anonymous041/ChEBI-Augmented huggingface dataset:
The molecule S([C@]1(N(C(=O)/C(=C/C2=CC=CC=C2)/N(C1=O)C)C)CO)C S([C@]1(N(C(=O)/C(=C/C2=CC=CC=C2)/N(C1=O)C)C)CO)C is ( Z)-6-benzylidene-3-hydroxymethyl-1,4-dimethyl-3-methylsulfanylpiperazine-2,5-dione. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O)O)O is dianion of GDP-6-deoxy-alpha-D-talose arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It is a conjugate base of a GDP-6-deoxy-alpha-D-talose.
The molecule Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 is A pyrimidine nucleoside in which cytosine is attached to D-arabinofuranose via a beta-N(1)-glycosidic bond. Used mainly in the treatment of leukaemia, especially acute non-lymphoblastic leukaemia, cytarabine is an antimetabolite antineoplastic agent that inhibits the synthesis of DNA. It also has antiviral and immunosuppressant properties. It has the role of antiviral agent . It has the role of antimetabolite . It has the role of antineoplastic agent . It has the role of immunosuppressive agent . Its functional parent is cytosine . It is also related to or classified as pyrimidine nucleoside , beta-D-arabinoside , monosaccharide derivative .
The molecule ClC=1C(=N)C=2NC(C(=O)OC)=CC=3C2C(C1N)=NC3O ClC=1C(=N)C=2NC(C(=O)OC)=CC=3C2C(C1N)=NC3O is Ammosester C. It is also related to or classified as organohalogen compound  . It is also related to or classified as quinolines .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C[C@]2(C[C@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCCC(C)C)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C[C@]2(C[C@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCCC(C)C)C)[H])[H])C)[H])C is A cholestanoid that is 5alpha-cholestan-3beta-ol carrying an additional oxo substituent at position 7. It has the role of human metabolite . Its functional parent is (5alpha)-cholestan-3beta-ol . It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as 7-oxo steroid  . It is also related to or classified as cholestanoid .
The molecule C=1(C=CC=C(C1OC)OS(O)(=O)=O)O C=1(C=CC=C(C1OC)OS(O)(=O)=O)O is an aryl sulfate that is pyrogallol in which the phenolic hydrogens at positions 1 and 2 are replaced by sulfo and methyl groups respectively. It has the role of human blood serum metabolite . Its functional parent is pyrogallol . It is a conjugate acid of 2-methoxyresorcinol sulfate(1-) . It is also related to or classified as guaiacols  . It is also related to or classified as aryl sulfate .
The molecule [In] [In] is A metallic element first identified and named from the brilliant indigo (Latin indicum) blue line in its flame spectrum. It is also related to or classified as post-transition metal atom , boron group element atom .
The molecule O=C1C=C2[C@](O)(CC[C@]3([C@H]2CC[C@@H]4[C@@]3(C=5NC=6C=CC=CC6C5C4)C)C)O[C@@H]1C(O)(C)C O=C1C=C2[C@](O)(CC[C@]3([C@H]2CC[C@@H]4[C@@]3(C=5NC=6C=CC=CC6C5C4)C)C)O[C@@H]1C(O)(C)C is 7a-Hydroxy-13-desoxypaxilline. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC=2C3=C(OC(=CC3=O)C4=CC(OC)=C(OC)C(OC)=C4)C=C(OC)C2)C)[C@@H]5OC[C@@H](O)[C@H](O)C5O O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC=2C3=C(OC(=CC3=O)C4=CC(OC)=C(OC)C(OC)=C4)C=C(OC)C2)C)[C@@H]5OC[C@@H](O)[C@H](O)C5O is Tricetin 7,3',4',5'-trimethyl eter 5-xylosyl-(1->2)-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1 is an acene that consists of four ortho-fused benzene rings in a rectilinear arrangement. It is an acene and a member of tetracenes.
The molecule [H]C(=O)\C=C\C(C([O-])=O)=C(\O)C([O-])=O [H]C(=O)\C=C\C(C([O-])=O)=C(\O)C([O-])=O is A dicarboxylic acid dianion arising from deprotonation of both carboxy groups of 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion  .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 is 4-(dimethylamino)-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCC/C=C\\CCCCCCCC(=O)N is a primary fatty amide resulting from the formal condensation of the carboxy group of (9Z)-hexadecenoic acid with ammonia. It has a role as a fungal metabolite and a human metabolite. It derives from a palmitoleic acid.
