anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H](CCC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)OS([O-])(=O)=O C[C@@H](CCC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)OS([O-])(=O)=O is anionic form of a sulfated menaquinone-type compound arising from deprotonation of the sulfate OH; a metabolite from Mycobacterium tuberculosis lipid extracts. It is also related to or classified as organosulfate oxoanion  .
The molecule O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=CC=C(C=C2)C=3OC=4C(C(=O)C3)=C(O)C(OC)=C(OC)C4)C(O)=O O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=CC=C(C=C2)C=3OC=4C(C(=O)C3)=C(O)C(OC)=C(OC)C4)C(O)=O is Scutellarein 6,7-dimethyl ether 4'-glucuronide. It is also related to or classified as beta-D-glucosiduronic acid , flavonoids .
The molecule CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1 CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1 is an organochlorine compound that is 2-(4-chlorobenzyl)pyridine in which one of the benzylic hydrogens is substituted by 2-(dimethylamino)ethoxy group. It is an ethanolamine-type antihistamine, used as its maleate salt for treating hay fever, as well as mild cases of Parkinson's disease. It has the role of H1-receptor antagonist . It has the role of antiparkinson drug . It has the role of muscarinic antagonist . It has the role of anti-allergic agent . It is also related to or classified as pyridines , tertiary amino compound , monochlorobenzenes .
The molecule C[C@H]1O[C@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O[C@H]3O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]3O[C@H]3O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1NC=O C[C@H]1O[C@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O[C@H]3O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]3O[C@H]3O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1NC=O is an amino tetrasaccharide consisting of four N-formyl-alpha-D-perosamine residues linked sequentially (1->2), (1->3) and (1->2). It is also related to or classified as amino tetrasaccharide .
The molecule Oc1ccc(cc1O)[As+](c1ccccc1)(c1ccccc1)c1ccccc1 Oc1ccc(cc1O)[As+](c1ccccc1)(c1ccccc1)c1ccccc1 is an arsonium ion consisting of tetraphenylarsonium having two hydroxy groups at positions 3 and 4 on one of the phenyl rings. It is also related to or classified as arsonium ion , polyatomic cation .
The molecule CCCCCCCCCCCCCCCC(=O)OCC(=O)COP([O-])([O-])=O CCCCCCCCCCCCCCCC(=O)OCC(=O)COP([O-])([O-])=O is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 1-palmitoylglycerone 3-phosphate; major species at pH 7.3. It is also related to or classified as 1-acylglycerone 3-phosphate(2-)  .
The molecule C(\CCCCCCCC(=O)N[C@H](C([O-])=O)CC(C)C)=C\CCCCCCCC C(\CCCCCCCC(=O)N[C@H](C([O-])=O)CC(C)C)=C\CCCCCCCC is an N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-leucine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-L-leucine(1-)  . It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid anion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C([O-])=O CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C([O-])=O is A monohydroxybenzoate that is the conjugate base of phaeomoniecin D resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3. It is also related to or classified as monohydroxybenzoate .
The molecule [H]C(=O)c1ccc(CO)o1 [H]C(=O)c1ccc(CO)o1 is A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. It has the role of indicator . It has the role of Maillard reaction product . It is also related to or classified as primary alcohol  .  It is also related to or classified as arenecarbaldehyde  . It is also related to or classified as furans .
The molecule O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\[C@@H](CCCC)O)O O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\[C@@H](CCCC)O)O is A 16-HETE in which the chiral centre at position 16 has R-configuration. It has the role of mouse metabolite . It is a conjugate acid of 16(R)-HETE(1-) . It is also related to or classified as 16-HETE  .
The molecule [NH3+]C(CO)C(O)=O [NH3+]C(CO)C(O)=O is an alpha-amino-acid cation that is the conjugate acid of serine. It has the role of fundamental metabolite . It is a conjugate acid of serine . It is also related to or classified as alpha-amino-acid cation .
The molecule [O-]C(=O)c1cc(oc(=O)c1)C([O-])=O [O-]C(=O)c1cc(oc(=O)c1)C([O-])=O is A dicarboxylic acid dianion obtained via deprotonation of both carboxy groups of 2-oxo-2H-pyran-4,6-dicarboxylic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion  .
