylamine(1+).
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCC(NCCCCCCCCC=2C=CC=CC2)=O)O)O)NC(CCCCCCC)=O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCC(NCCCCCCCCC=2C=CC=CC2)=O)O)O)NC(CCCCCCC)=O is A synthetic alpha-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(octanoylamino)-8-oxo-8-[(8-phenyloctyl)amino]octyl moiety at O-1. It is also related to or classified as alpha-galactosylsphingamide .
The molecule CC12CCC(=O)N1C3=C(C(=O)N2)SC4=NC(=C5CCCCC5=C34)N6CCOCC6 CC12CCC(=O)N1C3=C(C(=O)N2)SC4=NC(=C5CCCCC5=C34)N6CCOCC6 is LSM-19776. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule C(CCCCSC)=NO C(CCCCSC)=NO is an aliphatic aldoxime resulting from the formal condensation of 5-(methylsulfanyl)pentanal with hydroxylamine. It is also related to or classified as aliphatic aldoxime  . It is also related to or classified as methyl sulfide  .
The molecule [H]C(=C([H])C(=O)c1c(O)cc(O)cc1O)c1ccc(O)c(O)c1 [H]C(=C([H])C(=O)c1c(O)cc(O)cc1O)c1ccc(O)c(O)c1 is A member of the class of chalcones that is chalcone substituted by hydroxy groups at positions 2', 3, 4, 4', and 6'. Its functional parent is chalcone . It is a conjugate acid of 2',3,4,4',6'-pentahydroxychalcone(1-) . It is also related to or classified as chalcones  .
The molecule CCCCCCCCCCCC#CCCCCC(O)=O CCCCCCCCCCCC#CCCCCC(O)=O is an octadecynoic acid having its triple bond at position 6. It is also related to or classified as octadecynoic acid .
The molecule C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2OC[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)OC[C@@H]4[C@H]([C@@H]([C@@H](C(O4)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O)CO)O)O)O)O)O)O is a branched mannopentaose comprised of a linear tetrasaccharide unit of D-mannose residues linked sequentially alpha(1->2), alpha(1->6) and alpha(1->6), to the residue at the reducing end is also linked alpha(1->2) a fifth D-mannose residue.
The molecule COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13 COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13 is eplerenone. It has the role of antihypertensive agent . It has the role of aldosterone antagonist .  It is also related to or classified as methyl ester  . It is also related to or classified as gamma-lactone  .    It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as epoxy steroid , oxaspiro compound , organic heteropentacyclic compound , steroid acid ester .
The molecule C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O is a brassinosteroid that is castasterone carrying an alpha-D-glucosyl residue at position O-23. It has a role as a plant metabolite. It is a 2alpha-hydroxy steroid, a 22-hydroxy steroid, a 3alpha-hydroxy steroid, a 6-oxo steroid, a brassinosteroid, a steroid saponin and an alpha-D-glucoside. It derives from a castasterone.