anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C=1N=CC=CC1N2N=C(C(=C2)N(C(=O)CCSCCC(F)(F)F)CC)Cl C=1N=CC=CC1N2N=C(C(=C2)N(C(=O)CCSCCC(F)(F)F)CC)Cl is A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 4 by a pyridin-3-yl group, chloro group and an ethyl{3-[(3,3,3-trifluoropropyl)sulfanyl]propanoyl}nitrilo group, respectively. It is an insecticide from Dow AgroSciences LLC. It has the role of insecticide . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as organic sulfide  .   It is also related to or classified as organochlorine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrazoles , pyridines .
The molecule CCCCCCCCCCCCCCCCC(OC)=O CCCCCCCCCCCCCCCCC(OC)=O is methyl heptadecanoate. It is also related to or classified as fatty acid methyl ester  .
The molecule CC1=NNC(=NC1=O)SCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 CC1=NNC(=NC1=O)SCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 is 2-[[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O is a monomethoxyflavone that is the 3'-O-methyl derivative of myricetin. It has a role as a metabolite. It is a pentahydroxyflavone, a monomethoxyflavone, a member of 3'-methoxyflavones and a 5'-hydroxy-3'-methoxyflavone. It derives from a myricetin. It is a conjugate acid of a laricitrin(1-).
The molecule NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O is an organophosphate oxoanion resulting from the removal of the three diphosphate OH groups of  ribavirin 5'-diphosphate. It is the major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule OC(CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](C/C=C\CC)OO)=O OC(CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](C/C=C\CC)OO)=O is A (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoic acid in which the chiral centre at position 17 has S-configuration. An intermediate of specialised proresolving mediators. It has the role of human xenobiotic metabolite . Its functional parent is (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid . It is a conjugate acid of (7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosapentaenoate . It is also related to or classified as (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoic acid  .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])O is a 1-acyl-sn-glycero-3-phosphoserine(1-) that is the conjugate base of 1-stearoyl-sn-glycero-3-phosphoserine; major species at pH 7.3. It is a 1-acyl-sn-glycero-3-phosphoserine(1-) and a lysophosphatidylserine 18:0(1-). It is a conjugate base of a 1-stearoyl-sn-glycero-3-phosphoserine.
The molecule O=C1N[C@@](O)(C(=O)N[C@]1(OC)CC(C)C)CC2=CC=CC=C2 O=C1N[C@@](O)(C(=O)N[C@]1(OC)CC(C)C)CC2=CC=CC=C2 is Lepistamide A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule ClC=1C=C(C(=O)NNC(=O)C=2C=CC=NC2)C=CC1 ClC=1C=C(C(=O)NNC(=O)C=2C=CC=NC2)C=CC1 is 3-chloro-N'-(pyridin-3-ylcarbonyl)benzohydrazide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule ClC1=CN=C(N[C@H]2CC[C@H](N[C@H](C)COC)CC2)C=C1C3=CC=CC(NCC4(C#N)CCOCC4)=N3 ClC1=CN=C(N[C@H]2CC[C@H](N[C@H](C)COC)CC2)C=C1C3=CC=CC(NCC4(C#N)CCOCC4)=N3 is nVP-2 is a potent and selective ATP-competitive cyclin dependent kinase 9 (CDK9) probe. NVP-2 induces cell apoptosis. It is also related to or classified as organic molecular entity .
The molecule C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCCl is a carbamate ester that is 4-chlorobut-2-yn-1-yl ester of N-(3-chlorophenyl)carbamic acid. A herbicide, it is no longer approved for use within the European Community. It has a role as a herbicide. It is a carbamate ester, an acetylenic compound and a member of monochlorobenzenes.
The molecule OC1=CC=CC2=NC3=C(C=CC=C3N=C12)C([O-])=O OC1=CC=CC2=NC3=C(C=CC=C3N=C12)C([O-])=O is A hydroxy monocarboxylic acid anion that is the conjugate base of 6-hydroxyphenazine-1-carboxylic acid resulting from the deprotonation of the carboxy group; major microspecies at pH 7.3.  It is also related to or classified as aromatic carboxylate  . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule O1[C@H](O[C@H]2[C@H](O)[C@H](OC(O)[C@@H]2O)CO)[C@H](O)[C@@H](O[C@H]3O[C@@H]([C@H](O)[C@H]3O)CO)[C@H]1CO O1[C@H](O[C@H]2[C@H](O)[C@H](OC(O)[C@@H]2O)CO)[C@H](O)[C@@H](O[C@H]3O[C@@H]([C@H](O)[C@H]3O)CO)[C@H]1CO is A trisaccharide consisting of two alpha-D-xylofuranose residues and a D-glucopyranose residue joined in sequence by two (1->3) glycosidic bonds. It is also related to or classified as trisaccharide .