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)C(O)=O)O)O)O)O)O)OCCN [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)C(O)=O)O)O)O)O)O)OCCN is A beta-D-glucoside that is the 2-aminoethyl glycoside of a disaccharide consisting of beta-D-glucuronosyl and beta-D-glucosyl residues linked (1->4). It is also related to or classified as beta-D-glucoside  . It is also related to or classified as disaccharide derivative .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(=C)[C@H]1CCC(C)=CC1 CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(=C)[C@H]1CCC(C)=CC1 is A sesterterpene that is 1-methylcyclohexene substituted by a (5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl group at position 4 (the 4S-stereoisomer). It has the role of bacterial metabolite .  It is also related to or classified as sesterterpene  . It is also related to or classified as cyclic olefin , polyene , carbocyclic compound .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)CO[C@@H]5O[C@H](C(O)C5O)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)CO[C@@H]5O[C@H](C(O)C5O)CO is Luteolin 7-arabinofuranosyl-(1->6)-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OC12C(C(O)(CC1O)C)C(OC=C2)OC3OC(C(O)C(O)C3O)COC4OC(C(O)C(O)C4O)CO OC12C(C(O)(CC1O)C)C(OC=C2)OC3OC(C(O)C(O)C3O)COC4OC(C(O)C(O)C4O)CO is Stachyoside A. It is also related to or classified as glycoside  . It is also related to or classified as iridoid monoterpenoid .
The molecule CC(=O)NCCCC([NH3+])CC([O-])=O CC(=O)NCCCC([NH3+])CC([O-])=O is zwitterionic form of 6-acetamido-3-aminohexanoic acid. It is also related to or classified as amino-acid zwitterion .
The molecule CC(C)CC(=O)C(O)=O CC(C)CC(=O)C(O)=O is A 2-oxo monocarboxylic acid that is pentanoic acid (valeric acid) substituted with a keto group at C-2 and a methyl group at C-4. A metabolite that has been found to accumulate in maple syrup urine disease. It has the role of human metabolite . It has the role of algal metabolite . Its functional parent is valeric acid . It is a conjugate acid of 4-methyl-2-oxopentanoate .  It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as branched-chain keto acid .
The molecule CC1=CC=C(O1)C(=O)N1CSCC1C(=O)NC1=NC=C(C)S1 CC1=CC=C(O1)C(=O)N1CSCC1C(=O)NC1=NC=C(C)S1 is A furan that is substituted by {4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}carbonyl and methyl groups at positions 2 and 5, respectively. It is a glue degrader that induces the ubiquitination and degradation of cyclin K by prompting an interaction between CDK12:cyclin K with a CRL4B ligase complex. 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 furans , thiazolidines , 1,3-thiazoles .
The molecule C(\CCCCCCCC(=O)N[C@H](C([O-])=O)CCC(=O)N)=C\CCCCCCCC C(\CCCCCCCC(=O)N[C@H](C([O-])=O)CCC(=O)N)=C\CCCCCCCC is an N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-glutamine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-L-glutamine(1-)  . It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid anion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)[C@@H]2C[C@H]1C(C)=CC2 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)[C@@H]2C[C@H]1C(C)=CC2 is A sesterterpene that is 2,6-dimethylbicyclo[3.1.1]hept-2-ene substituted by a (6E,10E)-2,6,10-trimethyltrideca-2,6,10-trien-13-yl at position 6 (the 1S,5S,6R-stereoisomer). It has the role of bacterial metabolite . It is also related to or classified as sesterterpene  . It is also related to or classified as polycyclic olefin , bridged compound , carbobicyclic compound , polyene .
The molecule O(C1C(O)C(O)C(OC1OC2=CC=C(C=C2)C=3OC4=CC(OC5OC(C(O)C(O)C5O)C(O)=O)=CC(O)=C4C(=O)C3)C(O)=O)C6OC(C(O)C(O)C6OC(=O)/C=C/C7=CC=C(O)C=C7)C(O)=O O(C1C(O)C(O)C(OC1OC2=CC=C(C=C2)C=3OC4=CC(OC5OC(C(O)C(O)C5O)C(O)=O)=CC(O)=C4C(=O)C3)C(O)=O)C6OC(C(O)C(O)C6OC(=O)/C=C/C7=CC=C(O)C=C7)C(O)=O is Apigenin 4'-[p-coumaroyl-(->2)-glucuronyl-(1->2)-glucuronide] 7-glucuronide. It is also related to or classified as glucosiduronic acid , flavonoids .
The molecule Cc1ccccc1N=C=O Cc1ccccc1N=C=O is an isocyanate comprising a benzene core with isocyanato- and methyl substituents ortho to each other. It has the role of hapten . It is also related to or classified as toluenes , isocyanates .
