anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC1=CC2=C3C(=C1C)C(CCN3C4C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)(C)C is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of prenyl-FMNH2; major species at pH 7.3. It is a conjugate base of a prenyl-FMNH2.
The molecule NCCC(O)CC(N)C(O)=O NCCC(O)CC(N)C(O)=O is A  hydroxylysine that is lysine substituted by a hydroxy group at position 4. It is also related to or classified as hydroxylysine .
The molecule C(CCCCCCC/C=C\C=C\C(CCCCC)O)(=O)O C(CCCCCCC/C=C\C=C\C(CCCCC)O)(=O)O is A HODE that consists of 9Z,11E-octadecadienoic acid carrying a 13-hydroxy substituent. It has the role of metabolite . It is a conjugate acid of 13-HODE(1-) . It is also related to or classified as HODE .
The molecule CSCCCC[C@@H](C(=O)[O-])N(O)O is an N,N-dihydroxy-L-polyhomomethioninate that is the conjugate base of N,N-dihydroxy-L-dihomomethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a N,N-dihydroxy-L-polyhomomethioninate and a N,N-dihydroxydihomomethioninate. It is a conjugate base of a N,N-dihydroxy-L-dihomomethionine.
The molecule COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)CC3=CC=C(C=C3)O)O is conjugate acid of (S)-coclaurine arising from protonation of the isoquinoline nitrogen. It is a conjugate acid of a (S)-coclaurine.
The molecule C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)[S-])OP(=O)([O-])[O-] is the trianion of molybdopterin obtained by deprotonation of the phosphate and 7-SH groups; major species at pH 7.3. It is a conjugate base of a molybdopterin.
The molecule NC[C@@H]1O[C@H](O)[C@H](N)[C@@H](O)[C@@H]1O NC[C@@H]1O[C@H](O)[C@H](N)[C@@H](O)[C@@H]1O is A hexosamine that is beta-L-idopyranose in which the hydroxy groups at positions 2 and 6 are replaced by amino groups. Its functional parent is beta-L-idopyranose . It is also related to or classified as hexosamine  .
The molecule [Na-] [Na-] is natride. It is also related to or classified as monoatomic monoanion  . It is also related to or classified as elemental sodium .
The molecule CN(C)CCCC[C@@H](C(=O)O)N is an L-lysine derivative comprising L-lysine having two methyl substituents attached to the side-chain amino group. It is a L-lysine derivative and a non-proteinogenic L-alpha-amino acid.
The molecule S([C@]1(NC(=O)[C@](SC)(CC2=CC=CC=C2)NC1=O)CC3=C(O)C=CC=C3)C S([C@]1(NC(=O)[C@](SC)(CC2=CC=CC=C2)NC1=O)CC3=C(O)C=CC=C3)C is Eutypellazine J. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C(CC(=O)C=2C1=CC(OC)=CC2O)C3=C(O)C=C(OC)C=C3 O1C(CC(=O)C=2C1=CC(OC)=CC2O)C3=C(O)C=C(OC)C=C3 is Artocarpanone A. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CCCCCC(O)\C=C\C=C/CCCCCCCC([O-])=O CCCCCC(O)\C=C\C=C/CCCCCCCC([O-])=O is A HODE(1-) that is the conjugate base of 13-HODE, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is linoleate . It is also related to or classified as HODE(1-) .
The molecule CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC is a member of the class of isoindoles that is isoindole-1,3-dione substituted at position 4 by an acetamido group and at position 1 by a 1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl group. Used for treatment of psoriatic arthritis. It has a role as a phosphodiesterase IV inhibitor and a non-steroidal anti-inflammatory drug. It is an aromatic ether, a N-acetylarylamine, a sulfone and a member of phthalimides.
The molecule COC1=C(C(=CC=C1)OC)C(=O)NNC(=O)C2=CC=CC=C2O is a carbohydrazide. It has a role as an EC 3.1.26.13 (retroviral ribonuclease H) inhibitor. It derives from a benzohydrazide.
The molecule C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O is an arabinonic acid. It is a conjugate acid of a D-arabinonate. It is an enantiomer of a L-arabinonic acid.
The molecule CCCCC(C)CC(C)CC(C)C CCCCC(C)CC(C)CC(C)C is an alkane that is decane substituted by a methyl group at positions 2,4 and 6. It has the role of plant metabolite . It has the role of fungal metabolite . It has the role of bacterial metabolite . It has the role of human metabolite .  It is also related to or classified as alkane  . It is also related to or classified as volatile organic compound .