The molecule O(CC1=C(NS(=O)(=O)C(F)F)C([C@@H](C=2N=C(OC)C=C(OC)N2)O)=CC=C1)C O(CC1=C(NS(=O)(=O)C(F)F)C([C@@H](C=2N=C(OC)C=C(OC)N2)O)=CC=C1)C is A N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide that has S configuration. It is also related to or classified as N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide  .
The molecule CCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)O CCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)O is A polyunsaturated fatty acid that is octadecapentaenoic acid in which the five double bonds are located at positions 2, 4, 6, 8 and 10 (the all-trans-geoisomer). It has the role of human blood serum metabolite . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as polyunsaturated fatty acid , straight-chain fatty acid .
The molecule C1=C[C@@](OC1=O)(CC(=O)O)Cl is an optically active form of (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid having R-configuration. It has a role as a bacterial metabolite. It is a conjugate acid of a (R)-(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate.
The molecule C1=CC(=C2C(=C1O)CC(=CCC[C@@]34[C@@H]([C@@H]2OC3=O)O4)C)O C1=CC(=C2C(=C1O)CC(=CCC[C@@]34[C@@H]([C@@H]2OC3=O)O4)C)O is clavilactone A. Its functional parent is arnebinol A . It is also related to or classified as hydroquinones  .
The molecule C(C(O)=O)C/C=C\C/C=C\C\C=C/C=C/C=C/[C@H]1[C@H](C/C=C\CC)O1 C(C(O)=O)C/C=C\C/C=C\C\C=C/C=C/C=C/[C@H]1[C@H](C/C=C\CC)O1 is an epoxy fatty acid consisting of (4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid having an epoxy group located at the 16,17-position. An intermediate lipid in specialized proresolving mediators. It has the role of human xenobiotic metabolite . It is a conjugate acid of (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoate .   It is also related to or classified as long-chain fatty acid  . It is also related to or classified as docosanoid , epoxy fatty acid , polyunsaturated fatty acid .
The molecule CC1CC2=CC=CC=C2N1C(=O)CN3CCC(CC3)N4C5=C(C=C(C=C5)C(F)(F)F)N=N4 CC1CC2=CC=CC=C2N1C(=O)CN3CCC(CC3)N4C5=C(C=C(C=C5)C(F)(F)F)N=N4 is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]ethanone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O=c1[nH]ccc2nccn12 O=c1[nH]ccc2nccn12 is 3,N(4)-ethenocytosine. It has the role of mutagen . Its functional parent is cytosine . It is also related to or classified as organic heterobicyclic compound .
The molecule C(C#N)NCC#N is a secondary amino compound that is ammonia in which two of the hydrogens are substituted by cyanomethyl groups. It is a dinitrile, a secondary amino compound and an aliphatic nitrile. It derives from an acetonitrile.
The molecule CC1=CC(=C2C(=C1)O[C@@]3(C(=CC(=O)[C@H]([C@]3(C2=O)O)O)OC)C)O is a member of the class of xanthones that is 4a,9a-dihydro-1H-xanthene-2,9-dione substituted by hydroxy groups at positions 1, 8 and 9a, a methoxy group at position 4 and methyl groups at positions 4a and 6 (the 1S,4aS,9aS stereoisomer). Isolated from Microdiplodia species, it exhibits antibacterial activity. It has a role as an antibacterial agent and a fungal metabolite. It is a member of xanthones, a member of phenols, an enol ether, a secondary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone.
The molecule O(CC1=C(NS(=O)(=O)C(F)F)C([C@H](C=2N=C(OC)C=C(OC)N2)O)=CC=C1)C O(CC1=C(NS(=O)(=O)C(F)F)C([C@H](C=2N=C(OC)C=C(OC)N2)O)=CC=C1)C is A N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide that has R configuration. It is also related to or classified as N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide  .
The molecule OC(=O)CN(C)C(=O)CC(C)C OC(=O)CN(C)C(=O)CC(C)C is an N-acyl-amino acid resulting from the formal condensation of carboxy group of isovaleric acid with the amino group of sarcosine. It has the role of human blood serum metabolite . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as glycine derivative , N-acyl-amino acid .