The molecule C1[C@@]2([C@]3(CC[C@]4([C@](C3=CC=C2C[C@H](C1)O)(CC[C@@]4([C@@H](CC[C@@H](C(C)C)O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@](C3=CC=C2C[C@H](C1)O)(CC[C@@]4([C@@H](CC[C@@H](C(C)C)O)C)[H])[H])C)[H])C is A cholestanoid that is 7-dehydrocholesterol carrying an additional hydroxy substituent at position 24 (24S-stereoisomer). It has the role of human metabolite . Its functional parent is cholesta-5,7-dien-3beta-ol .  It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as C27-steroid , 24-hydroxy steroid , cholestanoid .
The molecule [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])CC(=O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)CCC(C)(C)O [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])CC(=O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)CCC(C)(C)O is 3-dehydroecdysone. Its functional parent is ecdysone . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as 3-oxo steroid  .
The molecule O=C(O)[C@@]1(O)C2(OC(CCC[C@@H](OC(=O)C)[C@@H](C/C=C/C3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2OC(=O)CCCCCCC)O)C(=O)O O=C(O)[C@@]1(O)C2(OC(CCC[C@@H](OC(=O)C)[C@@H](C/C=C/C3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2OC(=O)CCCCCCC)O)C(=O)O is Zaragozic acid D. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [Sr++] [Sr++] is strontium(2+). It has the role of cofactor . It is also related to or classified as monoatomic dication  . It is also related to or classified as strontium cation , divalent metal cation .
The molecule C(C(C(=O)O)O)S(=O)(=O)O is the C-sulfonato derivaive of lactic acid. It derives from a rac-lactic acid. It is a conjugate acid of a 3-sulfonatolactate(2-).
The molecule [H][C@@](C)(CCC(=O)C(C)C(=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)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C [H][C@@](C)(CCC(=O)C(C)C(=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)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C is an acyl-CoA(4-) that is the tetraanion of 3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups. It has the role of human metabolite . It is also related to or classified as steroidal acyl-CoA(4-)  .
The molecule COC1=C(O)C=CC(\C=C\C2=CC(O)=CC(O)=C2)=C1 COC1=C(O)C=CC(\C=C\C2=CC(O)=CC(O)=C2)=C1 is A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 5, while the other phenyl group is substituted by a methoxy group at position 3 and a hydroxy group at position 4. It natural product isolated from the seeds of Aiphanes aculeata and has antioxidant, anti-tumour, and anti-inflammatory effects. It has the role of antioxidant . It has the role of antiviral agent . It has the role of hypoglycemic agent . It has the role of antineoplastic agent . It has the role of anti-inflammatory agent . It has the role of plant metabolite . It has the role of cardioprotective agent . Its functional parent is piceatannol . It is also related to or classified as guaiacols  .   It is also related to or classified as stilbenol  . It is also related to or classified as polyphenol , resorcinols .
The molecule O=C(N[C@@H](C)C(O)=O)CCCCCCCCCCCCCCCCC O=C(N[C@@H](C)C(O)=O)CCCCCCCCCCCCCCCCC is N-Stearoyl alanine. It is a conjugate acid of N-stearoyl-L-alaninate . It is also related to or classified as N-acyl-L-amino acid .
The molecule C[C@@H]1CC(=O)[C@@H](O)C(O1)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O C[C@@H]1CC(=O)[C@@H](O)C(O1)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O is A dTDP-sugar having 3-dehydro-4,6-dideoxy-D-glucose as the sugar component. Its functional parent is dTDP-D-glucose . It is also related to or classified as dTDP-sugar  . It is also related to or classified as secondary alpha-hydroxy ketone  .
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)S(=O)(=O)C3=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)S(=O)(=O)C3=CC=CC=C3 is N-[[(3R,9R,10S)-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]-N-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [C@H](CSC)(C(O)=O)N [C@H](CSC)(C(O)=O)N is A cysteine derivative that is L-cysteine in which the hydrogen attached to the sulfur is replaced by a methyl group. It has the role of plant metabolite . It has the role of human urinary metabolite . It is also related to or classified as S-alkyl-L-cysteine  .