The molecule C12N(C(NC(C1(C)C3(C2N(C(NC3=O)=O)[C@@H]4O[C@@H]([C@H](C4)O)COP(=O)(O)O)C)=O)=O)[C@@H]5O[C@@H]([C@H](C5)O)COP(=O)(O)O C12N(C(NC(C1(C)C3(C2N(C(NC3=O)=O)[C@@H]4O[C@@H]([C@H](C4)O)COP(=O)(O)O)C)=O)=O)[C@@H]5O[C@@H]([C@H](C5)O)COP(=O)(O)O is A cyclobutadipyrimidine bis(deoxyribonucleotide) obtained by formal cyclodimerisation of thymidine 5'-monophosphate. It has the role of Mycoplasma genitalium metabolite . It is also related to or classified as cyclobutadipyrimidine bis(deoxyribonucleotide) .
The molecule [H][C@]12CC[C@H](C)[C@@]1([H])[C@H](O)OC=C2C [H][C@]12CC[C@H](C)[C@@]1([H])[C@H](O)OC=C2C is an iridoid monoterpenoid that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted by methyl groups at positions 4 and 7 and a hydroxy group at position 1 (the 1R,4aS,7S,7aR-stereoisomer). It has the role of plant metabolite . It is also related to or classified as lactol  . It is also related to or classified as iridoid monoterpenoid .
The molecule C[C@@H]([C@H](C(=O)O)N)O is an optically active form of threonine having D-configuration. It has a role as a Saccharomyces cerevisiae metabolite. It is a threonine and a D-alpha-amino acid. It is a conjugate base of a D-threoninium. It is a conjugate acid of a D-threoninate. It is an enantiomer of a L-threonine. It is a tautomer of a D-threonine zwitterion.
The molecule C1=CC=C(C=C1)/C=C\\C2=CC=C(C=C2)NC(=O)CCCC(=O)O is a stilbenoid obtained by formal condensation of the amino group of (Z)-4-aminostilbene with one of the carboxy groups of glutaric acid. It is a stilbenoid, a monocarboxylic acid and a dicarboxylic acid monoamide.
The molecule OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O is A maltotetraose tetrasaccharide in which the glucose residue at the reducing end is in the aldehydo open-chain form. It has the role of antibacterial agent . It has the role of Escherichia coli metabolite . It is also related to or classified as maltotetraose tetrasaccharide .
The molecule FC1(F)\C(=C\C=C/2\[C@H]3[C@@]([C@H](CC3)[C@@H](CCCC(O)(C)C)C)(CCC2)C)\C([C@@H](O)C[C@@H]1O)=C FC1(F)\C(=C\C=C/2\[C@H]3[C@@]([C@H](CC3)[C@@H](CCCC(O)(C)C)C)(CCC2)C)\C([C@@H](O)C[C@@H]1O)=C is 4,4-difluoro-1alpha,25-dihydroxyvitamin d3 / 4,4-difluoro-1alpha,25-dihydroxycholecalciferol. It is also related to or classified as organic molecular entity .
The molecule S([C@]1(NC(=O)/C(=C/C2=CC=CC=C2)/NC1=O)CC3=C(O)C=CC=C3)C S([C@]1(NC(=O)/C(=C/C2=CC=CC=C2)/NC1=O)CC3=C(O)C=CC=C3)C is Eutypellazine I. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule N(C1=C(C=C(C=C1)OC)OC)(C=2C=C(NC3=CC=C(C=C3)N4CCN(CC4)C)N=CN2)C(NC5=C(C=CC=C5C)C)=O N(C1=C(C=C(C=C1)OC)OC)(C=2C=C(NC3=CC=C(C=C3)N4CCN(CC4)C)N=CN2)C(NC5=C(C=CC=C5C)C)=O is A member of the class of phenylureas that is a potent inhibitor of salt-inducible kinase 2, a potential target protein for therapy in ovarian cancer. It has the role of salt-inducible kinase 2 inhibitor . It has the role of antineoplastic agent . It is also related to or classified as phenylureas , aminopyrimidine , N-alkylpiperazine , N-arylpiperazine , secondary amino compound , dimethoxybenzene .
The molecule CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I is a member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias. It has a role as a cardiovascular drug. It is a member of 1-benzofurans, an organoiodine compound, an aromatic ketone and a tertiary amino compound.