The molecule C[NH2+]CC(=O)O is an alpha-amino-acid cation that is the conjugate acid of sarcosine, arising from protonation of the amino group. It has a role as a human metabolite. It is a conjugate acid of a sarcosine.
The molecule Oc1ccc(Cl)cc1O Oc1ccc(Cl)cc1O is A chlorocatechol that is catechol substituted by a chloro group at position 4. It has the role of bacterial xenobiotic metabolite . It is also related to or classified as chlorocatechol , monochlorobenzenes .
The molecule OC(CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1C/C=C\CC)=O OC(CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1C/C=C\CC)=O is A (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid in which the chiral centres at positions 16 and 17 both have S-configuration. An intermediate of specialized proresolving mediators. It has the role of human xenobiotic metabolite . It is a conjugate acid of (16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoate . It is also related to or classified as (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid  .
The molecule COC1=CC(=CC(=C1OC)OC)C=CC(=O)NC2=CC3=C(C=C2)N=C4CCCCN4C3=O COC1=CC(=CC(=C1OC)OC)C=CC(=O)NC2=CC3=C(C=C2)N=C4CCCCN4C3=O is N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
The molecule OP(O)(O)=O.CCC(=O)N1CC[C@@H](C1)NC1=C2CN(CCC2=NC=N1)C1=CC(=C(OC)N=C1)C(F)(F)F OP(O)(O)=O.CCC(=O)N1CC[C@@H](C1)NC1=C2CN(CCC2=NC=N1)C1=CC(=C(OC)N=C1)C(F)(F)F is A phosphate salt obtained by reaction leniolisib with one equivalent of phosphoric acid. It is used to treat activated phosphoinositide 3-kinase delta (PI3Kdelta) syndrome in adults and children 12 years of age and older. It has the role of EC 2.7.1.153 (phosphatidylinositol-4,5-bisphosphate 3-kinase) inhibitor . It has the role of immunomodulator . It is also related to or classified as phosphate salt .
The molecule O1C23C4C5(C(C2C(C(O)C(O)C3O)(C1=O)C)C(O)=O)CC(CC4)C(C5)=C O1C23C4C5(C(C2C(C(O)C(O)C3O)(C1=O)C)C(O)=O)CC(CC4)C(C5)=C is Gibberellin A79. It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule CNCC[C@@]1(CCC2=C(C1)C=CC=N2)C3=CC(=C(C=C3)OC)OC is 5,6,7,8-Tetrahydroquinoline in whith the hydrogens at position 6 are substituted by a 3-azabutyl group and a 3,4-dimethoxyphenyl group. (S configuration). It is found in the herb kanna (Sceletium tortuosum). It has a role as a plant metabolite.
The molecule O(CC1=C(NS(=O)(=O)C(F)F)C(C(C=2N=C(OC)C=C(OC)N2)O)=CC=C1)C O(CC1=C(NS(=O)(=O)C(F)F)C(C(C=2N=C(OC)C=C(OC)N2)O)=CC=C1)C is A member of the class of pyrimidines that is pyrimidine which is substituted by a [2-{[(difluoromethyl)sulfonyl]amino}-3-(methoxymethyl)phenyl](hydroxy)methyl group at position 2  and by methoxy groups at positions 4 and 6. It is also related to or classified as sulfonamide  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as aromatic ether , organofluorine pesticide , pyrimidines .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC(C1)=O)[H])[H])(CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C([O-])=O)O)O)O)[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC(C1)=O)[H])[H])(CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C([O-])=O)O)O)O)[H])C)[H])C is A steroid glucuronide anion that is the conjugate base of 5alpha-dihydrotestosterone 17-O-[beta-D-glucuronosyl-(1->2)-glucuronide] arising from deprotonation of the carboxylic acid functions; major species at pH 7.3.   It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as steroid glucosiduronic acid anion , androstane conjugate .
The molecule CC(C)Oc1cc(CC=C)ccc1O CC(C)Oc1cc(CC=C)ccc1O is A phenylpropanoid that is an analogue of eugenol in which an isopropoxy group replaces the methoxy group. Its functional parent is catechol . It is also related to or classified as phenylpropanoid .
The molecule C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O is a member of the class of sennosides that is rel-(9R,9'R)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'. The exact stereochemisty at positions 9 and 9' is not known - it may be R,R (as shown) or S,S. It is a member of sennosides and an oxo dicarboxylic acid.
