mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC=2C=CC(=CC2)C(F)(F)F)O)O)C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O</smiles> is A glycophytoceramide having a 4-O-[4-(trifluoromethyl)benzyl]-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. Its functional parent is alpha-D-galactose. It is also related to or classified as glycophytoceramide.
The molecule <smiles>CCCCCCCCC#CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an alkynic fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 9-octadecynoic acid. Its functional parent is stearolic acid. It is also related to or classified as alkynic fatty acyl-CoA.
The molecule <smiles>O[C@H]1C(C2[C@@](C3[C@](C4[C@@](C5[C@@](CC4)(CC[C@H]5C(C)=C)C(O)=O)(CC3)[H])(CC2)C)(CC1)C)(C)C</smiles> is (1R,3aS,5bS,9R,11aR,13aS)-9-hydroxy-5b,8,8,11a-tetramethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid. It is also related to or classified as pentacyclic triterpenoid, hydroxy monocarboxylic acid.
The molecule <smiles>C[Se]CC([NH3+])C(O)=O</smiles> is an alpha-amino acid cation having methylselanylmethyl as the side-chain. It is a conjugate acid of Se-methylselenocysteine. It is also related to or classified as alpha-amino-acid cation.
The molecule <smiles>O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=CC=CC8C7C[C@@H]6CC5)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1[C@@H](O)C(O)(C)C)O4)(C)C</smiles> is Drechmerin D. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>[C@](COC(=O)CCCCCCC/C=C\CCCCCCCC)(OC(=O)CCCCCCC/C=C\CCCCCCCC)([H])COP(OP([O-])(=O)[O-])(=O)[O-]</smiles> is 1,2-dioleoyl-sn-glycero-3-diphosphate(3-). Its functional parent is oleate. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-diphosphate(3-) .
The molecule <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)CCCCCCC/C=C\CCCCCC)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O</smiles> is A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of palmitoleic acid. Its functional parent is palmitoleic acid. It is a conjugate acid of palmitoleoyl-CoA(4-).  It is also related to or classified as 11,12-saturated fatty acyl-CoA . It is also related to or classified as hexadecenoyl-CoA.
The molecule <smiles>O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC=2C=CC(=CC2)C)O)O)C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O</smiles> is A glycophytoceramide having a 4-O-(4-methylbenzyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. Its functional parent is alpha-D-galactose. It is also related to or classified as glycophytoceramide.
The molecule <smiles>O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC=2C=CC(=C(C2)Cl)Cl)O)O)C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O</smiles> is A glycophytoceramide having a 4-O-(3,4-dichlorobenzyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. Its functional parent is alpha-D-galactose. It is also related to or classified as glycophytoceramide.
The molecule <smiles>[H]C(=O)\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C</smiles> is an apo carotenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 10'-position. It is also related to or classified as enal . It is also related to or classified as apo carotenoid.
The molecule <smiles>C=1C=CC(=C2NC=C(C12)Cl)NS(C3=CC=C(C=C3)S(N)(=O)=O)(=O)=O</smiles> is A chloroindole that is 3-chloro-1H-indole substituted by a [(4-sulfamoylphenyl)sulfonyl]nitrilo group at position 7. It is a carbonic anhydrase inhibitor and a potential anti-cancer agent currently in clinical development. It has the role of EC 4.2.1.1 (carbonic anhydrase) inhibitor. It has the role of antineoplastic agent. It is also related to or classified as sulfonamide . It is also related to or classified as organochlorine compound . It is also related to or classified as chloroindole.
The molecule <smiles>C=1(C=NC=C(C1)F)N([C@H](C(NC2CC(C2)(F)F)=O)C3=C(C=CC=C3)Cl)C([C@@]4(CCC(N4C5=NC=CC(=C5)C#N)=O)[H])=O</smiles> is A tertiary carboxamide resulting from the formal condensation of the carboxy group of (2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidine-2-carboxylic acid with the secondary amino group of (2S)-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-[(5-fluoropyridin-3-yl)amino]acetamide. It is approved by the FDA for the treatment of acute myeloid leukemia (AML) in patients with an isocitrate dehydrogenase-1 (IDH1) mutation. It has the role of EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor. It has the role of antineoplastic agent. It is also related to or classified as secondary carboxamide . It is also related to or classified as tertiary carboxamide .  It is also related to or classified as organofluorine compound . It is also related to or classified as pyrrolidin-2-ones . It is also related to or classified as cyanopyridine, monochlorobenzenes.