The molecule O=C1C(C=2C(=O)[C@@](OC(=O)C)(C(=O)C=3C2[C@@H](OC(=O)C)[C@@]4(O[C@@H](CCC4)C)OC3)C)=C5C(=CO[C@@]6([C@@H]5OC(=O)C)O[C@H](CCC6)C)C([C@@]1(OC(=O)C)C)=O O=C1C(C=2C(=O)[C@@](OC(=O)C)(C(=O)C=3C2[C@@H](OC(=O)C)[C@@]4(O[C@@H](CCC4)C)OC3)C)=C5C(=CO[C@@]6([C@@H]5OC(=O)C)O[C@H](CCC6)C)C([C@@]1(OC(=O)C)C)=O is Cochliodone C. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [H]OP([H])([H])=O [H]OP([H])([H])=O is A phosphorus oxoacid that consists of a single pentavalent phosphorus covalently bound via single bonds to two hydrogens and a hydroxy group and via a double bond to an oxygen. The parent of the class of phosphinic acids. It has the role of antioxidant . It is a conjugate acid of phosphinate . It is also related to or classified as phosphinic acids , phosphorus oxoacid .
The molecule C1C2=CC=CC=C2C3=CC=CC=C31 is an ortho-fused tricyclic hydrocarbon that is a major component of fossil fuels and their derivatives It is an ortho-fused polycyclic arene and an ortho-fused tricyclic hydrocarbon.
The molecule O=C(N[C@@H](CC(C)C)C(O)=O)CCCCCCCCCCCCCCC O=C(N[C@@H](CC(C)C)C(O)=O)CCCCCCCCCCCCCCC is N-Palmitoyl leucine. It is a conjugate acid of N-palmitoyl-L-leucinate . It is also related to or classified as leucine derivative .
The molecule O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO is an amino disaccharide consisting of alpha-D-mannopyranose and 2-acetamido-2-deoxy-beta-D-glucopyranose joined in sequence by a (1->4) glycosidic bond. Its functional parent is N-acetyl-beta-D-glucosamine . Its functional parent is alpha-D-mannose . It is also related to or classified as acetamides , amino disaccharide , glycosylglucose derivative .
The molecule O=C1N(C=2C=CC=CC2[C@@H]1C[C@H]3C(=C)[C@@]4([C@H]([C@]5([C@@H](O[C@@H](C(O)(C)C)CC5)CC4)C)CC3)C)C(C=C)(C)C O=C1N(C=2C=CC=CC2[C@@H]1C[C@H]3C(=C)[C@@]4([C@H]([C@]5([C@@H](O[C@@H](C(O)(C)C)CC5)CC4)C)CC3)C)C(C=C)(C)C is Anthcolorin D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)CO is A glycosyl alditol consisting of beta-D-glucopyranose and D-glucitol joined in sequence by a (1->6) glycosidic bond. Its functional parent is beta-D-glucose . Its functional parent is D-glucitol . It is also related to or classified as glycosyl alditol .
The molecule N([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)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)C(CCOCCOCCOCCOCCNC(CCN4C(C=CC4=O)=O)=O)=O N([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)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)C(CCOCCOCCOCCOCCNC(CCN4C(C=CC4=O)=O)=O)=O is A trisaccharide derivative in which a trisaccharide consisting of alpha-D-galactose, beta-D-galactose and beta-D-glucose residues linked sequentially (1->3) and (1->4), with the glucosyl residue at the reducing end being linked glycosidically to the terminal amide nitrogen of 19-maleimido-17-oxo-4,7,10,13-tetraoxa-16-azanonadecan-1-amide. It is also related to or classified as maleimides , trisaccharide derivative .
The molecule [H]OSO[H] [H]OSO[H] is dihydroxidosulfur. It is a conjugate acid of hydroxidooxidosulfate(1-) . It is also related to or classified as sulfur oxoacid .
The molecule O=C(O)[C@@H]1[C@H](O)[C@H](O)[C@H](NC(=O)C)NC1 O=C(O)[C@@H]1[C@H](O)[C@H](O)[C@H](NC(=O)C)NC1 is A-72363 C.  It is also related to or classified as carboxylic acid  . It is also related to or classified as piperidines .
