anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COc1cc(ccc1O)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1OC COc1cc(ccc1O)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1OC is A tetramethoxyflavone that is  the 3,6,7,3'-tetramethyl ether derivative of quercetagetin. It has the role of antiviral agent . It has the role of plant metabolite . Its functional parent is quercetagetin . It is also related to or classified as dihydroxyflavone , tetramethoxyflavone .
The molecule C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O is a glycosyloxyflavone that is myricetin with a beta-L-galactosyl residue attached at position 3. It has a role as a metabolite. It is a beta-L-galactoside, a monosaccharide derivative, a pentahydroxyflavone and a glycosyloxyflavone. It derives from a beta-L-galactose and a myricetin.
The molecule CC(C)OC1=C(OC(=O)NCCCCCC(O)=O)C=CC=C1 CC(C)OC1=C(OC(=O)NCCCCCC(O)=O)C=CC=C1 is PRNH. It has the role of hapten . It is also related to or classified as carbamate ester , monocarboxylic acid , aromatic ether .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)([O-])OP(=O)([O-])O[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[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is an organophosphate oxoanion that is the trianion of beta-D-Man-(1->4)-beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol arising from deprotonation of both free diphosphate OH groups and the carboxy group of the glucuronic acid residue; major species at pH 7.3. It is a conjugate base of a beta-D-Man-(1->4)-beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol.
The molecule [NH3+]CCCCNO [NH3+]CCCCNO is cation of N-hydroxyputrescine arising from protonation of the terminal amino groups; major microspecies at pH 7.3. Its functional parent is 1,4-butanediammonium . It is a conjugate acid of N-hydroxyputrescine . It is also related to or classified as N-substituted putrescine .
The molecule CC(C)C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)O is a fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (R)-2-hydroxy-4-methylpentanoyl-CoA; major species at pH 7.3. It is a conjugate base of a (R)-2-hydroxy-4-methylpentanoyl-CoA.
The molecule [C@H]([C@@H](/C=C/CCCCCCCC/C=C\CCC)O)(NC(CCCCCCCCCCCCCCCCCCCCC)=O)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO [C@H]([C@@H](/C=C/CCCCCCCC/C=C\CCC)O)(NC(CCCCCCCCCCCCCCCCCCCCC)=O)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO is A galactosylceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of beta-D-galactosyl-(1<->1')-(4E,14Z)-sphingadienine. It has the role of marine metabolite . Its functional parent is docosanoic acid . Its functional parent is sphinga-4E,14Z-dienine . It is also related to or classified as galactosylceramide  .
The molecule CC(C)OC1=C(OC(=O)NCCC(O)=O)C=CC=C1 CC(C)OC1=C(OC(=O)NCCC(O)=O)C=CC=C1 is PRNP. It has the role of hapten . It is also related to or classified as beta-alanine derivative , carbamate ester , monocarboxylic acid , aromatic ether .
The molecule CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)OP(=O)([O-])[O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)[C@H](CO)O)O)O)O)O)OP(=O)([O-])[O-])O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O)O)O)O)O)O)O)O[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C(=O)[O-])C(=O)[O-])OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC is a lipid A oxoanion obtained via deprotonation of the carboxy, phosphate and diphosphate OH groups of lipid A-core 1-diphosphate. It is a conjugate base of a lipid A-core 1-diphosphate.
The molecule N=C=[Te] N=C=[Te] is isotellurocyanic acid. It is a conjugate acid of tellurocyanate . It is also related to or classified as hydracid  .
The molecule [TeH]C#N [TeH]C#N is tellurocyanic acid. It is a conjugate acid of tellurocyanate . It is also related to or classified as hydracid  . It is also related to or classified as one-carbon compound .