The molecule <smiles>C[Se]CC(N)C([O-])=O</smiles> is an alpha-amino acid anion having methylselanylmethyl as the side-chain. It is also related to or classified as alpha-amino-acid anion.
The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@@H]1N2C(N=C(C=C2)N)=O)C#N)O)CO</smiles> is A pyrimidine 2'-deoxyribonucleoside that is 2'-deoxycytidine having a cyano group in the 2'-position. It is the active metabolite of the anti-cancer drug, sapacitabine which is currently in clinical development for the treatment of hematologic malignancies and solid tumors. It has the role of antineoplastic agent. It has the role of drug metabolite. It has the role of DNA synthesis inhibitor. It is also related to or classified as nitrile . It is also related to or classified as pyrimidine 2'-deoxyribonucleoside.
The molecule <smiles>COc1cc(O)c2c(c1)oc1ccc(O)c(OC)c1c2=O</smiles> is A member of the class of  xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 2 and 8 and methoxy groups at positions 1 and 6. It has the role of plant metabolite. It is also related to or classified as polyphenol, aromatic ether, xanthones.
The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@@H]1N2C(N=C(C=C2)NC(CCCCCCCCCCCCCCC)=O)=O)C#N)O)CO</smiles> is A nucleoside analogue resulting from the formal condensation of the carboxy group of hexadecanoic acid with the amino group of CNDAC. It is the prodrug of CNDAC and is currently in clinical development for the treatment of acute myeloid leukemia (AML). It has the role of antimetabolite. It has the role of antineoplastic agent. It has the role of prodrug. It has the role of DNA synthesis inhibitor. Its functional parent is CNDAC. Its functional parent is hexadecanoic acid. It is also related to or classified as secondary carboxamide . It is also related to or classified as nitrile . It is also related to or classified as nucleoside analogue.
The molecule <smiles>N([C@H]1C[C@@H](N(CC1)C)C=2NC=3C(N2)=CC=CC3)C(=O)NC=4C=CC(=CC4)C#N</smiles> is A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a (2R,4S)-4-{[(4-cyanophenyl)carbamoyl]amino}-1-methylpiperidin-2-yl group at position 2. It is a hedgehog signalling pathway inhibitor that acts by binding to Smoothened (SMO) receptors and blocking signal transduction (IC50 = 5 nM). It is used in combination with low-dose cytarabine, for the treatment of newly-diagnosed acute myeloid leukemia (AML) in adult patients (aged >= 75 years), or who have medical conditions that prevent the use of standard chemotherapy. It has the role of Hedgehog signaling pathway inhibitor. It has the role of antineoplastic agent. It has the role of SMO receptor antagonist.  It is also related to or classified as nitrile . It is also related to or classified as phenylureas, benzimidazoles, piperidines.
The molecule <smiles>[H]C(=O)C(\C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C</smiles> is an apo carotenoid triterpenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 8'-position.  It is also related to or classified as enal . It is also related to or classified as apo carotenoid triterpenoid.
The molecule <smiles>[H]C(=O)C(\C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C</smiles> is an apo carotenoid C35 terpenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 4'-position. It is also related to or classified as enal . It is also related to or classified as apo carotenoid C35 terpenoid.
The molecule <smiles>[C@H]1(O)C(O)O[C@H](COS(=O)(=O)O)[C@H]([C@@H]1O)O</smiles> is A monosaccharide sulfate that is D-glucopyranose carrying a single sulfo substituent at position 6. Its functional parent is D-glucopyranose. It is a conjugate acid of D-glucopyranose 6-sulfate(1-). It is also related to or classified as monosaccharide sulfate.