The molecule C1CC1(C(=O)O)N is a non-proteinogenic alpha-amino acid consisting of cyclopropane having amino and carboxy substituents both at the 1-position. It has a role as a plant metabolite and a member of ethylene releasers. It is a monocarboxylic acid and a non-proteinogenic alpha-amino acid. It derives from a cyclopropanecarboxylic acid. It is a conjugate acid of a 1-aminocyclopropanecarboxylate. It is a tautomer of a 1-aminocyclopropanecarboxylic acid zwitterion.
The molecule C1[C@@H](CN[C@@H]1C(=O)O)O[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O is an O(4)-glycosyl-L-hydroxyproline that is cis-L-hydroxylproline glycosylated by a beta-L-Araf-(1->2)-beta-L-Araf-(1->2)-beta-L-Araf moiety It is a trisaccharide derivative, an O(4)-glycosyl-L-hydroxyproline, a L-proline derivative and a non-proteinogenic L-alpha-amino acid. It derives from a cis-4-hydroxy-L-proline. It is a tautomer of a 4-O-(beta-L-Araf-(1->2)-beta-L-Araf-(1->2)-beta-L-Araf)-cis-L-Hyp zwitterion.
The molecule [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)C(\C)=C\C)[C@]1(OC(=O)CCCCCCCCC)[C@@]2([H])C1(C)C [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)C(\C)=C\C)[C@]1(OC(=O)CCCCCCCCC)[C@@]2([H])C1(C)C is phorbol 13-decanoate 12-tiglate. It is also related to or classified as tertiary alpha-hydroxy ketone  .  It is also related to or classified as decanoate ester  . It is also related to or classified as phorbol ester .
The molecule C/C=C\\1/CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OC(=O)C is a pyrrolizine alkaloid that is seneciphylline in which the hydroxy hydrogen has been replaced by an acetyl group. It has a role as a Jacobaea metabolite. It is a macrocyclic lactone, an olefinic compound, an organic heterotricyclic compound, a pyrrolizine alkaloid and an acetate ester. It derives from a seneciphylline.
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C is campest-4-en-3-one. It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 3-oxo steroid  .
The molecule O1CC(C2=C(OC)C=C(O)C=C2)C(=O)C3=C1C=C(O)C=C3OC O1CC(C2=C(OC)C=C(O)C=C2)C(=O)C3=C1C=C(O)C=C3OC is 4',7-Dihydroxy-2',5-dimethoxyisoflavanone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule OC(=O)CCCCCCC\C=C\C=C\CCCCCC OC(=O)CCCCCCC\C=C\C=C\CCCCCC is an octadeca-9,11-dienoic acid having 9-trans,11-trans-stereochemistry. It has the role of antineoplastic agent . It has the role of antiatherogenic agent . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of bacterial xenobiotic metabolite . It has the role of human metabolite . It is a conjugate acid of (9E,11E)-octadecadienoate . It is also related to or classified as octadeca-9,11-dienoic acid  .
The molecule CCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 is A monocarboxylic acid amide that is the butyl amide derivative of adenosine 5'-carboxylic acid.  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as adenosines .
The molecule OC(=O)[C@@H](NC(=O)CC1=CC=CC=C1)CC2=CC=CC=C2 OC(=O)[C@@H](NC(=O)CC1=CC=CC=C1)CC2=CC=CC=C2 is N-phenylacetylphenylalanine. Its functional parent is L-phenylalanine . It is also related to or classified as N-acyl-amino acid .
The molecule c1ccc2cc3cc4ccccc4cc3cc2c1 c1ccc2cc3cc4ccccc4cc3cc2c1 is an acene that consists of four ortho-fused benzene rings in a rectilinear arrangement. It is also related to or classified as acene  . It is also related to or classified as tetracenes .
The molecule CC[C@H]1C[C@H](C(=O)/C=C/C(=C/[C@@H]([C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)C)O)CC)C)/C)C is a macrolide antibiotic that is tylactone having a beta-D-mycaminosyl residue attached at position 5. It has a role as a metabolite. It is a macrolide antibiotic, a monosaccharide derivative and an enone. It derives from a tylactone. It is a conjugate base of a 5-O-beta-D-mycaminosyltylactone(1+).
The molecule C1C2=C(C3=CC=CC=C31)C(=C(C=C2)O)O is a member of the class of hydroxyfluorenes that is 9H-fluorene substituted by hydroxy groups at positions 3 and 4. It has a role as a mouse metabolite.