The molecule C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C=C4)(C)CCC(=O)NC5=C(C=CC(=C5O)C(=O)O)O[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)CO)O)O)O)O2 is a monosaccharide derivative of platensimycin isolated from Streptomyces platensis. It has a role as a bacterial metabolite. It is a cyclic ether, a cyclic ketone, a polycyclic cage, a member of phenols, a monosaccharide derivative, a monocarboxylic acid, an aromatic amide and a monocarboxylic acid amide. It derives from a platensimycin.
The molecule CC(C)OC1=C(OC(=O)NCCCC(O)=O)C=CC=C1 CC(C)OC1=C(OC(=O)NCCCC(O)=O)C=CC=C1 is PRNB. It has the role of hapten . It is also related to or classified as carbamate ester , monocarboxylic acid , aromatic ether .
The molecule Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc3C(=O)c2c1 Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc3C(=O)c2c1 is A beta-D-glucoside in which the aglycone species is chrysophanol, the glycosidic linkage being to the hydroxy group at C-8. Its functional parent is chrysophanol . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monohydroxyanthraquinone .
The molecule CC(C)CCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)N)O is a phosphosphingolipid that is 15-methylhexadecasphing-4-enine substituted at position 1 by a phosphocholine moiety It is a member of phosphocholines, a phosphosphingolipid and an ammonium betaine. It derives from a 15-methylhexadecasphing-4-enine. It is a conjugate base of a 15-methylhexadecasphing-4-enine-1-phosphocholine(1+).
The molecule CC1(C)CC2=CC=CC(OC(=O)NCCCC(O)=O)=C2O1 CC1(C)CC2=CC=CC(OC(=O)NCCCC(O)=O)=C2O1 is BFNB. It has the role of hapten . It is also related to or classified as carbamate ester , monocarboxylic acid , 1-benzofurans .
The molecule C1=CC=C(C=C1)C(CN)O is the simplest member of the class of phenylethanolamines that is 2-aminoethanol bearing a phenyl substituent at the 1-position. The parent of the phenylethanolamine class. It has a role as a human metabolite. It is a conjugate base of a phenylethanolaminium.
The molecule CC1(C)CC2=CC=CC(OC(=O)NCCC(O)=O)=C2O1 CC1(C)CC2=CC=CC(OC(=O)NCCC(O)=O)=C2O1 is BFNP. It has the role of hapten . It is also related to or classified as beta-alanine derivative , carbamate ester , monocarboxylic acid , 1-benzofurans .
The molecule OC[C@H]1O[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O is an organophosphate oxoanion that is the dianion of beta-D-glucose 1-phosphate arising from deprotonation of both phosphate OH groups. It has the role of fundamental metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)[C@H](C)CCCC(C)C [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)[C@H](C)CCCC(C)C is the (9Z,12Z)-stereoisomer of cholesteryl octadeca-9,12-dienoate. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is linoleic acid . It is also related to or classified as CE(18:2)  . It is also related to or classified as cholesteryl octadeca-9,12-dienoate  .
The molecule C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O is a D-altropyranose in which the carbon bearing the anomeric hydroxy group has alpha configuration. It is an enantiomer of an alpha-L-altropyranose.
The molecule CSC1=C(C)C=C(OC(=O)NCCC(O)=O)C=C1C CSC1=C(C)C=C(OC(=O)NCCC(O)=O)C=C1C is MXNP. It has the role of hapten .     It is also related to or classified as methyl sulfide  . It is also related to or classified as beta-alanine derivative , carbamate ester , monocarboxylic acid , aryl sulfide .
The molecule C=1(C2=C(C=C3C1OCO3)C[C@@H]([C@@H](CC4=C2C(=C(C(=C4)OC)OC)OC)C)C)OC C=1(C2=C(C=C3C1OCO3)C[C@@H]([C@@H](CC4=C2C(=C(C(=C4)OC)OC)OC)C)C)OC is an organic heterotetracyclic compound that is found in Fructus Schisandrae and Schisandra chinensis. It has the role of antioxidant . It has the role of antilipemic drug . It has the role of hepatoprotective agent . It has the role of neuroprotective agent . It has the role of anti-asthmatic agent . It has the role of anti-inflammatory agent . It has the role of apoptosis inhibitor . It has the role of nephroprotective agent . It has the role of plant metabolite . It is also related to or classified as aromatic ether , oxacycle , organic heterotetracyclic compound , cyclic acetal .