The molecule <smiles>O1[C@@]2(OC(C)(C)[C@H]([C@H]2O)C)[C@H]([C@@H]3[C@@]4([C@@]1(C5=C(C(=C(O)C=C5)C)CC4)CC3)C)C</smiles> is Blazeispirol F. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>[C@H]1(O)C(O)O[C@H](COS(=O)(=O)[O-])[C@H]([C@@H]1O)O</smiles> is an organosulfate oxoanion resulting from deprotonation of the sulfate OH group of D-glucopyranose 6-sulfate; major species at pH 7.3. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>O=C1C2=C(O)C3=C(OC)C=C(OC)C=C3C=C2OC(=C1)CC4=CC=CC=C4</smiles> is 5-hydroxy-6,8-dimethoxy-2-benzyl-4H-naphtho[2,3-b]-pyran-4-one. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC=2C=CC=CC2)O)O)C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O</smiles> is A glycophytoceramide having a 4-O-benzyl-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. Its functional parent is alpha-D-galactose. It is also related to or classified as glycophytoceramide.
The molecule <smiles>[C@H]1(COS(=O)(=O)[O-])OC(=O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is anion of 6-O-sulfono-D-glucono-1,5-lactone arising from deprotonation of the sulfate OH group; major species at pH 7.3. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>[C@@H]1(O)[C@@H](N)C(O[C@H](COP(=O)([O-])[O-])[C@H]1O)=O</smiles> is dianion of 2-amino-2-deoxy-6-O-phosphono-D-glucono-1,5-lactone arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>[H]C(=O)\C=C(C)\C=C\C=C(/C)C([H])=O</smiles> is an apo carotenoid monoterpenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 8'- and 15-positions.   It is also related to or classified as enal . It is also related to or classified as dialdehyde, apo carotenoid monoterpenoid.
The molecule <smiles>C1(=CC(=C(C(=C1)OC)/C=C/S(CC2=CC=C(C(=C2)NCC([O-])=O)OC)(=O)=O)OC)OC.[Na+]</smiles> is the sodium salt of rigosertib. It is an anti-cancer agent which has been granted Orphan Drug Designation by the FDA for use in patients with myelodysplastic syndromes (MDS). It has the role of EC 2.7.11.21 (polo kinase) inhibitor. It has the role of antineoplastic agent. It has the role of microtubule-destabilising agent. It has the role of apoptosis inducer. It is also related to or classified as organic sodium salt.
The molecule <smiles>[C@@H]1([C@@H]([C@H](OC(C1)=O)COP([O-])(=O)[O-])O)O</smiles> is dianion of 2-deoxy-6-O-phosphono-D-glucono-1,5-lactone arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>C[Se]C[C@@H]([NH3+])C(O)=O</smiles> is A D-alpha-amino acid cation having methylselanylmethyl as the side-chain. It is a conjugate acid of Se-methyl-D-selenocysteine. It is also related to or classified as Se-methylselenocysteinium .
The molecule <smiles>O=C(OC(/C=C\1/C=C(C)C=2C13OC3CCN2)C(OC(=O)C)C)C(CC)C</smiles> is Kobutimycin B.  It is also related to or classified as gitoxigenin . It is also related to or classified as organonitrogen heterocyclic compound.
The molecule <smiles>[C@H]1(O)C(=O)O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O</smiles> is dianion of 6-O-phosphono-D-galactono-1,5-lactone arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>NC1=CC=C(C=C1)S(=O)(=O)NC=2SC(=CN2)CC(=O)O</smiles> is A sulfonamide consisting of 1,3-thiazol-5-ylacetic acid with a 4-aminobenzenesulfonamido group at the thiazole 2-position. It has the role of hapten.  It is also related to or classified as sulfonamide . It is also related to or classified as monocarboxylic acid.
The molecule <smiles>C1(=CC(=C(C(=C1)OC)/C=C/S(CC2=CC=C(C(=C2)NCC([O-])=O)OC)(=O)=O)OC)OC</smiles> is A monocarboxylic acid anion that is the conjugate base of rigosertib, resulting from the deprotonation of the carboxy group. The major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>C1(=CC(=C(C(=C1)OC)/C=C/S(CC2=CC=C(C(=C2)NCC(O)=O)OC)(=O)=O)OC)OC</smiles> is an N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine in which the double bond has E-configuration. It is a non-ATP-competitive inhibitor of PLK1 with an IC50 of 9 nM and exhibits anti-cancer properties. It has the role of EC 2.7.11.21 (polo kinase) inhibitor. It has the role of antineoplastic agent. It has the role of microtubule-destabilising agent. It has the role of apoptosis inducer. It is a conjugate acid of rigosertib(1-). It is also related to or classified as N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine .
The molecule <smiles>O=C(C1=CO[C@@H](C)[C@@H]([C@@H]1CO)C)[C@H](CC)C</smiles> is Colomitide D. It is also related to or classified as enol ether . It is also related to or classified as enone .
The molecule <smiles>O1[C@]([C@@H]([C@@H](COC(=O)C)O)O)([H])[C@H](NC(=O)C)[C@@H](O)C[C@@]1(C(O)=O)O</smiles> is A member of the class of N-acetylneuraminic acids that is alpha-neuraminic acid which has acetylated on N-5 and O-9. Its functional parent is alpha-neuraminic acid. It is also related to or classified as N-acetylneuraminic acids.
The molecule <smiles>C(O)([C@@]1(OC)C[C@H](O)[C@@H](NC(=O)C)[C@@H](O1)[C@H](O)[C@H](O)COC(=O)C)=O</smiles> is A member of the class of N-acetylneuraminic acids that is N-acetyl-9-O-acetyl-alpha-neuraminic acid in which the hydroxy group at position 2 (adjacent to the carboxy group) has been methylated to give the corresponding methoxy group. Its functional parent is N-acetyl-9-O-acetyl-alpha-neuraminic acid.  It is also related to or classified as acetate ester . It is also related to or classified as N-acetylneuraminic acids, cyclic acetal.
The molecule <smiles>C\C(CO)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C</smiles> is an apo carotenoid C35 terpenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 4'-position. It is also related to or classified as apo carotenoid C35 terpenoid.
The molecule <smiles>[H]C(=O)C(\C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C</smiles> is an apo carotenoid triterpenoid compound consisting of 8'-apo-beta-carotene having an aldehyde group in the 8'-position and an (R)-hydroxy substituent at the 3-position. It has the role of plant metabolite.  It is also related to or classified as enal . It is also related to or classified as apo carotenoid triterpenoid.
The molecule <smiles>NC1=CC=C(C=C1)S(=O)(=O)NC=2C=CC(=CC2)CCCC(=O)O</smiles> is A sulfonamide consisting of 4-phenylbutanoic acid with a 4-aminobenzenesulfonamido group at the phenyl 4-position. It has the role of hapten.  It is also related to or classified as sulfonamide . It is also related to or classified as monocarboxylic acid.
The molecule <smiles>[H]C(=O)C(\C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C</smiles> is an apo carotenoid C25 terpenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 12'-position. It is also related to or classified as enal . It is also related to or classified as apo carotenoid C25 terpenoid.
The molecule <smiles>C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)O[C@H](C(OC)=O)C</smiles> is A methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate that is the (S)-enantiomer of diclofop-methyl. It is also related to or classified as methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate .
The molecule <smiles>C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)O[C@@H](C(OC)=O)C</smiles> is A methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate that is the (R)-enantiomer of diclofop-methyl. It is also related to or classified as methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate .
The molecule <smiles>C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)OC(C(OC)=O)C</smiles> is A methyl ester resulting from the formal condensation of the carboxylic acid group of 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid with methanol. It is also related to or classified as dichlorobenzene . It is also related to or classified as methyl ester . It is also related to or classified as aromatic ether, diether.
The molecule <smiles>NC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(O)=O</smiles> is A sulfonamide consisting of hexanoic acid with a 4-aminobenzenesulfonamido group at its 6-position. It has the role of hapten.  It is also related to or classified as sulfonamide . It is also related to or classified as monocarboxylic acid.
The molecule <smiles>C[Se]C[C@@H](N)C([O-])=O</smiles> is A D-alpha-amino acid anion having methylselanylmethyl as the side-chain. It is also related to or classified as Se-methylselenocysteinate .
The molecule <smiles>CC(C)=CCC\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C</smiles> is an acyclic carotene commonly obtained from tomatoes and other red fruits. It has the role of antioxidant. It has the role of plant metabolite. It is also related to or classified as acyclic carotene.
The molecule <smiles>NC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)O</smiles> is A sulfonamide consisting of butanoic acid with a 4-aminobenzenesulfonamido group at its 4-position. It has the role of hapten.  It is also related to or classified as sulfonamide . It is also related to or classified as monocarboxylic acid.
The molecule <smiles>NC(=O)CF</smiles> is acetamide substituted at C-2 by a fluorine atom. It is also related to or classified as 2-fluoroacetamides.