The molecule O1[C@@H]([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)COC(=O)CC(O)=O O1[C@@H]([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)COC(=O)CC(O)=O is Quercetin 3-(6''-malonylgalactoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)C(O)=O)OCCN)O)O)O [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)C(O)=O)OCCN)O)O)O is A beta-D-glucoside that is the 2-aminoethyl glycoside of a trisaccharide consisting of beta-D-glucuronosyl, beta-D-glucosyl and beta-D-glucuronosyl residues linked sequentially (1->4) and (1->3). It is also related to or classified as beta-D-glucoside  . It is also related to or classified as trisaccharide derivative .
The molecule O1[C@]2(O[C@@H]3[C@@H]4[C@@H](O)N=C(N[C@@]4([C@@H]2O)C([C@H]1[C@]3(O)CO)O)N)O O1[C@]2(O[C@@H]3[C@@H]4[C@@H](O)N=C(N[C@@]4([C@@H]2O)C([C@H]1[C@]3(O)CO)O)N)O is (+/-)-tetrodotoxin. Its functional parent is tetrodotoxin . It is also related to or classified as quinazoline alkaloid .
The molecule N(c1ccccc1)c1ccccc1 N(c1ccccc1)c1ccccc1 is an aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union. It has the role of ferroptosis inhibitor . It has the role of antioxidant . It has the role of radical scavenger . It has the role of carotogenesis inhibitor . It has the role of EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor . It has the role of antifungal agrochemical . It is also related to or classified as aromatic amine , secondary amino compound , bridged diphenyl fungicide .
The molecule C=1C(NC=2C=CC(NC(=S)N3CCN(CC3)C)=CC2)=CC=C([N+](=O)[O-])C1 C=1C(NC=2C=CC(NC(=S)N3CCN(CC3)C)=CC2)=CC=C([N+](=O)[O-])C1 is A thiourea resulting from the formal condensation of the secondary amino group of 1-methylpiperazine and the primary amino group of N-(4-nitrophenyl)benzene-1,4-diamine with carbonothioic O,O-acid. It has the role of antinematodal drug . Its functional parent is diphenylamine . It is also related to or classified as C-nitro compound , N-methylpiperazine , secondary amino compound , thioureas .
The molecule [O-]C(=O)C#CC([O-])=O [O-]C(=O)C#CC([O-])=O is A dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of acetylenedicarboxylic acid. It is also related to or classified as C4-dicarboxylate  . It is also related to or classified as dicarboxylic acid dianion  .
The molecule C(\CCCCCCCC(=O)N[C@H](C([O-])=O)CO)=C\CCCCCCCC C(\CCCCCCCC(=O)N[C@H](C([O-])=O)CO)=C\CCCCCCCC is an N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-serine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid anion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H](O)[C@@H]7S[C@@]5(C4=O)C[C@H]6C7=O)C[C@H]3C(C2)=O S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H](O)[C@@H]7S[C@@]5(C4=O)C[C@H]6C7=O)C[C@H]3C(C2)=O is Epicoccin B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H][C@]12NC3=C(N[C@@]1([H])C1=C(S[Mo-](O)(=O)(=S)S1)[C@@H](COP([O-])([O-])=O)O2)C(=O)NC(N)=N3 [H][C@]12NC3=C(N[C@@]1([H])C1=C(S[Mo-](O)(=O)(=S)S1)[C@@H](COP([O-])([O-])=O)O2)C(=O)NC(N)=N3 is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor; major species at pH 7.3. It is a conjugate acid of Mo(VI)(=O)(=S)(OH)-molybdopterin cofactor(4-) . It is also related to or classified as organophosphate oxoanion .
The molecule [H]O[Sb](=O)(O[H])O[H] [H]O[Sb](=O)(O[H])O[H] is antimonic acid. It is a conjugate acid of antimonate(1-) . It is also related to or classified as antimony oxoacid .
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)C(O)=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)OCCCCCN [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)C(O)=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)OCCCCCN is A beta-D-glucoside that is the 5-aminopentyl glycoside of a trisaccharide consisting of beta-D-glucosyl, beta-D-glucuronosyl and beta-D-glucosyl residues linked sequentially (1->3) and (1->4). It is also related to or classified as beta-D-glucoside  . It is also related to or classified as trisaccharide derivative .