The molecule O=C(NC1=CC=C(C=C1)CC(NC)C)CCCCCS O=C(NC1=CC=C(C=C1)CC(NC)C)CCCCCS is A secondary carboxamide resulting from the formal condensation of the carboxy group of 6-sulfanylhexanoic acid with the primary amino group of 4-[(2S)-2-(methylamino)propyl]aniline. It has the role of hapten . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as thiol  . It is also related to or classified as benzenes , secondary amino compound , aromatic amide .
The molecule CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[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@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O is a sialotriaosylceramide consisting of beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide(d18:1/16:0). It has a role as a mouse metabolite. It derives from a hexadecanoic acid.
The molecule CCCCC\C=C/C\C=C/CCCCCCCC(O)=O CCCCC\C=C/C\C=C/CCCCCCCC(O)=O is an octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. It has the role of plant metabolite . It has the role of Daphnia galeata metabolite . It has the role of algal metabolite . It is a conjugate acid of linoleate . It is also related to or classified as octadecadienoic acid , omega-6 fatty acid .
The molecule OC[C@H](O)[C@@H](O)[C@H](O)C(=O)C(O)=O OC[C@H](O)[C@@H](O)[C@H](O)C(=O)C(O)=O is 2-dehydro-L-idonic acid. Its functional parent is L-gulonic acid . Its functional parent is L-idonic acid . It is a conjugate acid of 2-dehydro-L-idonate . It is also related to or classified as ketoaldonic acid .
The molecule C(CS(O)(=O)=O)N C(CS(O)(=O)=O)N is an amino sulfonic acid that is the 2-amino derivative of ethanesulfonic acid. It is a naturally occurring amino acid derived from  methionine and cysteine metabolism. An abundant component of fish- and meat-based foods, it has been used as an oral supplement in the treatment of disorders such as cystic fibrosis and hypertension. It has the role of antioxidant . It has the role of nutrient . It has the role of radical scavenger . It has the role of glycine receptor agonist . 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 a conjugate acid of 2-aminoethanesulfonate . It is also related to or classified as amino sulfonic acid .
The molecule C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Mg+2] is a magnesium salt composed of magnesium and dibasic citrate ions in a 1:1 ratio. It has a role as a laxative and a food acidity regulator. It contains a 3-carboxy-3-hydroxypentanedioate.
The molecule CSC1=C(C)C=C(OC(=O)NCCCCCC(O)=O)C=C1C CSC1=C(C)C=C(OC(=O)NCCCCCC(O)=O)C=C1C is MXNH. It has the role of hapten .    It is also related to or classified as methyl sulfide  . It is also related to or classified as carbamate ester , monocarboxylic acid , aryl sulfide .
The molecule C1(=C(C=CC=C1)O)C(=O)[O-].C[N+](CCO)(C)C C1(=C(C=CC=C1)O)C(=O)[O-].C[N+](CCO)(C)C is Choline salicylate. Its functional parent is salicylic acid . It is also related to or classified as hydroxybenzoic acid .
The molecule CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCC/C=C\\C/C=C\\CCCCC is a galactoglycerolipid that consists of 1,2-diacyl-sn-glycerol having (7Z,10Z)-hexadecadienoyl and linoleoyl as the acyl groups and a beta-D-galactopyranosyl residue attached at position 3. It has been found in Daphnia pulex and exhibits cytotoxic activity. It has a role as an antineoplastic agent and a Daphnia pulex metabolite. It is a monosaccharide derivative and a beta-D-galactopyranosyl diglyceride.
