anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])C(=O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])C(=O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO is A synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid. It has the role of anti-inflammatory drug . It has the role of antineoplastic agent . It has the role of immunosuppressive agent . It has the role of adrenergic agent . It has the role of prodrug . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as tertiary alpha-hydroxy ketone  .     It is also related to or classified as 11-oxo steroid  . It is also related to or classified as C21-steroid  . It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 17alpha-hydroxy steroid , 21-hydroxy steroid , 20-oxo steroid .
The molecule CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)O[C@]3(O)c3ccoc3)[C@]12C CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)O[C@]3(O)c3ccoc3)[C@]12C is A limonoid found in Azadirachta indica. It has the role of plant metabolite . It is also related to or classified as delta-lactone  .  It is also related to or classified as tertiary alcohol  .    It is also related to or classified as acetate ester  . It is also related to or classified as enone  . It is also related to or classified as furans , tetracyclic triterpenoid , cyclic terpene ketone , limonoid .
The molecule O=C(\C=C\C=C\CC\C=C\c1ccc2OCOc2c1)N1CCCC1 O=C(\C=C\C=C\CC\C=C\c1ccc2OCOc2c1)N1CCCC1 is 1-[(2E,4E,8E)-9-(3,4-methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine. It has the role of metabolite . It is also related to or classified as benzodioxoles .
The molecule C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O is a glycosylarabinose that is alpha-L-arabinopyranose in which the hydroxy group at position 3 has been converted into the corresponding beta-D-glucopyranoside. It is a glycosylarabinose and a beta-D-glucoside.
The molecule C(CCCCCCC(C)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] C(CCCCCCC(C)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] is A sphingomyelin 41:1 obtained by formal condensation of the carboxy group of tetracosanoic acid with the amino group of 15-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is tetracosanoic acid . Its functional parent is 15-methylhexadecasphing-4-enine . It is also related to or classified as N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine  . It is also related to or classified as sphingomyelin 41:1  .
The molecule CC1(C)[C@@H]2C[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)c3ccoc3)[C@@]2(C)C=CC1=O CC1(C)[C@@H]2C[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)c3ccoc3)[C@@]2(C)C=CC1=O is A limonoid that is gedunin in which the acetoxy group at position 7 is replaced by a benzoyloxy group. Isolated from Azadirachta indica, it exhibits cytotoxic activity against HL60 leukemia cells. It has the role of antineoplastic agent . It has the role of plant metabolite . Its functional parent is gedunin . It is also related to or classified as delta-lactone  .   It is also related to or classified as epoxide  .    It is also related to or classified as enone  . It is also related to or classified as furans , pentacyclic triterpenoid , benzoate ester , cyclic terpene ketone , limonoid .
The molecule O=C(CCCCCC\C=C\c1ccc2OCOc2c1)N1CCCC1 O=C(CCCCCC\C=C\c1ccc2OCOc2c1)N1CCCC1 is 1-[(8E)-9-(3,4-methylenedioxyphenyl)-8-nonenoyl]pyrrolidine. It has the role of metabolite . It is also related to or classified as benzodioxoles .
The molecule CC1(C([N+](=C(N1[O])C2=CC=C(C=C2)C(=O)O)[O-])(C)C)C is a mmeber of the class of imidazolines and organic radical that is 4,4,5,5-tetramethyl-3-oxo-4,5-dihydro-1H-3lambda(5)-imidazol-1-yl]oxidanyl substituted at position 2 by a 4-carboxyphenyl group. It has a role as a radical scavenger and an apoptosis inhibitor. It is an organic radical, a benzoic acid and a member of imidazolines. It is a conjugate base of a carboxylato-PTIO.
The molecule CC1(C)[C@@H]2C[C@@H](O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)c3ccoc3)[C@@]2(C)C=CC1=O CC1(C)[C@@H]2C[C@@H](O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)c3ccoc3)[C@@]2(C)C=CC1=O is A limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica. It has the role of metabolite . It has the role of antimalarial . It has the role of anti-inflammatory agent . It has the role of plant metabolite . Its functional parent is gedunin . It is also related to or classified as delta-lactone  .   It is also related to or classified as epoxide  .   It is also related to or classified as enone  . It is also related to or classified as furans , pentacyclic triterpenoid , cyclic terpene ketone , limonoid .