The molecule CC(=O)N[C@@H](CCCC(O)=O)C(O)=O CC(=O)N[C@@H](CCCC(O)=O)C(O)=O is an N-acetyl-L-amino acid consisting of L-2-aminoadipic acid carrying an N-acetyl substituent. It has the role of human metabolite . It is a conjugate acid of N-acetyl-L-2-aminoadipate(2-) . It is also related to or classified as N-acyl-L-amino acid .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3 C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3 is 1-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=C(/C=C/C(O)=O)C=CC(O)=C1O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO C1=C(/C=C/C(O)=O)C=CC(O)=C1O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO is A hydroxycinnamic acid that is trans-caffeic acid in which the phenolic hydroxy group at position 3 has been converted into its beta-D-glucoside. It has the role of plant metabolite . Its functional parent is trans-caffeic acid . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as hydroxycinnamic acid , monosaccharide derivative .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCCCC)O is a ceramide that is the N-tetracosanoyl derivative of eicosasphinganine. It is a C20 dihydroceramide, a Cer(d44:0) and a N-(very-long-chain fatty acyl)-sphingoid base.
The molecule CCCCCCCC(=O)C(C)C(=O)N(C)[C@H](Cc1ccc(OC)cc1)C(=O)N(C)[C@@H](C(C)C)C(N)=O CCCCCCCC(=O)C(C)C(=O)N(C)[C@H](Cc1ccc(OC)cc1)C(=O)N(C)[C@@H](C(C)C)C(N)=O is Majusculamide A/B. It has the role of metabolite . It is also related to or classified as amino acid amide .
The molecule CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 is an oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, 1-benzyl-D-histidyl, leucyl, arginyl, and N-ethylprolinamide residues joined in sequence. It is a synthetic nonapeptide analogue of gonadotropin-releasing hormone, and is used as a subcutaneous hydrogel implant (particularly as the diacetate salt) for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty. It has the role of antineoplastic agent . It has the role of gonadotropin releasing hormone agonist . It is also related to or classified as oligopeptide  .
The molecule CCCCCC/C=C/C=C(/CCCCCCCC(=O)O)\OO CCCCCC/C=C/C=C(/CCCCCCCC(=O)O)\OO is A hydroperoxy fatty acid that is (9E,11E)-octadeca-9,11-dienoic acid carrying a hydroperoxy group at position 9. Its functional parent is (9E,11E)-octadecadienoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroperoxy polyunsaturated fatty acid  .
The molecule S1[C@@]23N(C(=O)[C@]4(SC)CC5[C@H](N4C2=O)[C@@H](O)CCC5=O)[C@@H]6[C@@H](O)C=C[C@H]1[C@]6(O)C3 S1[C@@]23N(C(=O)[C@]4(SC)CC5[C@H](N4C2=O)[C@@H](O)CCC5=O)[C@@H]6[C@@H](O)C=C[C@H]1[C@]6(O)C3 is Eutypellazine H. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(C=1N(C=NC1)C)[C@@H]2[C@@H](C(=O)OC2)CC.Cl C(C=1N(C=NC1)C)[C@@H]2[C@@H](C(=O)OC2)CC.Cl is the hydrochloride salt of (+)-pilocarpine,  a medication used to treat increased pressure inside the eye and dry mouth. It is also related to or classified as hydrochloride .
The molecule C=1(O)C2=C(C(C3=C(C=CC=C3OC)C2=O)=O)C(O)=C4C1C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)([C@H](CO)O)O C=1(O)C2=C(C(C3=C(C=CC=C3OC)C2=O)=O)C(O)=C4C1C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)([C@H](CO)O)O is A member of the class of tetracenequinones that is the major metabolite of the anthracycline doxorubicin, a chemotherapeutic agent effective against a broad range of malignant neoplasms. It is thought to exhibit cardiotoxic properties. It has the role of drug metabolite . It has the role of cardiotoxic agent .   It is also related to or classified as phenols  . It is also related to or classified as p-quinones , polyol , deoxy hexoside , aromatic ether , aminoglycoside , anthracycline antibiotic , tetracenequinones .
The molecule CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O is an organophosphate oxoanion arising from deprotonation of the diphosphate OH groups of thymidine 5'-diphosphate; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a dTDP.
The molecule CC(=O)OC[C@@H](C(=O)O)N is an acetyl-L-serine where the acetyl group is attached to the side-chain oxygen. It is an intermediate in the biosynthesis of the amino acid cysteine in bacteria. It has a role as a bacterial metabolite and a Saccharomyces cerevisiae metabolite. It is an acetate ester and an acetyl-L-serine. It is a tautomer of an O-acetyl-L-serine zwitterion.
