anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=O)N[13C@@H]([13CH2][13C](O)=O)[13C](O)=O CC(=O)N[13C@@H]([13CH2][13C](O)=O)[13C](O)=O is A (13)C-modified compound that is N-acetyl-L-aspartic acid in which the carbon atoms at postions 1, 2, 3 and 4 are present as their (13)C isotopes. Used in biological studies for metabolic alterations associated with schizophrenia.  It is also related to or classified as N-acetyl-L-aspartic acid  . It is also related to or classified as (13)C-modified compound .
The molecule CCCCC\C=C/CCCCCCCC(O)=O CCCCC\C=C/CCCCCCCC(O)=O is A 9-pentadecenoic acid in which the double bond adopts cis-configuration. It is a conjugate acid of (9Z)-pentadecenoate . It is also related to or classified as 9-pentadecenoic acid  .
The molecule C(\CC)=C\C/C=C\C/C=C\CC1C(C/C=C\CCCC(=O)O)O1 C(\CC)=C\C/C=C\C/C=C\CC1C(C/C=C\CCCC(=O)O)O1 is an EpETE obtained by formal epoxidation of the 8,9-double bond of all-cis-5,8,11,14,17-icosapentaenoic acid. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid . It is a conjugate acid of (5Z,11Z,14Z,17Z)-8,9-epoxyicosatetraenoate . It is also related to or classified as EpETE .
The molecule C[C@H](CCCCCCCCCCCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of ascr#32. It is also related to or classified as organic molecular entity .
The molecule C(\CC)=C\C/C=C\C/C=C\CC1C(C/C=C\CCCC(=O)[O-])O1 C(\CC)=C\C/C=C\C/C=C\CC1C(C/C=C\CCCC(=O)[O-])O1 is an EpETE(1-) that is the conjugate base of (5Z,11Z,14Z,17Z)-8,9-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoate . It is also related to or classified as EpETE(1-) .
The molecule C[C@H](CCCCCCCCCCCCC/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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCC/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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of ascr#31-CoA. It is also related to or classified as organic molecular entity .
The molecule CCCCCCCCC(=O)C([O-])=O CCCCCCCCC(=O)C([O-])=O is A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxodecanoic acid arising from the deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is decanoate . It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule C=1C=CC=C2NC(=C(C12)CC(=O)[O-])O C=1C=CC=C2NC(=C(C12)CC(=O)[O-])O is an indol-3-yl carboxylic acid anion resulting from the deprotonation of the carboxy group of 2-hydroxy-(indol-3-yl)acetic acid. This is a very minor tautomer; the major tautomer is the corresponding oxindole. It is also related to or classified as indol-3-yl carboxylic acid anion .
The molecule CCCCCC(O)CCCCCCCC(O)=O CCCCCC(O)CCCCCCCC(O)=O is A hydroxy fatty acid that is myristic acid carrying a single hydroxy substituent at position 9. Its functional parent is tetradecanoic acid . It is a conjugate acid of 9-hydroxymyristate . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy fatty acid .
The molecule C[C@H](CCCCCCCCCCCCC/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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCC/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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of ascr#31. It is also related to or classified as organic molecular entity .
The molecule CC[As+](CC)(CC)CC CC[As+](CC)(CC)CC is an arsonium ion consisting of four ethyl groups attached to a central arsonium. It is also related to or classified as arsonium ion .
The molecule C1C[NH2+][Pt-]2([NH2+]1)[I][Pt-]1([NH2+]CC[NH2+]1)[I]2 C1C[NH2+][Pt-]2([NH2+]1)[I][Pt-]1([NH2+]CC[NH2+]1)[I]2 is A platinum coordination entity consisting of two units of ethane-1,2-diamine co-ordinated via its amino groups to di-mu-iododiplatinum. It is also related to or classified as platinum coordination entity .
The molecule C1(=CNC2=C1C=CC=C2)CC(C(=O)O)=N C1(=CNC2=C1C=CC=C2)CC(C(=O)O)=N is A dehydroamino acid that is tryptophan in which the amino group has been oxidised to the corresponding imine. It has the role of bacterial metabolite . It is a conjugate acid of 2-imino-3-(indol-3-yl)propanoate .    It is also related to or classified as ketimine  . It is also related to or classified as dehydroamino acid , indoles , tryptophan derivative .
The molecule C[C@H](CCCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,17R)-17-hydroxyoctadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (2E,17R)-17-hydroxyoctadec-2-enoic acid . It is a conjugate acid of ascr#31(1-) . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .
The molecule O=C1N/C(/C(=O)NC1CC=2C=3C(NC2)=CC=CC3)=C/C=4NC=NC4 O=C1N/C(/C(=O)NC1CC=2C=3C(NC2)=CC=CC3)=C/C=4NC=NC4 is Dehydrohistidyltryptophyldiketopiperazine. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1(=CNC2=C1C=CC=C2)C/C(=N\O)/S C1(=CNC2=C1C=CC=C2)C/C(=N\O)/S is A thiohydroximic acid in which the C-substituent is specified as (3-indolyl)methyl (the E-geoisomer). It is a conjugate acid of (E)-2-(indol-3-yl)-1-thioacetohydroximate .  It is also related to or classified as thiohydroximic acid  . It is also related to or classified as indoles .
The molecule Oc1cccc(c1)-c1cc(Cl)c(Cl)c(Cl)c1Cl Oc1cccc(c1)-c1cc(Cl)c(Cl)c(Cl)c1Cl is an organochlorine compound formed formally by chlorination of biphenyl-3-ol at C-2', -3', -4' and -5'. Its functional parent is biphenyl-3-ol . It is also related to or classified as hydroxybiphenyls  . It is also related to or classified as tetrachlorobenzene  .
The molecule C[C@H](CCCCCCCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of ascr#31. It is also related to or classified as organic molecular entity .
The molecule O1[C@]23[C@@]4(O)[C@@]([C@@]5([C@@](CC4)(CC6=C5NC7=C6C=8C[C@@]9([C@](C(OC9(C)C)(C)C)(C(=O)C8C=C7)[H])[H])[H])C)(CC[C@@]3(O[C@@H]([C@@H](O)[C@@]12[H])C(C)=C)[H])C O1[C@]23[C@@]4(O)[C@@]([C@@]5([C@@](CC4)(CC6=C5NC7=C6C=8C[C@@]9([C@](C(OC9(C)C)(C)C)(C(=O)C8C=C7)[H])[H])[H])C)(CC[C@@]3(O[C@@H]([C@@H](O)[C@@]12[H])C(C)=C)[H])C is Lolitrem K. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCCC(O)CCCCCCC(O)=O CCCCC(O)CCCCCCC(O)=O is A hydroxy fatty acid comprising lauric acid carrying a single hydroxy substituent at position 8. Its functional parent is dodecanoic acid . It is a conjugate acid of 8-hydroxylaurate .  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as hydroxy fatty acid .
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO is an amino tetrasaccharide comprising alpha-N-acetylneuraminyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl and alpha-D-mannose residues linked sequentially (2->3), (1->3) and (1->2). It is also related to or classified as glucosamine oligosaccharide , amino tetrasaccharide .
The molecule C1(=CNC2=C1C=CC=C2)C/C(=N\O)/[S-] C1(=CNC2=C1C=CC=C2)C/C(=N\O)/[S-] is an organic sulfur anion obtained by deprotonation of the sulfanyl group of (E)-2-(indol-3-yl)-1-thioacetohydroximic acid; major species at pH 7.3. It is also related to or classified as organic sulfur anion .
The molecule C[C@H](CCCCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of ascr#30-CoA. It is also related to or classified as organic molecular entity .
The molecule O=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2C(C3=C[C@H](OC)[C@H]4[C@]5([C@]([C@@H]([C@@H](CCC=C(C)C)C)[C@H](C5)O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)COC(=O)C)(C)CC[C@]4([C@@H]3CC2)C)C)(C)C)OC1)C O=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2C(C3=C[C@H](OC)[C@H]4[C@]5([C@]([C@@H]([C@@H](CCC=C(C)C)C)[C@H](C5)O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)COC(=O)C)(C)CC[C@]4([C@@H]3CC2)C)C)(C)C)OC1)C is Hebevinoside V.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule C1([C@]2(N(C([C@@H](N1)CCCNC(N)=[NH2+])=O)CCC2)[H])=O C1([C@]2(N(C([C@@H](N1)CCCNC(N)=[NH2+])=O)CCC2)[H])=O is major microspecies at pH 7.3.    It is also related to or classified as dipeptide  .  It is also related to or classified as guanidinium ion  . It is also related to or classified as homodetic cyclic peptide , imidazoles , alpha-amino-acid cation , pyrrolopyrazine .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@H]4O)CO)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@H]5O)CO)O)O)O)O)O [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@H]4O)CO)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@H]5O)CO)O)O)O)O)O is A glucopentaose consisting of five beta-D-glucosyl residues linked in a linear sequence. It has the role of epitope . It is also related to or classified as glucopentaose .
The molecule ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl is an  organochlorine compound with insecticidal activity. It has the role of insecticide . It has the role of persistent organic pollutant . It is also related to or classified as organochlorine compound  . It is also related to or classified as cyclic ketone .
The molecule CCCC(O)CCCCCCCC(O)=O CCCC(O)CCCCCCCC(O)=O is A hydroxy fatty acid comprising lauric acid carrying a single hydroxy substituent at position 9. It has the role of plant metabolite . Its functional parent is dodecanoic acid . It is a conjugate acid of 9-hydroxylaurate .  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as hydroxy fatty acid .