The molecule C1=CC=C(C(=C1)/C=C\\C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O is a beta-D-glucoside consisting of cis-2-coumaric acid having a beta-D-glucosyl residue attached to the phenolic hydroxy group. It derives from a cis-2-coumaric acid. It is a conjugate acid of a 2-(beta-D-glucosyloxy)-cis-cinnamate.
The molecule O=C1NC(=C([C@@H]2[C@@H]([C@@H](C(=O)O)NC2)CC(=O)O)C=C1)C(=O)O O=C1NC(=C([C@@H]2[C@@H]([C@@H](C(=O)O)NC2)CC(=O)O)C=C1)C(=O)O is Acromelic acid B. It is also related to or classified as proline derivative , dicarboxylic acid , pyrrolidinecarboxylic acid .
The molecule CSC1=C(C)C=C(OC(=O)NCCCC(O)=O)C=C1C CSC1=C(C)C=C(OC(=O)NCCCC(O)=O)C=C1C is MXNB. It has the role of hapten .    It is also related to or classified as methyl sulfide  . It is also related to or classified as carbamate ester , monocarboxylic acid , aryl sulfide .
The molecule OC(=O)[C@H]1CCC=N1 OC(=O)[C@H]1CCC=N1 is A 1-pyrroline-5-carboxylic acid in which the chiral centre has R configuration. It is a conjugate acid of (R)-1-pyrroline-5-carboxylate . It is also related to or classified as 1-pyrroline-5-carboxylic acid  .
The molecule CS(=O)(=O)C1=CC(=C(C=C1)C(=C2C(=O)[C@@H]3CC[C@@H](C3)C2=O)O)Cl is a 3-[2-chloro-4-(methylsulfonyl)benzoyl]-4-hydroxybicyclo[3.2.1]oct-3-en-2-one that has (1R,5S) configuration. The herbicide benzobicyclon hydrolysate is a racemate consisting of equimolar amounts of this compound and its enantiomer. It is an enantiomer of a (1S,5R)-benzobicyclon hydrolysate.
The molecule O=P(OCC[N+](C)(C)C)(OC[C@H](N)[C@@H](CCCCCCCCCCCCCCC)O)[O-] O=P(OCC[N+](C)(C)C)(OC[C@H](N)[C@@H](CCCCCCCCCCCCCCC)O)[O-] is A phosphosphingolipid consisting of sphinganine having a phosphocholine group attached to its primary hydroxyl group. It has the role of marine metabolite . Its functional parent is sphinganine . It is also related to or classified as ammonium betaine , phosphosphingolipid , phosphocholines .
The molecule NNC(=O)C1=CC=C(O)C=C1 NNC(=O)C1=CC=C(O)C=C1 is A carbohydrazide obtained by formal condensation of the carboxy group of 4-hydroxybenzoic acid with hydrazine. Its functional parent is 4-hydroxybenzoic acid . It is also related to or classified as phenols  . It is also related to or classified as carbohydrazide  .
The molecule O(C[C@H](COP([O-])(=O)OC[C@H](COC(CCCCCCCCCCCCC)=O)O)O)C(CCCCCCCCCCCCC)=O O(C[C@H](COP([O-])(=O)OC[C@H](COC(CCCCCCCCCCCCC)=O)O)O)C(CCCCCCCCCCCCC)=O is 1-myristoyl-sn-glycero-3-phospho-(3'-myristoyl-1'-sn-glycerol)(1-). Its functional parent is tetradecanoate . It is also related to or classified as (R,S)-2,2'-lysobisphophatidate(1-)  .
The molecule C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O is a hydroxy monocarboxylic acid anion that is the conjugate base of 3-(3,4-dihydroxyphenyl)lactic acid; major species at pH 7.3. It is a conjugate base of a 3-(3,4-dihydroxyphenyl)lactic acid.