The molecule O=C1O[C@](CC(=O)OC2=CC(O)=CC(=C2)C)(C)C=C1O O=C1O[C@](CC(=O)OC2=CC(O)=CC(=C2)C)(C)C=C1O is Penicilactone B. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule S1CC(=O)C(S)=C1C S1CC(=O)C(S)=C1C is 5-Methyl-4-sulfanyl-2,3-dihydrothiophen-3-one. It is also related to or classified as organic sulfide  . It is also related to or classified as enone  .
The molecule O1C([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C O1C([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C is Myricetin 3-robinobioside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
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)C(O)=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)OCCN [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)C(O)=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)OCCN is A beta-D-glucoside that is the 2-aminoethyl glycoside of a trisaccharide consisting of beta-D-glucosyl, beta-D-glucuronosyl and beta-D-glucosyl residues linked sequentially (1->3) and (1->4). It is also related to or classified as beta-D-glucoside  . It is also related to or classified as trisaccharide derivative .
The molecule O=C1[C@]2([C@@](OCC1)(C=CC=3[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C3)C)C)C O=C1[C@]2([C@@](OCC1)(C=CC=3[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C3)C)C)C is Peniciversiol C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC(C([O-])=O)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 CC(C([O-])=O)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 is pentaanion of methylmalonyl-CoA arising from deprotonation of carboxy, phosphate and diphosphate OH groups; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion .
The molecule O(C(COP(=O)(O)O)COC(=O)CCCCCCCC=CCCCCCCCC)C(=O)CCCCCCCC=CCCCCCCCC O(C(COP(=O)(O)O)COC(=O)CCCCCCCC=CCCCCCCCC)C(=O)CCCCCCCC=CCCCCCCCC is A phosphatidic acid (36:2) in which both acyl groups are specified as octadec-9-enoyl. It has the role of mouse metabolite . It has the role of rat metabolite . It is also related to or classified as phosphatidic acid 36:2  .
The molecule [O-][Sb]([O-])([O-])=O [O-][Sb]([O-])([O-])=O is A trivalent inorganic anion obtained by removal of all three protons from antimonic acid. It is also related to or classified as antimony oxoanion , trivalent inorganic anion .
The molecule O=C1[C@]2([C@@](OCC1)(C=CC=3[C@@H]2[C@@H](O)C[C@@H](C3)CO)C)C O=C1[C@]2([C@@](OCC1)(C=CC=3[C@@H]2[C@@H](O)C[C@@H](C3)CO)C)C is Peniciversiol B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2O)C4=CC=CC=C4)C O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2O)C4=CC=CC=C4)C is Baicalein 7-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule Oc1ccc(cc1OS([O-])(=O)=O)-c1oc2cc([O-])cc(O)c2c(=O)c1OS([O-])(=O)=O Oc1ccc(cc1OS([O-])(=O)=O)-c1oc2cc([O-])cc(O)c2c(=O)c1OS([O-])(=O)=O is A flavonoid oxoanion arising from deprotonation of the sulfo and 7-hydroxy groups of quercetin 3,3'-bissulfate; major species at pH 7.3. It is also related to or classified as aryl sulfate oxoanion  . It is also related to or classified as flavonoid oxoanion .
The molecule [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CS)O)O)O)O [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CS)O)O)O)O is A thiosugar that is beta-D-galactopyranose in which the hydroxy group at position 6 is replaced by a sulfanyl group. It is also related to or classified as thiol  . It is also related to or classified as monosaccharide derivative , thiosugar .
The molecule O=C1[C@H](OC(=O)C)[C@H](C(C)C)[C@@]2([C@H]1[C@H]3OCC4=C3[C@](CC[C@@H]4OC(=O)C)(C)CC2)C O=C1[C@H](OC(=O)C)[C@H](C(C)C)[C@@]2([C@H]1[C@H]3OCC4=C3[C@](CC[C@@H]4OC(=O)C)(C)CC2)C is Heptemerone B. It is also related to or classified as ketone  . It is also related to or classified as carboxylic ester  .
The molecule O=C1C(C(C=2NC(=C(C21)C)CC=3NC(=C(C3CCO)C)C=O)C=4NC(=C(C4CCC(O)=O)C)CC5NC(=O)C(=C5C)C=C)C(O)=O O=C1C(C(C=2NC(=C(C21)C)CC=3NC(=C(C3CCO)C)C=O)C=4NC(=C(C4CCC(O)=O)C)CC5NC(=O)C(=C5C)C=C)C(O)=O is Brassica napus non-fluorescent chlorophyll catabolite 3. It is also related to or classified as tetrapyrrole  .