The molecule [C@@]12(N3CC[C@H]1OC(/C(/CC(=C)[C@](C(OCC2=CC3)=O)(OC(=O)C)C)=C\C)=O)[H] [C@@]12(N3CC[C@H]1OC(/C(/CC(=C)[C@](C(OCC2=CC3)=O)(OC(=O)C)C)=C\C)=O)[H] is A pyrrolizine alkaloid that is seneciphylline in which the hydroxy hydrogen has been replaced by an acetyl group. It has the role of Jacobaea metabolite . Its functional parent is seneciphylline .   It is also related to or classified as acetate ester  . It is also related to or classified as organic heterotricyclic compound , pyrrolizine alkaloid , macrocyclic lactone , olefinic compound .
The molecule Oc1ccccc1-c1cc(Cl)ccc1Cl Oc1ccccc1-c1cc(Cl)ccc1Cl is 2',5'-Dichloro-2-biphenylol.  It is also related to or classified as dichlorobenzene  . It is also related to or classified as biphenyls .
The molecule C[C@H](CCCCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of ascr#30. It is also related to or classified as organic molecular entity .
The molecule [C@@]12([N+]3(CC[C@H]1OC(/C(/C[C@@H](C)[C@@](C(OCC2=CC3)=O)(CO)O)=C/C)=O)[O-])[H] [C@@]12([N+]3(CC[C@H]1OC(/C(/C[C@@H](C)[C@@](C(OCC2=CC3)=O)(CO)O)=C/C)=O)[O-])[H] is A pyrrolizine alkaloid that is senecionane bearing two additional hydroxy substituents at positions 12 and 18, two additional oxo groups at positions 11 and 16 and an N-oxido substituent. It has the role of Jacobaea metabolite . Its functional parent is usaramine . It is also related to or classified as tertiary amine oxide  . It is also related to or classified as primary alcohol  . It is also related to or classified as diol  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as organic heterotricyclic compound , pyrrolizine alkaloid , macrocyclic lactone , olefinic compound .
The molecule C[C@H](CCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (16R)-16-hydroxymargaric acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (16R)-16-hydroxymargaric acid . It is a conjugate acid of ascr#30(1-) . It is also related to or classified as monocarboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CC[C@@H](CCCC(C)C)C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CC[C@@H](CCCC(C)C)C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is the (R)-enantiomer of 4,8-dimethylnonanoyl-CoA. Major species at pH 7.3. It is also related to or classified as 4,8-dimethylnonanoyl-CoA(4-)  .
The molecule O(C=1C(=C(CCCCCCCCCCCCCCC)C=CC1)C(O)=O)C(=O)C O(C=1C(=C(CCCCCCCCCCCCCCC)C=CC1)C(O)=O)C(=O)C is 2-Acetoxy-6-pentadecylbenzoic acid.   It is also related to or classified as carboxylic ester  . It is also related to or classified as benzoic acids , salicylates .
The molecule CCCCCCCCCCCCCCC(=O)C([O-])=O CCCCCCCCCCCCCCC(=O)C([O-])=O is A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxohexadecanoic acid arising from the deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is hexadecanoate . It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule OC(=O)CCCCCCCC/C=C/C=1NC=C(C(=O)C1)C(=O)N OC(=O)CCCCCCCC/C=C/C=1NC=C(C(=O)C1)C(=O)N is Himeic acid D. It is also related to or classified as long-chain fatty acid  .
The molecule C[C@H](CCCCCCCCCCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of ascr#30. It is also related to or classified as organic molecular entity .
The molecule CSCC1=NC2=C(NC1=O)[C@@H](C)C1(C(=O)N(C)C3=C1C=CC=C3)C1=C2C(=O)CC1 CSCC1=NC2=C(NC1=O)[C@@H](C)C1(C(=O)N(C)C3=C1C=CC=C3)C1=C2C(=O)CC1 is an indole alkaloid with formula C22H21N3O3S. It is a natural product synthesized by an NRPS/PKS system in Streptomyces sp. B917 and exhibits antifungal properties. It has the role of bacterial metabolite .       It is also related to or classified as enone  . It is also related to or classified as methyl sulfide  . It is also related to or classified as indolones , spiro compound , organic heteropentacyclic compound , indole alkaloid , cyclic ketone , piperazinone , antibiotic antifungal agent .