The molecule C(CCC(O)=O)/C=C\C[C@@H]1\C(\C(C=C1)=O)=C/C=C/C/C=C\CC C(CCC(O)=O)/C=C\C[C@@H]1\C(\C(C=C1)=O)=C/C=C/C/C=C\CC is A prostaglandin J derivative comprising prostaglandin J3 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions. An intermediate of specialised proresolving mediators. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . It is a conjugate acid of 15-deoxy-Delta(12,14)-prostaglandin J3(1-) . It is also related to or classified as prostaglandins J  .
The molecule CC/C=C\\C[C@H](/C=C\\C=C\\C=C\\[C@@H](C/C=C\\C/C=C\\CCC(=O)O)O)O is a dihydroxydocosahexaenoic acid that is (4Z,7Z,11E,13E,15Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at positions 10 and 17 (the 10R,17R-stereoisomer). It has a role as a human xenobiotic metabolite, an anti-inflammatory agent, a neuroprotective agent and a specialised pro-resolving mediator. It is a dihydroxydocosahexaenoic acid and a secondary allylic alcohol. It is a conjugate acid of an aspirin-triggered protectin D1(1-).
The molecule CCN(CC)C(=O)C(\C#N)=C\c1cc(O)c(O)c(c1)[N+]([O-])=O CCN(CC)C(=O)C(\C#N)=C\c1cc(O)c(O)c(c1)[N+]([O-])=O is A monocarboxylic acid amide that is N,N-diethylprop-2-enamide in which the hydrogen at position 2 is substituted by a cyano group and the hydrogen at the 3E position is substituted by a 3,4-dihydroxy-5-nitrophenyl group. It has the role of central nervous system drug . It has the role of EC 2.1.1.6 (catechol O-methyltransferase) inhibitor . It has the role of antiparkinson drug . It has the role of antidyskinesia agent . It is also related to or classified as nitrile  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as catechols  . It is also related to or classified as 2-nitrophenols .
The molecule O=C(OC)CCCCCCCCCC/C=C\CCCCC O=C(OC)CCCCCCCCCC/C=C\CCCCC is Cis-12-octadecenoic acid methyl ester. It is also related to or classified as fatty acid methyl ester  .
The molecule O=C1O[C@]23[C@@](O)([C@@H](O)C=4C(O)=CC=CC4[C@H]2O)[C@H](C)O[C@@H](C1)C3 O=C1O[C@]23[C@@](O)([C@@H](O)C=4C(O)=CC=CC4[C@H]2O)[C@H](C)O[C@@H](C1)C3 is Luisol A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC(CC/C=C(/C)\\CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)CCOP(=O)([O-])OP(=O)([O-])OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)NC(=O)C)O)NC(=O)C is the dolichyl diphosphooligosaccharide(2-) species that is the dianion formed by loss of protons from the diphospho linkage in alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol); major microspecies at pH 7.3. It is a conjugate base of an alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol).
The molecule OC[C@H](O)[C@@H](O)CC(=O)C(O)=O OC[C@H](O)[C@@H](O)CC(=O)C(O)=O is A ketoaldonic acid that is the 2-dehydro-3-deoxy derivative of L-galactonic acid. It is a conjugate acid of 2-keto-3-deoxy-L-galactonate . It is also related to or classified as ketoaldonic acid , hexonic acid .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC(C1)=O)[H])[H])(CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC(C1)=O)[H])[H])(CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)[H])C)[H])C is A steroid glucuronide anion that is the conjugate base of 5alpha-dihydrotestosterone 17-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.   It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as beta-D-glucosiduronate  . It is also related to or classified as steroid glucosiduronic acid anion , androstane conjugate .
The molecule C=1(C(=NNC1)C)C.P(O)(=O)(O)O C=1(C(=NNC1)C)C.P(O)(=O)(O)O is A phosphate salt obtained by reacting 3,4-dimethyl-1H-pyrazole with one equivalent of phosphoric acid. It is a nitrification inhibitor and when used on crops, it prevents nitrogen loss from soil, increases nitrogen use efficiency, and boosts crop yields. It has the role of nitrification inhibitor . It is also related to or classified as phosphate salt .
The molecule C[NH+](C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)[O-])O)[O-])O)N(C)C is an organic anion that is the conjugate base of minocycline, obtained by deprotonation of the two enolic hydroxy groups and protonation of the non-aromatic tertiary amino group. It is a conjugate base of a minocycline and a minocycline zwitterion.