The molecule [H][C@@]12N(C)CC[C@@]1(c1ccccc1N2C)[C@]12CCN(C)[C@@]1([H])N(C)c1ccccc21 [H][C@@]12N(C)CC[C@@]1(c1ccccc1N2C)[C@]12CCN(C)[C@@]1([H])N(C)c1ccccc21 is (+)-folicanthine. Its functional parent is (+)-chimonanthine . It is also related to or classified as folicanthine  .
The molecule CCCCCC(O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O CCCCCC(O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O is A HETE that is (5Z,8Z,11Z,13E)-15-hydroxyicosa-5,8,11,13-tetraenoic acid bearing a hydroxy substituent at position 15. It has the role of mouse metabolite . Its functional parent is icosa-5,8,11,13-tetraenoic acid . It is a conjugate acid of (5Z,8Z,11Z,13E)-15-HETE(1-) . It is also related to or classified as HETE .
The molecule ClC1=C2C3=C4C=5[C@@H](OC([C@@H]6[C@]3(O)[C@H](C6)C(C2)=C)(C)C)O[C@@]7([C@](C5NC4=C1)([C@@]8(C([C@@]9%10O[C@@H]9[C@@H](O)[C@H](OC%10CC8)C(=C)C)CC7)C)C)OC ClC1=C2C3=C4C=5[C@@H](OC([C@@H]6[C@]3(O)[C@H](C6)C(C2)=C)(C)C)O[C@@]7([C@](C5NC4=C1)([C@@]8(C([C@@]9%10O[C@@H]9[C@@H](O)[C@H](OC%10CC8)C(=C)C)CC7)C)C)OC is Rhizovarin B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C(NC1=NC=C(Cl)C=C1)CSC2=NN=C3C(NC4=C3C=CC=C4)=N2 O=C(NC1=NC=C(Cl)C=C1)CSC2=NN=C3C(NC4=C3C=CC=C4)=N2 is dCeMM2 (Compound 2) is a glue degrader. dCeMM2 induces ubiquitination and degradation of cyclin K by prompting an interaction of CDK12-cyclin K with a CRL4B ligase complex[1]. It is also related to or classified as organic molecular entity .
The molecule O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CS)O)O)O)C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CS)O)O)O)C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O is A glycophytoceramide having a 6-thio-alpha-D-galactopyranosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. Its functional parent is 6-thio-beta-D-galactose . It is also related to or classified as glycophytoceramide .
The molecule O=C1C=CO[C@@]2([C@]1([C@@H]3C(=C[C@@H](CO)C[C@@H]3O)C=C2)C)C O=C1C=CO[C@@]2([C@]1([C@@H]3C(=C[C@@H](CO)C[C@@H]3O)C=C2)C)C is Peniciversiol A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(1->4)-linkage. It has the role of sweetening agent . It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as maltooligosaccharide , glycosylglucose .
The molecule O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(O)C=3OC(=CC(=O)C3C(O)=C2)C4=CC(O)=C(OC)C=C4)COC(=O)C)[C@@H]5OC([C@@H](O)[C@H](O)C5O)COC(=O)C O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(O)C=3OC(=CC(=O)C3C(O)=C2)C4=CC(O)=C(OC)C=C4)COC(=O)C)[C@@H]5OC([C@@H](O)[C@H](O)C5O)COC(=O)C is 8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)(6''-acetylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule N#CC1=CC=CC=C1C#N N#CC1=CC=CC=C1C#N is A dinitrile that is benzene which is substituted by cyano groups at positions 1 and 2.  It is also related to or classified as dinitrile  . It is also related to or classified as benzenes .
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)C(O)=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(O)=O)O)O)O)O)O)O)O)O)OCCN [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)C(O)=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(O)=O)O)O)O)O)O)O)O)O)OCCN is A beta-D-glucoside that is the 2-aminoethyl glycoside of a tetrasaccharide, a synthetic dimer of cellobiuronic acid in which the two beta-D-glucuronosyl-(1->4)-beta-D-glucosyl disaccharide units are linked (1->3). It is also related to or classified as beta-D-glucoside  . It is also related to or classified as tetrasaccharide derivative .
The molecule O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O is A quercetin O-glucoside that is  quercetin attached to a 6-O-malonyl-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as tetrahydroxyflavone  . It is also related to or classified as malonate ester , monosaccharide derivative , quercetin O-glucoside .