The molecule CCOc1ccc(cc1)[Si](C)(C)CCCc1ccc(F)c(Oc2ccccc2)c1 CCOc1ccc(cc1)[Si](C)(C)CCCc1ccc(F)c(Oc2ccccc2)c1 is an organosilicon compound that is dimethylsilane in which one of the hydrogens attached to the silicon is replaced by a 4-ethoxyphenyl group, while the other is replaced by a 3-(4-fluoro-3-phenoxyphenyl)propyl group. It is an insecticide used to control soil-borne insects. It has the role of pyrethroid ether insecticide . Its functional parent is 4-(trimethylsilyl)phenol .   It is also related to or classified as organofluorine compound  . It is also related to or classified as organosilicon compound , aromatic ether .
The molecule CC(C)(CCC1=C(C=CC2=C1O[C@@H]3[C@H]2COC4=C3C=CC(=C4)O)O)O is a member of the class of pterocarpans that is phaseollidin in which the prenyl group is replaced by a 3-hydroxy-3-methylbutyl group. It has a role as a phytoalexin. It derives from a phaseollidin.
The molecule O=C1C2=C(OC=C1C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]4O)O)C=C3)C=C(O)C=C2O O=C1C2=C(OC=C1C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]4O)O)C=C3)C=C(O)C=C2O is Genistein 4'-O-glucuronide. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule [C@H](CSC)(C([O-])=O)[NH3+] [C@H](CSC)(C([O-])=O)[NH3+] is an S-alkyl-L-cysteine zwitterion obtained by transfer of a proton from the carboxy to the amino group of S-methylcysteine; major species at pH 7.3. It is also related to or classified as S-alkyl-L-cysteine zwitterion  .
The molecule O=C1O[C@@H](C[C@@H](OC(=O)C)C(=O)C[C@H](CC1)O)C O=C1O[C@@H](C[C@@H](OC(=O)C)C(=O)C[C@H](CC1)O)C is 8alpha-acetoxy-5alpha-hydroxy-7-oxodecan-10-olide. It is also related to or classified as ketone  . It is also related to or classified as carboxylic ester  .
The molecule [H]P([O-])(=O)CC(=O)C([O-])=O [H]P([O-])(=O)CC(=O)C([O-])=O is A 2-oxo monocarboxylic acid anion arising from deprotonation of the carboxy and hydroxyphosphinyl groups of (hydroxyphosphinyl)pyruvic acid; major species at pH 7.3. It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule CCCCCC1CCCC(=O)O1 is a delta-lactone that is 5-valerolactone substituted by a pentyl group at position 6. It has a role as a metabolite. It derives from a 5-valerolactone.
The molecule CC(CC(C)C1OC(=O)CC(=O)CCCC(=O)CC(O)CC(O)CC(O)CC(=O)CC(O)C(C(O)CC(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C1C)C(O)=O)C(O)CC(=O)c1ccc(N)cc1 CC(CC(C)C1OC(=O)CC(=O)CCCC(=O)CC(O)CC(O)CC(O)CC(=O)CC(O)C(C(O)CC(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C1C)C(O)=O)C(O)CC(=O)c1ccc(N)cc1 is A 38-membered ring lactone containing seven (E)-double bonds between positions 22 and 35 and substituted by hydroxy groups at positions 9, 11, 13, 17 and 19, oxo groups at positions 3, 7 and 15, a carboxy group at position 18, a 3-amino-3,6-dideoxymannopyranosyloxy group at position 21, a methyl group at position 36 and a 7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl group at position 37. It is the major component of candicidin, a mixture of antifungal heptaene macrolides obtained from a strain of Streptomyces griseus. It has the role of bacterial metabolite . It has the role of antifungal drug . It is also related to or classified as macrolide antibiotic , polyene antibiotic .
The molecule CC(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O CC(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O is A member of the class of isoflavones that is isoflavone in which the hydrogen at position 7 is replaced by an isopropoxy group. A synthetic isoflavone, it was formerly used for the treatment of osteoporosis, although a randomised controlled study failed to show any benefit. It is still used to prevent osteoporosis in post-menopausal women. It has the role of bone density conservation agent .  It is also related to or classified as isoflavones  . It is also related to or classified as aromatic ether .
The molecule [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])([C@@H](O)C[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])([C@@H](O)C[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 is A cardenolide glycoside that is gitoxigenin in which the 3beta-hydroxy group has been glycosylated with tridigitoxose. Its functional parent is gitoxigenin . It is also related to or classified as cardenolide glycoside .