The molecule C1[C@@H]2[C@@]([C@@]3([C@@](C1)(C([C@@H](C4=C(CC[C@](C4(C)C)([C@H]3O)O)C)O)=O)C)[H])(O)CO2 C1[C@@H]2[C@@]([C@@]3([C@@](C1)(C([C@@H](C4=C(CC[C@](C4(C)C)([C@H]3O)O)C)O)=O)C)[H])(O)CO2 is 1beta,2alpha,4alpha,10beta-tetrahydroxy-5beta,20-epoxytax-11-en-9-one. Its functional parent is baccatin III . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as oxetanes , tetracyclic diterpenoid .
The molecule OC(CCCCC/C=C\C/C=C\C=C\[C@H](C/C=C\C/C=C\CC)OO)=O OC(CCCCC/C=C\C/C=C\C=C\[C@H](C/C=C\C/C=C\CC)OO)=O is A (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoic acid in which the chiral centre at position 14 has S-configuration. An intermediate of specialised proresolving mediators. It has the role of human xenobiotic metabolite . It is a conjugate acid of (7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosapentaenoate . It is also related to or classified as (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoic acid  .
The molecule [P-] [P-] is phosphide(1-). It is also related to or classified as monoatomic monoanion  . It is also related to or classified as monoatomic phosphorus .
The molecule S1C2=NC(=C1COC)C(=O)NCC(=O)NC(C=3SC=C(N3)C=4SC=C(N4)C5=C(C6=NC(C(NC(C7=NC(C(NC2C(C)C)=O)=C(S7)C)CC(=O)NC)=O)=CS6)C=CC(=N5)C=8SC=C(N8)C=9OC=C(N9)C(=O)N%10C(C(=O)N)CCC%10)C(O)C%11=CC=CC=C%11 S1C2=NC(=C1COC)C(=O)NCC(=O)NC(C=3SC=C(N3)C=4SC=C(N4)C5=C(C6=NC(C(NC(C7=NC(C(NC2C(C)C)=O)=C(S7)C)CC(=O)NC)=O)=CS6)C=CC(=N5)C=8SC=C(N8)C=9OC=C(N9)C(=O)N%10C(C(=O)N)CCC%10)C(O)C%11=CC=CC=C%11 is GE 2270 T. It is also related to or classified as keratan 6'-sulfate , azamacrocycle .
The molecule C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino oligosaccharide that is a dodecasaccharide derivative consisting of a beta-D-GlcNAc residue at the reducing end with a beta-D-GalNAc-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GalNAc-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc moiety attached via a beta-(1->4) linkage and with two alpha-L-fucosyl residues attached via (1->3) and (1->6) linkages. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino oligosaccharide .
The molecule COc1ccc(cc1)-c1coc2cc([O-])cc(O)c2c1=O COc1ccc(cc1)-c1coc2cc([O-])cc(O)c2c1=O is conjugate base of biochanin A arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule C[NH+]1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC is an ammonium ion that is the conjugate acid of (S)-reticuline, arising from protonation of the tertiary amino group; major species at pH 7.3. It is a conjugate acid of a (S)-reticuline.
The molecule CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)C(S2)C)C CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)C(S2)C)C is 5-(4-acetyloxy-3-methoxyphenyl)-2,7-dimethyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule C=1C(=C(C=C(C1)Cl)Cl)NC(C2(C(O)=O)CC2)=O C=1C(=C(C=C(C1)Cl)Cl)NC(C2(C(O)=O)CC2)=O is A monocarboxylic acid that is cyclopropanecarboxylic acid that is substituted by a 3,5-dichlorophenylcarbamoyl group at position 1. It is a plant growth regulator which is used as a cotton harvest aid. It has the role of fungicide . It has the role of plant growth regulator . It is also related to or classified as anilide  . It is also related to or classified as dichlorobenzene  . It is also related to or classified as monocarboxylic acid , cyclopropanes .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCC[C@H](CC(=O)O)O)O)OC(=O)C2=CNC3=CC=CC=C32 is a 4-O-(1H-indol-3-ylcarbonyl)ascaroside that is icas#18 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an (omega-1)-hydroxy fatty acid ascaroside, a 3-hydroxy carboxylic acid, a 4-O-(1H-indol-3-ylcarbonyl)ascaroside and a monocarboxylic acid. It derives from a bhas#18, an icas#18 and a (3R,10R)-3,10-dihydroxyundecanoic acid.
The molecule P#[P+] P#[P+] is diphosphorus(.1+). It is also related to or classified as diatomic phosphorus , inorganic radical cation .