The molecule O=C(\C=C\CCCC\C=C\c1ccc2OCOc2c1)N1CCCC1 O=C(\C=C\CCCC\C=C\c1ccc2OCOc2c1)N1CCCC1 is 1-[(2E,8E)-9-(3,4-methylenedioxyphenyl)-2,8-nonadienoyl]pyrrolidine. It has the role of metabolite . It is also related to or classified as benzodioxoles .
The molecule CC1=CC(=O)CC([C@]1(/C=C/C(=O)C)O)(C)C is a dehydrovomifoliol that has S-configuration at the chiral centre. It has a role as a plant metabolite. It is an enantiomer of a (6R)-dehydrovomifoliol.
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[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](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[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](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A branched amino nonasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc in which the mannosyl group is substituted at positions 3 and 6 by beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man groups. It is also related to or classified as glucosamine oligosaccharide , amino sugar , amino nonasaccharide .
The molecule CCN1C=CC(=N1)C(=O)NC2=C(CCC2)C#N CCN1C=CC(=N1)C(=O)NC2=C(CCC2)C#N is N-(2-cyano-1-cyclopentenyl)-1-ethyl-3-pyrazolecarboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule C\C=C(/C)C(=O)O[C@@H]1[C@@H]2OC[C@@]3(C)[C@H]2[C@](C)([C@@H](O)C[C@H]3OC(C)=O)[C@H]2CC[C@@]3(C)[C@H](C4COC(=O)C4)C(=O)C=C3[C@]12C C\C=C(/C)C(=O)O[C@@H]1[C@@H]2OC[C@@]3(C)[C@H]2[C@](C)([C@@H](O)C[C@H]3OC(C)=O)[C@H]2CC[C@@]3(C)[C@H](C4COC(=O)C4)C(=O)C=C3[C@]12C is A limonoid found in Azadirachta indica. It has the role of metabolite . It has the role of plant metabolite . Its functional parent is tiglic acid .   It is also related to or classified as secondary alcohol  .  It is also related to or classified as acetate ester  . It is also related to or classified as butan-4-olide , pentacyclic triterpenoid , limonoid .
The molecule O=C(\C=C\C=C\CCc1ccc2OCOc2c1)N1CCCC1 O=C(\C=C\C=C\CCc1ccc2OCOc2c1)N1CCCC1 is 1-[(2E,4E)-7-(3,4-methylenedioxyphenyl)-2,4-heptadienoyl]pyrrolidine. It has the role of metabolite . It is also related to or classified as benzodioxoles .
The molecule C(C[NH3+])C(C[C@@H](C(=O)[O-])[NH3+])Cl is an alpha-amino-acid cation that is the conjugate acid of 4-chloro-L-lysine zwitterion; major species at pH 7.3. It is a conjugate acid of a 4-chloro-L-lysine zwitterion.
The molecule CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NS(=O)(=O)C3=CC=CC=C3 CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NS(=O)(=O)C3=CC=CC=C3 is 2-(benzenesulfonamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester. It is also related to or classified as sulfonamide  . It is also related to or classified as isopropyl ester  .
The molecule CC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@H]3[C@@H](OC[C@]13C)[C@@H](O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](CC=C12)c1ccoc1 CC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@H]3[C@@H](OC[C@]13C)[C@@H](O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](CC=C12)c1ccoc1 is A limonoid found in Azadirachta indica. It has the role of metabolite . 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 acetate ester  . It is also related to or classified as furans , pentacyclic triterpenoid , limonoid .
The molecule O=C(\C=C\CCCCc1ccc2OCOc2c1)N1CCCC1 O=C(\C=C\CCCCc1ccc2OCOc2c1)N1CCCC1 is 1-[(2E)-7-(3,4-methylenedioxyphenyl)-2-heptenoyl]pyrrolidine. It has the role of metabolite . It is also related to or classified as benzodioxoles .
The molecule COC1=C(C2=C(C=C[C@H](O2)C3CC3)C(=C1)CC4=CN=C(N=C4N)N)OC is a 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine in which the chiral centre has R configuration. It has a role as an EC 1.5.1.3 (dihydrofolate reductase) inhibitor and an antibacterial drug. It is an enantiomer of a (S)-iclaprim.
The molecule CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)CC(=O)C=C3[C@]12C CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)CC(=O)C=C3[C@]12C is A limonoid that is azadiradione in which the furanyl group at position 17 is replaced by a hydrogen. It has been isolated from Azadirachta indica. It has the role of metabolite . It has the role of plant metabolite . Its functional parent is azadiradione .    It is also related to or classified as acetate ester  . It is also related to or classified as tetracyclic triterpenoid , cyclic terpene ketone , limonoid .
The molecule CCCCCCC\C=C\C=C\C(=O)N1CCCC1 CCCCCCC\C=C\C=C\C(=O)N1CCCC1 is 1-[(2E,4E)-2,4-dodecadienoyl]pyrrolidine. It has the role of metabolite . It is also related to or classified as N-acylpyrrolidine .
The molecule C1=C(C=C(C(=C1Br)O)Br)C(=O)O is a monohydroxybenzoic acid that is p-salicylic acid with bromo- substituents at C-3 and C-5 of the benzene ring. It has a role as a marine xenobiotic metabolite. It is a monohydroxybenzoic acid and a dibromobenzene. It derives from a benzoic acid and a 2,6-dibromophenol. It is a conjugate acid of a 3,5-dibromo-4-hydroxybenzoate and a 3,5-dibromo-4-oxidobenzoate(2-).
The molecule CCCCCCC\C=C/[C@H](O)C#CC#C[C@@H](O)C=C CCCCCCC\C=C/[C@H](O)C#CC#C[C@@H](O)C=C is falcarindiol. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule O=C(N1[C@H](CN(C(=O)C)[C@H](C1)CC2=CC=CC=C2)CC3=CC(OC)=C4OCOC4=C3)/C=C/C5=CC=CC=C5 O=C(N1[C@H](CN(C(=O)C)[C@H](C1)CC2=CC=CC=C2)CC3=CC(OC)=C4OCOC4=C3)/C=C/C5=CC=CC=C5 is Hancockiamide C. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule COC1=C(C=C(C=C1)C(C(=O)NC2CCCC2)N(CC3=CC=C(C=C3)F)C(=O)C4=CC=NN4)OC COC1=C(C=C(C=C1)C(C(=O)NC2CCCC2)N(CC3=CC=C(C=C3)F)C(=O)C4=CC=NN4)OC is N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC=C3[C@]12C)C1COC(=O)C1 CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC=C3[C@]12C)C1COC(=O)C1 is A limonoid that is 20,21,22,23-tetrahydroazadirone substituted by an additional oxo group at position 23. It has been isolated from Azadirachta indica. It has the role of metabolite . It has the role of plant metabolite . Its functional parent is azadirone .     It is also related to or classified as acetate ester  . It is also related to or classified as butan-4-olide , tetracyclic triterpenoid , cyclic terpene ketone , limonoid .
The molecule CCCCC\C=C\C=C\C(=O)N1CCCC1 CCCCC\C=C\C=C\C(=O)N1CCCC1 is 1-[(2E,4E)-2,4-decadienoyl]pyrrolidine. It has the role of metabolite . It is also related to or classified as N-acylpyrrolidine .
The molecule C1[C@@]2(C=3CC[C@@]4([C@](C3CC[C@]2(C([C@H]([C@@H]1O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C)[H])(C)CC[C@]6([C@]4(CC[C@@H]6C(C)C)[H])C)C)C C1[C@@]2(C=3CC[C@@]4([C@](C3CC[C@]2(C([C@H]([C@@H]1O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C)[H])(C)CC[C@]6([C@]4(CC[C@@H]6C(C)C)[H])C)C)C is 3-O-(beta-D-glucopyranosyl)-2alpha-hydroxyisomotiol. It is also related to or classified as glycoside  . It is also related to or classified as triterpenoid  .
The molecule C1C(=NC2=C(N1)N=C(NC2=O)N)[C@@H]([C@@H](CO)OP(=O)([O-])[O-])O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 7,8-dihydroneopterin 2'-phosphate. It is a conjugate base of a 7,8-dihydroneopterin 2'-phosphate.
The molecule CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)C=C3[C@]12C)C1=CCOC1=O CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)C=C3[C@]12C)C1=CCOC1=O is A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by a oxo groups at positions 3 and 16, an acetoxy group at position 7 and a 2-oxo-2,5-dihydrofuran-3-yl group at position 17. It has been isolated from Azadirachta indica. It has the role of metabolite . It has the role of plant metabolite .    It is also related to or classified as acetate ester  . It is also related to or classified as butenolide  . It is also related to or classified as tetracyclic triterpenoid , cyclic terpene ketone , limonoid .