The molecule O1[C@H](O[C@@H]2C(=C[C@H](N[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3C)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]8O[C@@H]([C@@H](N[C@H]9C=C([C@@H](O)[C@@H]([C@H]9O)O)CO)[C@@H]([C@H]8O)O)C O1[C@H](O[C@@H]2C(=C[C@H](N[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3C)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]8O[C@@H]([C@@H](N[C@H]9C=C([C@@H](O)[C@@H]([C@H]9O)O)CO)[C@@H]([C@H]8O)O)C is Acarviostatin II03. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@](C3=CC=C2C[C@H](C1)O)(CC[C@@]4([C@@H](CCCC(C)(C)O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@](C3=CC=C2C[C@H](C1)O)(CC[C@@]4([C@@H](CCCC(C)(C)O)C)[H])[H])C)[H])C is A cholestanoid that is 7-dehydrocholesterol carrying an additional hydroxy substituent at position 25. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . Its functional parent is cholesta-5,7-dien-3beta-ol .  It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as C27-steroid , 25-hydroxy steroid , cholestanoid .
The molecule C=1C(=CC=C(C1OC)OS([O-])(=O)=O)C=C C=1C(=CC=C(C1OC)OS([O-])(=O)=O)C=C is A phenyl sulfate oxoanion that is the conjugate base of 4-vinylguaiacol sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is also related to or classified as phenyl sulfate oxoanion  .
The molecule ClC1=C(Cl)C(OC)=C(O)C(=C1OC)Cl ClC1=C(Cl)C(OC)=C(O)C(=C1OC)Cl is 2,4,5-Trichlor-3,6-dimethoxy-phenol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C(C(CO)OP(=O)([O-])[O-])([O-])=O C(C(CO)OP(=O)([O-])[O-])([O-])=O is A phosphoglycerate obtained by deprotonation of the carboxy and phosphate OH groups of 2-phosphoglyceric acid. It has the role of mouse metabolite . It is also related to or classified as phosphoglycerate .
The molecule C1CN(CC=C1C2=CC=CC=C2)CCCCC3=CNC4=C3C=C(C=C4)C(=O)O is an indolecarboxylic acid that is indole-5-carboxylic acid bearing an additional 4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)butyl substituent at position 3. Selective, peripherally acting dopamine D2 receptor agonist. Modulates noradrenalin release and sympathetic activation. Displays antihypertensive properties in vivo. It has a role as an antihypertensive agent, a dopamine agonist and a platelet aggregation inhibitor. It is an indolecarboxylic acid, a tetrahydropyridine and a tertiary amino compound. It is a conjugate base of a carmoxirole(1+).
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO)C)CNC C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO)C)CNC is 4-chloro-N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=[P-] O=[P-] is oxidophosphate(1-). It is also related to or classified as phosphorus oxoanion , monovalent inorganic anion .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 is N-[[(3R,9R,10S)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-12-[(2R)-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]-N-methylbenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)O)[H])(CC[C@@]4([C@H](C)CC/C=C(\CO)/C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)O)[H])(CC[C@@]4([C@H](C)CC/C=C(\CO)/C)[H])[H])C)[H])C is A cholestanoid that is desmosterol carrying an additional hydroxy susbstituent at position 26. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is desmosterol .  It is also related to or classified as primary allylic alcohol  . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as C27-steroid , 26-hydroxy steroid , cholestanoid .
The molecule C=1C(=CC=C(C1OC)OS(O)(=O)=O)C=C C=1C(=CC=C(C1OC)OS(O)(=O)=O)C=C is an aryl sulfate that is 4-vinylcatechol in which the two phenolic hydrogens are replaced by methyl and sulfo groups. Its functional parent is catechol . It is a conjugate acid of 4-vinylguaiacol sulfate(1-) . It is also related to or classified as monomethoxybenzene , styrenes , aryl sulfate .
The molecule [H][C@@]12C[C@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C [H][C@@]12C[C@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C is betamethasone acetate. Its functional parent is betamethasone . It is also related to or classified as tertiary alpha-hydroxy ketone  .  It is also related to or classified as 11beta-hydroxy steroid  .  It is also related to or classified as acetate ester  .   It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as 17alpha-hydroxy steroid , 20-oxo steroid , steroid ester , fluorinated steroid .