The molecule Cc1cc(O)c2C(=O)c3c(O)cccc3Cc2c1 Cc1cc(O)c2C(=O)c3c(O)cccc3Cc2c1 is chrysophanol-9-anthrone. Its functional parent is anthralin . It is also related to or classified as anthracenes .
The molecule OC1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O OC1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O is the pyranose form of D-mannonic acid. It is also related to or classified as D-mannonic acid  .
The molecule CCOC(=O)CCN(CC1=CC=CC=C1)SN(C)C(=O)O/N=C(/C)\\SC is a carbamate ester and an ethyl ester. It has a role as a carbamate insecticide, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical and a nematicide.
The molecule CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO is A 2-aminooctadecane-1,3-diol having (2S,3R)-configuration. It has the role of EC 2.7.11.13 (protein kinase C) inhibitor . It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as 2-aminooctadecane-1,3-diol  .
The molecule CC(C)C1CCC2(C1)C(C)CCCC2C CC(C)C1CCC2(C1)C(C)CCCC2C is vetispirane.  It is also related to or classified as sesquiterpene  . It is also related to or classified as spiro compound , terpenoid fundamental parent .
The molecule C1CC(=N)N(C1)CC2=C(C(=O)NC(=O)N2)Cl.Cl is a hydrochloride obtained by combining tipiracil with one equivalent of hydrochloric acid. Used in combination with trifluridine, a nucleoside metabolic inhibitor, for treatment of advanced/relapsed unresectable colorectal cancer. It has a role as an antineoplastic agent and an EC 2.4.2.4 (thymidine phosphorylase) inhibitor. It is a hydrochloride and an iminium salt. It contains a tipiracil(1+).
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CCCC(C)(C)[C@]5([H])CC[C@@]34C)[C@@]1(C)CC[C@@H]2C(C)C [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CCCC(C)(C)[C@]5([H])CC[C@@]34C)[C@@]1(C)CC[C@@H]2C(C)C is hopane. It is also related to or classified as triterpene  . It is also related to or classified as terpenoid fundamental parent .
The molecule [O-]C(=O)CCCc1ccccc1 [O-]C(=O)CCCc1ccccc1 is A carboxylic acid anion obtained by the removal of proton from the carboxy group of  4-phenylbutyric acid. It is also related to or classified as carboxylic acid anion  .
The molecule CCCCCCCCC(O)CCCO CCCCCCCCC(O)CCCO is A medium-chain primary fatty alcohol that is dodecane carrying hydroxy groups at positions 1 and 4. It is also related to or classified as medium-chain primary fatty alcohol  . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as dodecanediol  .
The molecule Cc1c(CC(CO)CO)[nH]c(=O)[nH]c1=O Cc1c(CC(CO)CO)[nH]c(=O)[nH]c1=O is A pyrimidone that is thymine in which the hydrogen at position 6 is substituted by a 1,3-dihydroxyisobutyl group. Its functional parent is thymine . It is also related to or classified as pyrimidone .
The molecule C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C is a p-menthan-3-ol which has (1R,2S,5R)-stereochemistry. It is the most common naturally occurring enantiomer. It has a role as an antipruritic drug, an antitussive and an antispasmodic drug. It is an enantiomer of a (+)-menthol.
The molecule CCCCCCCCCC(O)CCO CCCCCCCCCC(O)CCO is A medium-chain primary fatty alcohol that is dodecane carrying hydroxy groups at positions 1 and 3. It is also related to or classified as medium-chain primary fatty alcohol  . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as dodecanediol  .
The molecule Nc1ccccc1 Nc1ccccc1 is A primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens.  It is also related to or classified as primary arylamine  . It is also related to or classified as anilines .
The molecule C1=C(OC(=C1)C(=O)OCCO)C(=O)[O-] is an ionic polymer resulting from the deprotonation of the terminal carboxy groups of poly(2,5-ethylene furandicarboxylate) polymer. The structure of the conjugated acid CHEBI:55310 is not following the current format It is a conjugate base of a poly(2,5-ethylene furandicarboxylate).