The molecule O=C(CCCCCCC\C=C\c1ccc2OCOc2c1)N1CCCC1 O=C(CCCCCCC\C=C\c1ccc2OCOc2c1)N1CCCC1 is 1-[(9E)-10-(3,4-methylenedioxyphenyl)-9-decenoyl]pyrrolidine. It has the role of metabolite . It is also related to or classified as benzodioxoles .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,7Z,10Z,13Z,16Z)-docosapentaenoic acid. It is a long-chain fatty acyl-CoA and an unsaturated fatty acyl-CoA. It is a conjugate acid of a (2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA(4-).
The molecule O1[C@@H]([C@H](O)[C@@H](O)[C@H]1O)CO O1[C@@H]([C@H](O)[C@@H](O)[C@H]1O)CO is A D-xylofuranose that has alpha configuration at the anomeric centre. It is also related to or classified as D-xylofuranose  . It is also related to or classified as pentose  .
The molecule COC1=C(O)C=C(CCN)C=C1 COC1=C(O)C=C(CCN)C=C1 is A monomethoxybenzene that is dopamine in which the hydroxy group at position 4 is replaced by a methoxy group. It has the role of human metabolite . It has the role of rat metabolite . Its functional parent is dopamine .  It is also related to or classified as phenols  . It is also related to or classified as phenylethylamine  . It is also related to or classified as monomethoxybenzene , primary amino compound .
The molecule CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)C(O)=C3c3ccoc3)[C@]12C CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)C(O)=C3c3ccoc3)[C@]12C is A limonoid that is 4,4,8-trimethylandrosta-1,16-diene substituted by a furan-3-yl group at position 17, oxo groups at positions 3 and 15, a hydroxy group at position 16 and an acetoxy group at position 7. It has been isolated from Azadirachta indica. It has the role of metabolite . It has the role of plant metabolite .   It is also related to or classified as enol  .   It is also related to or classified as acetate ester  . It is also related to or classified as furans , tetracyclic triterpenoid , cyclic terpene ketone , limonoid .
The molecule O=C(CC\C=C\CCCC\C=C\c1ccc2OCOc2c1)N1CCCC1 O=C(CC\C=C\CCCC\C=C\c1ccc2OCOc2c1)N1CCCC1 is 1-[(4E,10E)-11-(3,4-methylenedioxyphenyl)-4,10-undecadienoyl]pyrrolidine. It has the role of metabolite . It is also related to or classified as benzodioxoles .
The molecule CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl is a monocarboxylic acid that is 2-methylpropanoic acid substituted by a 4-(4-chlorobenzoyl)phenoxy group at position 2. It is a metabolite of the drug fenofibrate. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a chlorobenzophenone, a monocarboxylic acid and an aromatic ketone.
The molecule [H]C(CCC(O)=O)=CC(O)=O [H]C(CCC(O)=O)=CC(O)=O is A hexenedioic acid where the C=C double bond is located at the 2-position. It is a conjugate acid of hex-2-enedioate . It is also related to or classified as hexenedioic acid .
The molecule CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)[C@]3(O)c3ccoc3)[C@]12C CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)[C@]3(O)c3ccoc3)[C@]12C is A limonoid that is 17-epiazadiradione substituted by a hydroxy group at position 17. Isolated from Azadirachta indica, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of plant metabolite . Its functional parent is 17-epiazadiradione . It is also related to or classified as tertiary alpha-hydroxy ketone  .     It is also related to or classified as acetate ester  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as furans , tetracyclic triterpenoid , cyclic terpene ketone , limonoid .
The molecule COc1nc(C)nc(Cl)c1NC1=NCCN1 COc1nc(C)nc(Cl)c1NC1=NCCN1 is Moxonidine. It is also related to or classified as organohalogen compound  . It is also related to or classified as pyrimidines .
The molecule CC1(C2=CC=CC=C2N(C1=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C.Cl is a hydrochloride resulting from the formal reation of equimolar amount of LY-310762 with hydrogen chloride. A potent and selective antagonist for the 5-hydroxytryptamine 1D (5-HT1D) receptor. It has a role as a receptor modulator and a serotonergic antagonist. It contains a LY-310762(1+).
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[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](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[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](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A branched amino octasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc in which the mannosyl group is substituted at position 3 by a beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man group and at position 6 by a beta-D-GlcNAc-(1->2)-alpha-D-Man group. It is also related to or classified as glucosamine oligosaccharide , amino octasaccharide , amino sugar .
The molecule CC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)C)C CC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)C)C is 3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-methylphenyl) ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](C(=O)C=C3[C@]12C)c1ccoc1 CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](C(=O)C=C3[C@]12C)c1ccoc1 is A  limonoid that is the C-17 epimer of azadiradione. It has been isolated from Azadirachta indica. It has the role of plant metabolite .     It is also related to or classified as acetate ester  . It is also related to or classified as furans , tetracyclic triterpenoid , cyclic terpene ketone , limonoid .
The molecule O=C(\C=C\C=C\CCCC\C=C\c1ccc2OCOc2c1)N1CCCC1 O=C(\C=C\C=C\CCCC\C=C\c1ccc2OCOc2c1)N1CCCC1 is 1-[(2E,4E,10E)-10-(3,4-methylenedioxyphenyl)-2,4,10-undecatrienoyl]pyrrolidine. It has the role of metabolite . It is also related to or classified as benzodioxoles .
The molecule CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O is a cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7. It has a role as a fungal metabolite. It derives from a cephalosporanic acid. It is a conjugate acid of a cephalosporin C(1-).
The molecule [C@]123[C@](C(=O)[C@]([C@@]1(CC[C@@]4([C@]5(C=CC(C([C@@]5(C[C@H]([C@@]24C)OC(=O)C6=CC=CC=C6)[H])(C)C)=O)C)[H])C)(C7=COC=C7)[H])([H])O3 [C@]123[C@](C(=O)[C@]([C@@]1(CC[C@@]4([C@]5(C=CC(C([C@@]5(C[C@H]([C@@]24C)OC(=O)C6=CC=CC=C6)[H])(C)C)=O)C)[H])C)(C7=COC=C7)[H])([H])O3 is A  limonoid that is  epoxyazadiradione in which the acetyl group has been replaced by a benzoyl group. It has been isolated from Azadirachta indica. It has the role of metabolite . It has the role of plant metabolite . Its functional parent is epoxyazadiradione .  It is also related to or classified as 3-oxo-Delta(1) steroid  . It is also related to or classified as epoxy steroid , furans , pentacyclic triterpenoid , benzoate ester , cyclic terpene ketone , limonoid .
The molecule O=C(\C=C\C=C/CC\C=C\c1ccc2OCOc2c1)N1CCCC1 O=C(\C=C\C=C/CC\C=C\c1ccc2OCOc2c1)N1CCCC1 is 1-[(2E,4Z,8E)-9-(3,4-methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine. It has the role of metabolite . It is also related to or classified as benzodioxoles .
The molecule C=C[C@@]1(CC(=CC1=O)NC=O)O is an alicyclic ketone which is 3-oxocyclopent-1-ene substituted by a formamido group at position 1 as well as vinyl and hydroxy groups at position 4. It is isolated from a marine derived fungus Myrothecium sp. and acts as an inhibitor of tyrosinase enzyme (EC 1.14.18.1). It has a role as a metabolite and an EC 1.14.18.1 (tyrosinase) inhibitor. It is a member of formamides, a tertiary alcohol, an alicyclic ketone and a tertiary alpha-hydroxy ketone.
The molecule CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)CCOC CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)CCOC is N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-methoxyethyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)[C@H]4O[C@@]34[C@]12C)c1ccoc1 CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)[C@H]4O[C@@]34[C@]12C)c1ccoc1 is A limonoid that is  azadiradione with an epoxy group across positions 14 and 15. Isolated from Azadirachta indica it exhibits insecticidal activitry against mosquitoes. It has the role of insecticide . It has the role of anti-inflammatory agent . It has the role of plant metabolite . Its functional parent is azadiradione .   It is also related to or classified as epoxide  .   It is also related to or classified as acetate ester  . It is also related to or classified as furans , pentacyclic triterpenoid , cyclic terpene ketone , limonoid .
The molecule CCCCC\C=C\C=C\C=C\C(=O)N1CCCC1 CCCCC\C=C\C=C\C=C\C(=O)N1CCCC1 is 1-[(2E,4E,6E)-2,4,6-dodecatrienoyl]pyrrolidine. It has the role of metabolite . It is also related to or classified as N-acylpyrrolidine .