The molecule <smiles>C\C(CO)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C</smiles> is an apo carotenoid C25 terpenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 12'-position. It is also related to or classified as apo carotenoid C25 terpenoid.
The molecule <smiles>NC1=CC=C(C=C1)S(=O)(=O)NC=2N=NC(=CC2)OCC</smiles> is A sulfonamide consisting of 6-ethoxypyridazine with a 4-aminobenzenesulfonamido group at the 3-position. Generally licensed for veterinary use only against bacterial infections, such as fowl cholera and salmonella infection. It has the role of antibacterial agent. It is also related to or classified as sulfonamide .
The molecule <smiles>NC1=CC=C(C=C1)S(=O)(=O)NC=2N=C(C(=C(N2)C)Br)C</smiles> is A sulfonamide consisting of 5-bromo-4,6-dimethylpyrimidine with a 4-aminobenzenesulfonamido group at the 2-position. A long-acting derivative of sulfamezathine, it is used in the poultry, swine and cattle industries for the treatment of coccidiosis and various bacterial infections. It has the role of antibacterial agent. Its functional parent is sulfamethazine. It is also related to or classified as sulfonamide .
The molecule <smiles>C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)O[C@H](C(O)=O)C</smiles> is A 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid that is the (S)-enantiomer of diclofop. It is also related to or classified as 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid .
The molecule <smiles>[H]C(=O)C(\C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C</smiles> is an apo carotenoid C25 terpenoid compound consisting of 12'-apo-beta-carotene having an aldehyde group in the 12'-position and an (R)-hydroxy substituent at the 3-position. It has the role of plant metabolite. It is also related to or classified as enal . It is also related to or classified as apo carotenoid C25 terpenoid.
The molecule <smiles>C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)OC(C(O)=O)C</smiles> is an aromatic ether that is 2-(4-hydroxyphenoxy)propanoic acid in which the hydrogen of the hydroxy group at position 4 has been substituted by a 2,4-dichlorophenyl group. It is also related to or classified as dichlorobenzene . It is also related to or classified as monocarboxylic acid, aromatic ether, diether.
The molecule <smiles>O=C1[C@]2([C@@](OCC1)(C=C[C@@H]3[C@H]2CC[C@H](C3)CO)C)C</smiles> is Peaurantiogriseol E. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)O[C@@H](C(O)=O)C</smiles> is A 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid that is the (R)-enantiomer of diclofop. It has the role of phenoxy herbicide. It is also related to or classified as 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid .
The molecule <smiles>C12=CC=CC=C1N=C(OC2=O)C=3C=CC=CC3</smiles> is A benzoxazine that is 4H-3,1-benzoxazin-4-one substituted by a phenyl group at position 2. It is a postemergence herbicide used for the control of annual weeds in cereal crops, maize, and rice. It has the role of herbicide. It is also related to or classified as benzoxazine.
The molecule <smiles>C\C(CO)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C</smiles> is the (R-enantiomer of an apo carotenoid C25 terpenoid compound consisting of 12'-apo-beta-carotene having hydroxy substituents at the 3- and 12'-positions. It is also related to or classified as apo carotenoid C25 terpenoid.
The molecule <smiles>[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)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@]4(O[C@@]([C@@H]([C@H](C4)O)NC(C)=O)([H])[C@@H]([C@@H](CO)O)O)C(O)=O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6O)CO)O[C@H]7[C@@H]([C@H](C(O[C@@H]7CO)O)NC(=O)C)O)O)NC(=O)C)O[C@H]8[C@H]([C@H](O)[C@@H]([C@H](C)O8)O)O</smiles> is A glucosamine oligosaccharide comprising N-acetyl-alpha-neuraminosyl, beta-D-galactosyl, 2-acetamido-2-deoxy-beta-D-glucosyl, beta-D-galactosyl, 2-acetamido-2-deoxy-3-O-(alpha-L-fucosyl)-beta-D-glucosyl, beta-D-galactosyl, and 2-acetamido-2-deoxy-D-glucose joined together in sequence by (2->3), (1->4), (1->3), (1->4), (1->3) and (1->4) glycosidic linkages, respectively. It is a conjugate acid of alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc(1-). It is also related to or classified as galactosamine oligosaccharide, glucosamine oligosaccharide, carbohydrate acid derivative.