The molecule C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)COC(=O)C(C)(C)C)C)O)Cl)C)F is the 21-O-pivalate ester of clocortolone. It is used for the relief of inflammatory and pruritic (itching) skin disorders. It has a role as an anti-inflammatory drug and an antipruritic drug. It is a glucocorticoid, an 11beta-hydroxy steroid, a pivalate ester, a 20-oxo steroid, a fluorinated steroid, a 3-oxo-Delta(1),Delta(4)-steroid and a chlorinated steroid. It derives from a clocortolone.
The molecule [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CCC(=O)C2 [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CCC(=O)C2 is A brassinosteroid that is 5alpha-campestane bearing an oxo substituent at position 3. It has the role of plant metabolite . It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as C28-steroid  . It is also related to or classified as brassinosteroid .
The molecule C1CNCC(C2=C1C=C(C(=C2)O)O)C3=CC=CC=C3 C1CNCC(C2=C1C=C(C(=C2)O)O)C3=CC=CC=C3 is A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1 and two hydroxy substituents at positions 7 and 8. It is also related to or classified as catechols  . It is also related to or classified as benzazepine  . It is also related to or classified as secondary amino compound .
The molecule O[C@@H]1C\C(=C\C=C/2\[C@H]3[C@](CCC2)(C(=CC3)[C@@H](CC#CC(O)(C)C)C)C)\C(CC1)=C O[C@@H]1C\C(=C\C=C/2\[C@H]3[C@](CCC2)(C(=CC3)[C@@H](CC#CC(O)(C)C)C)C)\C(CC1)=C is 25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin d3 / 25-hydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol. It is also related to or classified as organic molecular entity .
The molecule [H]C(=O)N1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12 [H]C(=O)N1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12 is A dicarboxylic acid dianion arising from deprotonation of both carboxylic acid groups of (6S)-5-formyltetrahydrofolic acid. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as dicarboxylic acid dianion  .
The molecule CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N is a sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms. It has a role as an antibacterial drug and a drug allergen. It is a member of isoxazoles, a sulfonamide and a sulfonamide antibiotic. It derives from a sulfanilamide.
The molecule CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(N)=O CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(N)=O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of malonamic acid. Its functional parent is malonamic acid . It is also related to or classified as acyl-CoA  .
The molecule CC(C)=C[C@@H]1[C@H](C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C CC(C)=C[C@@H]1[C@H](C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C is (-)-cis-allethrin. Its functional parent is (-)-cis-chrysanthemic acid . It is also related to or classified as cis-allethrin .
The molecule O[C@@H](C/C=C/CCCCC)/C=C/CC[C@@H](O)CC(=O)O O[C@@H](C/C=C/CCCCC)/C=C/CC[C@@H](O)CC(=O)O is (3R,6E,8S,10E)-3,8-dihydroxyhexadeca-6,10-dienoic acid. It is also related to or classified as long-chain fatty acid  . It is also related to or classified as polyunsaturated fatty acid , dihydroxy monocarboxylic acid .
The molecule CCCCCCCCCCCCCCCC(CC(=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)O is a 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxyoctadecanoic acid. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a 3-hydroxy fatty acyl-CoA, a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It derives from a 3-hydroxyoctadecanoic acid. It is a conjugate acid of a 3-hydroxyoctadecanoyl-CoA(4-).
The molecule O=C(O)C(CC(=O)O[C@@H]([C@@H](OC(=O)CC(C(=O)O)CC(=O)O)C[C@H](CCCCCCCC[C@H](O)CN)C)[C@@H](CCCC)C)CC(=O)O O=C(O)C(CC(=O)O[C@@H]([C@@H](OC(=O)CC(C(=O)O)CC(=O)O)C[C@H](CCCCCCCC[C@H](O)CN)C)[C@@H](CCCC)C)CC(=O)O is Fumonisin C4. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)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)O)O)O)O)O)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)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)O)O)O)O)O)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC is an alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide in which the ceramide N-acyl group is specified as (17Z)-hexacosenoyl. It has the role of human blood serum metabolite . It is also related to or classified as alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide  .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)O)CO)N is a nucleoside phosphate that is oxetanocin A in which the hydroxy of the hydroxymethyl group attached to the carbon bonded to the oxetane oxygen has been converted into the corresponding dihydrogen phosphate. It derives from an oxetanocin A. It is a conjugate base of an oxetanocin A 4-phosphate(2-).