The molecule CC(=O)NC=C(C(CO)C([O-])=O)C([O-])=O CC(=O)NC=C(C(CO)C([O-])=O)C([O-])=O is A dicarboxylic acid dianion obtained by removal of a proton from both of the carboxylic acid groups of 3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid. Its functional parent is succinate(2-) . It is also related to or classified as dicarboxylic acid dianion  .
The molecule OC(=O)C1=CC2=CC(O)=C(O)C=C2C(=N1)C(=O)C1=CC=C(O)C(O)=C1 OC(=O)C1=CC2=CC(O)=C(O)C=C2C(=N1)C(=O)C1=CC=C(O)C(O)=C1 is an isoquinoline substituted by 3,4-dihydroxybenzoyl, carboxy, hydroxy, and hydroxy groups at positions 1, 3, 6, and 7, respectively. It is a potent inhibitor of insulin-like growth factor-1 binding protein (IGFBP). It has the role of insulin-like growth factor-binding protein inhibitor . It is also related to or classified as isoquinolines , benzenediols , tetrol , hydroxy monocarboxylic acid , aromatic ketone .
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)C[C@](C)(O)C([O-])=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)C[C@](C)(O)C([O-])=O is pentaanion of (3S)-citramalyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions. It has the role of human metabolite . It is also related to or classified as citramalyl-CoA(5-)  .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@H]2[C@@H](CO[C@H]([C@@H]2O[C@H]3[C@@H]([C@@](CO3)(C)CO)O)O[C@@H]4[C@@H]([C@H]([C@@H](O[C@H]4O[C@@H]5[C@H]([C@H](CO[C@H]5OC(=O)[C@@]67CC[C@@]8(C(=CC[C@H]9[C@]8(C[C@H]([C@@H]1[C@@]9(C[C@@H]([C@@H]([C@@]1(C)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O)C)O)C)[C@@H]6CC(CC7)(C)C)C)O)O)C)O)O)O)O)O)O is a triterpenoid saponin that consists of protobassic acid as the aglycone moiety. Isolated from the barks of Madhuca indica, it exhibits radical scavenging activity. It has a role as a radical scavenger and a plant metabolite. It is a carboxylic ester, a pentacyclic triterpenoid and a triterpenoid saponin. It derives from a protobassic acid.
The molecule C1=CC(=CC=C1CC(=O)NCC(=O)O)O is phenylacetylglycine hydroxylated at the phenyl C-4 position. It has a role as a mouse metabolite. It is a monocarboxylic acid amide, a monocarboxylic acid and a N-acylglycine. It derives from a phenylacetylglycine.
The molecule CCCCCCCC(O)CCCCO CCCCCCCC(O)CCCCO is A medium-chain primary fatty alcohol that is dodecane carrying hydroxy groups at positions 1 and 5. It is also related to or classified as medium-chain primary fatty alcohol  . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as dodecanediol  .
The molecule I[I+] I[I+] is diiodine(.1+). It is also related to or classified as inorganic radical cation , diatomic iodine .
The molecule [H][C@]1(CCNC[C@H]1COc1ccc2OCOc2c1)c1ccc(F)cc1 [H][C@]1(CCNC[C@H]1COc1ccc2OCOc2c1)c1ccc(F)cc1 is A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo. It has the role of antidepressant . It has the role of anxiolytic drug . It has the role of P450 inhibitor . It has the role of hepatotoxic agent . It has the role of serotonin uptake inhibitor .    It is also related to or classified as monofluorobenzenes  . It is also related to or classified as piperidines , aromatic ether , benzodioxoles .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@H](CO)O)O)CO)O)O is an amino disaccharide consisting of N-acetyl-D-glucosamine attached to D-ribitol via a beta-(1->4)-linkage; epitope of Staphylococcus aureus. It has a role as an epitope.