The molecule [C@@]12([N+]3(CC[C@H]1OC(/C(/CC(=C)[C@@](C(OCC2=CC3)=O)(C)O)=C/C)=O)[O-])[H] [C@@]12([N+]3(CC[C@H]1OC(/C(/CC(=C)[C@@](C(OCC2=CC3)=O)(C)O)=C/C)=O)[O-])[H] is A pyrrolizine alkaloid that is 13,19-didehydrosenecionane carrying a hydroxy substituent at position 12, two oxo substituents at positions 11 and 16 and an N-oxido substituent. It has the role of Jacobaea metabolite . Its functional parent is spartioidine . It is also related to or classified as tertiary amine oxide  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as organic heterotricyclic compound , pyrrolizine alkaloid , macrocyclic lactone , olefinic compound .
The molecule C[C@H](CCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,8R)-8-hydroxynon-2-enoic acid with ascarylopyranose (the alpha anomer). It is a major component of the dauer pheromone, used by the nematode Caenorhabditis elegans as a population-density signal to promote entry into an alternate larval stage, the nonfeeding and highly persistent dauer diapause, and also synergises with ascr#2, ascr#4, and ascr#8 in male attraction. It has the role of pheromone . It has the role of Caenorhabditis elegans metabolite . Its functional parent is (2E,8R)-8-hydroxynon-2-enoic acid . It is a conjugate acid of ascr#3(1-) . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .
The molecule CN(C[C@H]1CN=C(N1O)N)C CN(C[C@H]1CN=C(N1O)N)C is biosynthetic precursor and degradation product of guanitoxin, missing the monomethyl phosphate. It is also related to or classified as organic molecular entity .
The molecule S=C=NCCc1ccccc1 S=C=NCCc1ccccc1 is an isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties. It has the role of metabolite . It has the role of EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor . It has the role of antineoplastic agent . It is also related to or classified as isothiocyanate  .
The molecule C[C@H](CCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of ascr#3. It is also related to or classified as organic molecular entity .
The molecule CCN1CCN(CC2=CC=C(C=C2)C2=CC3=C(NC(C)C4=CC=CC=C4)N=CN=C3N2)CC1 CCN1CCN(CC2=CC=C(C=C2)C2=CC3=C(NC(C)C4=CC=CC=C4)N=CN=C3N2)CC1 is A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by (1-phenylethyl)amino and 4-[(4-ethylpiperazin-1-yl)methyl]phenyl groups at positions 4 and 6, respectively. It is also related to or classified as benzenes , pyrrolopyrimidine , N-alkylpiperazine , secondary amino compound .
The molecule CN(C)\C=N\C1=C(C=NN1C1=CC(Cl)=C(F)C=C1)C#N CN(C)\C=N\C1=C(C=NN1C1=CC(Cl)=C(F)C=C1)C#N is A member of the class of pyrazoles that is 1H-pyrazole substituted by 3-chloro-4-fluorophenyl, cyano, and N,N-dimethylimidoformamidyl groups at positions 1, 4, and 5, respectively. It is a highly isoform-specific inhibitor of Drosophila Aurora B kinase. It has the role of Aurora kinase inhibitor . It is also related to or classified as nitrile  .  It is also related to or classified as formamidines  .  It is also related to or classified as monofluorobenzenes  . It is also related to or classified as pyrazoles , monochlorobenzenes .
The molecule C[C@H](CCCCCCCCCCCC/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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCC/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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of ascr#29-CoA. It is also related to or classified as organic molecular entity .
The molecule C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C is 17beta-Hydroxy-17-methylandrost-4-ene-3,11-dione. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule [AsH]=[AsH] [AsH]=[AsH] is an arsenic hydride that consists of two arsenic atoms joined by a double bond with each carrying a single hydrogen. It is also related to or classified as arsenic hydride , diarsenes .
The molecule Cc1cc(O)c2ccccc2c1O Cc1cc(O)c2ccccc2c1O is A naphthalene-1,4-diol having a methyl substituent at the 2-position. Its functional parent is naphthalene-1,4-diol .   It is also related to or classified as naphthohydroquinone  . It is also related to or classified as naphthalenediols , methylnaphthalenes .
The molecule C[C@H](CCCCCCCCCCCC/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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCC/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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of ascr#29. It is also related to or classified as organic molecular entity .
The molecule NC(CC1=CC=C(Br)C=C1)C(O)=O NC(CC1=CC=C(Br)C=C1)C(O)=O is A phenylalanine derivative that is phenylalanine substituted by a bromo group at position 4 of the phenyl ring. It is also related to or classified as phenylalanine derivative , bromobenzenes .
The molecule [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)SC(=NO)CC=2C=CC=CC2 [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)SC(=NO)CC=2C=CC=CC2 is A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxy(phenyl)ethanethioamide with beta-D-glucopyranose. It is also related to or classified as desulfoglucosinolic acid  .
The molecule C[C@H](CCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,16R)-16-hydroxyheptadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (2E,16R)-16-hydroxyheptadec-2-enoic acid . It is a conjugate acid of ascr#29(1-) . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .