anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [C@]1([C@@](C(OC1)=O)(C(CCCCC(C)C)=O)[H])(COP([O-])(=O)[O-])[H] [C@]1([C@@](C(OC1)=O)(C(CCCCC(C)C)=O)[H])(COP([O-])(=O)[O-])[H] is A [(3S,4R)-4-alkanoyl-5-oxooxolan-3-yl]methyl phosphate(2-) obtained by deprotonation of the phosphate OH groups of [(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl dihydrogen phosphate; major species at pH 7.3. It is also related to or classified as [(3S,4R)-4-alkanoyl-5-oxooxolan-3-yl]methyl phosphate(2-)  .
The molecule OS(=O)(=O)SSS(O)(=O)=O OS(=O)(=O)SSS(O)(=O)=O is tetrathionic acid. It is a conjugate acid of tetrathionate(1-) . It is also related to or classified as sulfur oxoacid .
The molecule C1(=C(C(OC1)=O)C(CCCCC(C)C)=O)COP([O-])(=O)[O-] C1(=C(C(OC1)=O)C(CCCCC(C)C)=O)COP([O-])(=O)[O-] is A (4-alkanoyl-5-oxo-2,5-dihydrofuran-3-yl)methyl phosphate(2-) obtained by deprotonation of the phosphate OH groups of [4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate; major species at pH 7.3. It is also related to or classified as (4-alkanoyl-5-oxo-2,5-dihydrofuran-3-yl)methyl phosphate(2-)  .
The molecule C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)/C=N/[C@H](C([O-])=O)C(C)C C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)/C=N/[C@H](C([O-])=O)C(C)C is major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule O1C(C(O)C(O)C(O)C1OC=2C3=C(OC(=CC3=O)C4=C(OC)C(OC)=C(O)C=C4)C(OC)=C(OC)C2)CO O1C(C(O)C(O)C(O)C1OC=2C3=C(OC(=CC3=O)C4=C(OC)C(OC)=C(O)C=C4)C(OC)=C(OC)C2)CO is 5,4'-Dihidroxy-7,8,2',3'-tetramethoxy flavone 5-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)C[NH2+][C@H](C([O-])=O)CC=2C=CC=CC2 C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)C[NH2+][C@H](C([O-])=O)CC=2C=CC=CC2 is major species at pH 7.3. It is also related to or classified as amino-acid betaine .
The molecule [H]SSS[H] [H]SSS[H] is trisulfane. It is a conjugate acid of trisulfanide . It is also related to or classified as sulfur hydride .
The molecule C(\C/C=C\C=C\[C@H](C/C=C\CCC(=O)O)OO)=C\C=C\[C@H](O)C/C=C\CC C(\C/C=C\C=C\[C@H](C/C=C\CCC(=O)O)OO)=C\C=C\[C@H](O)C/C=C\CC is A hydroperoxy fatty acid that is (4Z,8E,10Z,13Z,15E,19Z)-docosa-4,8,10,13,15,19-hexaenoic acid carrying a hydroperoxy group at the 7S-position and a hydroxy group at the 17R-position. It is an intermediate involved in the resolvin D1 biosynthesis pathway. It has the role of metabolite . It is also related to or classified as hydroperoxy polyunsaturated fatty acid  . It is also related to or classified as hydroxydocosahexaenoic acid .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C is 4-(dimethylamino)-N-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O is azinphos-ethyl. It has the role of acaricide . It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .
The molecule OC(=O)C(\Cl)=C/C=C(/Cl)C(O)=O OC(=O)C(\Cl)=C/C=C(/Cl)C(O)=O is 2,5-dichloro-cis,cis-muconic acid. Its functional parent is cis,cis-muconic acid . It is also related to or classified as 2,5-dichloromuconic acid  .
The molecule N\C=C/S[O-] N\C=C/S[O-] is A sulfur oxoanion that is the conjugate base of (Z)-2-aminoethene-1-SO-thioperoxol resulting from the depronation of thioperoxol group. It is also related to or classified as sulfur oxoanion .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)[C@H](C)CO)C)CNC C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)[C@H](C)CO)C)CNC is 1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)N[C@H]([C@@H](O)CC(=O)C([O-])=O)[C@@H](O)[C@H](O)[C@H](O)CO CC(=O)N[C@H]([C@@H](O)CC(=O)C([O-])=O)[C@@H](O)[C@H](O)[C@H](O)CO is an N-acetylneuraminate that is the conjugate base of aceneuramic acid arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3.  It is also related to or classified as 2-oxo monocarboxylic acid anion  . It is also related to or classified as N-acetylneuraminates .
The molecule C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(O)=O C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(O)=O is A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens is replaced by a [(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(isopropyloxycarbonyloxymethyl) ester (disoproxil ester) prodrug is used as the fumaric acid salt in combination therapy for the treatment of HIV infection. It has the role of antiviral drug . It has the role of drug metabolite . It has the role of HIV-1 reverse transcriptase inhibitor . It is a conjugate acid of tenofovir(1-) . It is also related to or classified as phosphonic acids , nucleoside analogue .
The molecule CCN(CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F)CCO is a 1,4-benzodiazepinone, a member of monofluorobenzenes, an organochlorine compound and a tertiary amino compound. It has a role as a human urinary metabolite, a human xenobiotic metabolite and a sedative. It derives from a flurazepam.
The molecule N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O is the D-enantiomer of thyroxine. It is also related to or classified as thyroxine  . It is also related to or classified as D-tyrosine derivative .
The molecule [Cd++] [Cd++] is cadmium(2+). It has the role of cofactor . It is also related to or classified as monoatomic dication  . It is also related to or classified as divalent metal cation , cadmium cation .
The molecule CC(C1=CC=C(CCC=C(CCC=C(CC1)C)C)C)C CC(C1=CC=C(CCC=C(CCC=C(CC1)C)C)C)C is A diterpene produce by a diterpene synthase from Micromonospora sp. It has the role of bacterial metabolite . It is also related to or classified as diterpene  .
The molecule N1(C=2C(=C(N)N=CN2)N=C1)C[C@H](OCP(O)(=O)[O-])C N1(C=2C(=C(N)N=CN2)N=C1)C[C@H](OCP(O)(=O)[O-])C is A phosphorus oxoanion resulting from the removal of one proton from the phosphonic acid group of tenofovir. The major microspecies at pH 7.3. It has the role of antiviral drug . It has the role of HIV-1 reverse transcriptase inhibitor . It is also related to or classified as phosphorus oxoanion .
The molecule COc1cc(ccc1O)C(O)C(CO)Oc1ccccc1OC COc1cc(ccc1O)C(O)C(CO)Oc1ccccc1OC is A glycerol ether in which guaiacyl and guaiacylglycerol subunits are joined by an arylglycerol-beta-aryl (beta-O-4) linkage. Its functional parent is guaiacol . It is also related to or classified as glycerol ether .
The molecule COC1=C(C=C(C=C1)C/C(=N\\O)/C(=O)NCCC2=CN=CN2)Br is a monocarboxylic acid amide that is N-[2-(1H-imidazol-4-yl)ethyl]propanamide substituted by a hydroxyimino group at position 2 and a 3-bromo-4-methoxyphenyl group at position 3. A bromotyrosine derivative isolated from the marine sponge Verongula gigantea, it exhibits histamine-H3 antagonist activity. It has a role as an animal metabolite, a marine metabolite and a H3-receptor antagonist. It is a ketoxime, a monomethoxybenzene, a member of bromobenzenes, a member of imidazoles and a monocarboxylic acid amide.
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC is 1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H]O[Se](=O)(=O)O[H] [H]O[Se](=O)(=O)O[H] is selenic acid. It is a conjugate acid of hydrogenselenate . It is also related to or classified as selenium oxoacid .
The molecule C=1(C=CC=CC1NC(=O)/C=C/C=2C=CC=CC2)SCCCN(C)C C=1(C=CC=CC1NC(=O)/C=C/C=2C=CC=CC2)SCCCN(C)C is an aryl sulfide that is (2E)-3-phenyl-N-(2-sulfanylphenyl)prop-2-enamide in which the hydrogen of the thiol group is substituted by a 3-(dimethylamino)propyl group. It is a 5-hydroxytryptamine receptor antagonist and an inhibitor of SARS-CoV replication. It has the role of EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor . It has the role of anticoronaviral agent . It has the role of antiviral agent . It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides , aryl sulfide , tertiary amino compound .
The molecule O1N=C(C2=C1NC=C(C2=O)C(OCC)=O)C O1N=C(C2=C1NC=C(C2=O)C(OCC)=O)C is ethyl 4-hydroxy-3-methylisoxazolo[5,4-b]pyridine-5-carboxylate. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O is an anthocyanidin cation that is flavylium bearing five hydroxy substituents at positions 3, 3', 4', 5 and 7 as well as a methoxy substituent at position 5'. It has a role as a plant metabolite.
The molecule NCCCCC(CN)CCCN NCCCCC(CN)CCCN is A primary amine comprising an octane skeleton with amino substituents at carbon positions 1 and 8; and an aminomethyl substituent at position 5. It is also related to or classified as primary amine  .
The molecule CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nc(OC(C)C)n1)C(F)(F)F CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nc(OC(C)C)n1)C(F)(F)F is fluacrypyrim. It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It is also related to or classified as methyl ester  .   It is also related to or classified as enol ether  . It is also related to or classified as enoate ester  . It is also related to or classified as organofluorine acaricide , pyrimidines .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C is (3R,9S,10R)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule NCCCCCCNc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O NCCCCCCNc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O is an N-substituted diamine that consists of 1,6-hexanediamine bearing a 2,4-dinitro-6-carboxyphenyl substituent. Its functional parent is hexane-1,6-diamine . It is also related to or classified as benzoic acids , C-nitro compound , N-substituted diamine .
The molecule C[C@H]1[C@H](C/C=C/C=C/C=C/[C@@H](CC(=O)NC2=CC(=CC(=C2O)CC/C=C(\\[C@@H]1O)/C)O)OC)OC(=O)C3(CC3)NC(=O)C4=CCCCC4 is a 21-membered macrocyclic lactam which contains three conjugated double bonds as part of the ring system. It acts as an apoptosis inducer in human leukemia HL-60 cells and is isolated from Streptomyces sp. It has a role as a metabolite, an antineoplastic agent, an antibacterial agent, an antimicrobial agent and an apoptosis inducer. It is a lactam, a member of hydroquinones, a macrocycle, a secondary alcohol, an ether and a cyclopropanecarboxylate ester.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C is N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylmethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC12C3C4N(CC5(C(C4(C6C1C(O)C(C6)C(OC)C2)C(O)CC5)C3)COC)CC OC12C3C4N(CC5(C(C4(C6C1C(O)C(C6)C(OC)C2)C(O)CC5)C3)COC)CC is 11-Ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol. Its functional parent is aconitane . It is also related to or classified as diterpene alkaloid .
The molecule O(CCC(O)=O)C1=CC=C(OC)C=C1 O(CCC(O)=O)C1=CC=C(OC)C=C1 is 3-(4-methoxyphenoxy)propanoic acid. It is also related to or classified as carboxylic acid  . It is also related to or classified as aromatic ether .
The molecule CCCCCC(/C=C/C=C\\CCCCCCCC(=O)[O-])O is a HODE(1-) that is the conjugate base of 13-HODE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It derives from a linoleate. It is a conjugate base of a 13-HODE.
The molecule O=C/1N[C@@H](C(=O)N\C1=C/C=2C3=C(C(=CC=C3)CC=C(C)C)NC2C(C=C)(C)C)C O=C/1N[C@@H](C(=O)N\C1=C/C=2C3=C(C(=CC=C3)CC=C(C)C)NC2C(C=C)(C)C)C is (+)-variecolorin G. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule Fc1ccccc1F Fc1ccccc1F is A difluorobenzene carrying fluoro groups at positions 1 and 2. It has the role of anaesthetic . It is also related to or classified as difluorobenzene  .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC is A 2,3-diacyl-sn-glycerol in which the 2- and 3-acyl groups are both specified as oleoyl. Its functional parent is oleic acid . It is also related to or classified as 2,3-diacyl-sn-glycerol  . It is also related to or classified as dioleoylglycerol  .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O is an organophosphate oxoanion that is the pentaanionic form of adenosine 5'-tetraphosphate. It is also related to or classified as organophosphate oxoanion .
The molecule [H][C@]12CC[C@]3([H])[C@](CC1=C)(C2)[C@@H](C([O-])=O)[C@]1([H])[C@@]2(C)[C@@H](O)CC[C@@]31OC2=O [H][C@]12CC[C@]3([H])[C@](CC1=C)(C2)[C@@H](C([O-])=O)[C@]1([H])[C@@]2(C)[C@@H](O)CC[C@@]31OC2=O is A gibberellin carboxylic acid anion that is the conjugate base of gibberellin A4, obtained by deprotonation of the carboxy group. It is also related to or classified as gibberellin carboxylic acid anion .
The molecule CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3 CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3 is A member of the class of indazoles carrying benzyl and 3-(dimethylamino)propyl groups at positions 1 and 3 respectively. A locally-acting nonsteroidal anti-inflammatory drug that also exhibits local anaesthetic and analgesic properties. It has the role of central nervous system stimulant . It has the role of non-steroidal anti-inflammatory drug . It has the role of analgesic . It has the role of hallucinogen . It has the role of local anaesthetic . It is also related to or classified as aromatic ether , indazoles , tertiary amino compound .
The molecule CC(C)(/C=C/CC(C)(C=C)O)OO is linalool hydroperoxide where the hydroperoxy group is located at position 7 of the linalool skeleton; one of the two main allergenic hydroperoxides formed by autoxidation of linalool. It has a role as an allergen.
The molecule O=C[C@@H]([NH3+])CC=1C=CC(=CC1)O O=C[C@@H]([NH3+])CC=1C=CC(=CC1)O is A primary ammonium ion resulting from the protonation of the amino group of L-tyrosinal. It is a conjugate acid of L-tyrosinal . It is also related to or classified as primary ammonium ion  .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3 is 1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Cc1ncc(COP([O-])([O-])=O)c(C[NH3+])c1O Cc1ncc(COP([O-])([O-])=O)c(C[NH3+])c1O is an organophosphate oxoanion that is the conjugate base of pyridoxamine 5'-phosphate. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as vitamin B6 phosphate anion .
The molecule C[C@@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)[C@@H]1O C[C@@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)[C@@H]1O is A nucleotide-sugar oxoanion arising from deprotonation of the phosphate OH groups of dTDP-6-deoxy-L-talose; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C[NH+](C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3 C[NH+](C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3 is an organic cation obtained by protonation of the tertiary amino group of benzydamine. It is the major microspecies at pH 7.3 of benzydamine, which is a locally-acting nonsteroidal anti-inflammatory drug with additional local anaesthetic and analgesic properties. It is a conjugate acid of benzydamine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O)CO)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=C(O4)C(=O)[O-])O)O)O)O is a carbohydrate acid anion that results from the deprotonation of the carboxylic acid group of beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp. The major species at pH 7.3. It is a conjugate base of a beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp.
The molecule C[C@@H]1[C@H](O)C[C@@H](O)C2=CC[C@H](C[C@]12C)C(C)=C C[C@@H]1[C@H](O)C[C@@H](O)C2=CC[C@H](C[C@]12C)C(C)=C is an eremophilane sesquiterpenoid that is (+)-5-epi-aristolochene bearing additional 1beta- and 3alpha-hydroxy substituents. It is a phytoalexin produced in Nicotiana and Capsicum plant species in response to pathogen attack. It has the role of antifungal agent . It has the role of plant metabolite . Its functional parent is (+)-5-epi-aristolochene . It is also related to or classified as octahydronaphthalenes , sesquiterpene phytoalexin , eremophilane sesquiterpenoid .
The molecule C1N([C@@](C2=C(C1)C=C3OCOC3=C2OC)([H])[C@@]4(C=5C=CC(=C(C5C(O4)O)OC)OC)[H])C C1N([C@@](C2=C(C1)C=C3OCOC3=C2OC)([H])[C@@]4(C=5C=CC(=C(C5C(O4)O)OC)OC)[H])C is A lactol that is (-)-noscapine [which is also known as (-)-alpha-narcotine] in which the carbonyl group of the lactone moiety has been reduced to give the corresponding lactol. It is the biosynthetic precursor of (-)-noscapine.     It is also related to or classified as lactol  . It is also related to or classified as benzylisoquinoline alkaloid , organic heterotricyclic compound , organic heterobicyclic compound , aromatic ether , 2-benzofurans , tertiary amino compound , cyclic acetal .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43 is 1-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COP(=O)(OC)SCn1c2ncc(Cl)cc2oc1=O COP(=O)(OC)SCn1c2ncc(Cl)cc2oc1=O is azamethiphos. It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is oxazolo[4,5-b]pyridin-2(3H)-one . It is also related to or classified as organochlorine insecticide , organothiophosphate insecticide , organic thiophosphate , organochlorine acaricide .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCC/C=C/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 is a 2,3-trans-enoyl(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (2E,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA.
The molecule NCCNCCN NCCNCCN is diethylenetriamine. It is also related to or classified as triamine  . It is also related to or classified as polyazaalkane .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C is (4S,7R,8S)-14-(methanesulfonamido)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)C[C@@H](O)CC4)C)(CC2)[H])[H])(C[C@H]1O)[H])C O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)C[C@@H](O)CC4)C)(CC2)[H])[H])(C[C@H]1O)[H])C is 5-Androstene-3b,16a,17a-triol. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C1C[C@](C=CC1(C)OO)(C(C)=C)[H] C1C[C@](C=CC1(C)OO)(C(C)=C)[H] is (4R)-Limonene hydroperoxide where the hydroperoxy group is located at position 1 of the limonene skeleton; one of the two main allergenic hydroperoxides formed by autoxidation of (4R)-limonene. It has the role of allergen . It is also related to or classified as (4R)-limonene hydroperoxide .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N is an ADP-aldose having alpha-D-glucopyranose as the sugar moiety. It has a role as a plant metabolite and an Escherichia coli metabolite. It is an ADP-aldose and an alpha-D-glucoside. It is a conjugate acid of an ADP alpha-D-glucoside(2-).
The molecule Oc1ccc(cc1)-c1coc2cc([O-])cc(O)c2c1=O Oc1ccc(cc1)-c1coc2cc([O-])cc(O)c2c1=O is an organic anion that is the conjugate base of genistein, obtained by selective deprotonation of the 7-hydroxy group. It is also related to or classified as organic anion .
The molecule NNc1ccc(Cl)cc1 NNc1ccc(Cl)cc1 is phenylhydrazine substituted at the para position by a chloro group. It is also related to or classified as phenylhydrazines , monochlorobenzenes .
The molecule CC(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-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](C(=O)[O-])O)O is a acyl-CoA oxoanion that is the pentaanion of (3R)-3-carboxy-3-hydroxypropanoyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxy functions. It is a conjugate base of a (3R)-3-carboxy-3-hydroxypropanoyl-CoA.
The molecule CCCCCCCCCCCCCCCCS(O)(=O)=O CCCCCCCCCCCCCCCCS(O)(=O)=O is hexadecane-1-sulfonic acid. It is a conjugate acid of hexadecane-1-sulfonate . It is also related to or classified as alkanesulfonic acid .
The molecule [O-]C(=O)C=[NH2+] [O-]C(=O)C=[NH2+] is A zwitterion obtained by transfer of a proton from the carboxy to the imino group of dehydroglycine. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of dehydroglycinate . It is also related to or classified as a 2-iminiocarboxylate  . It is also related to or classified as zwitterion  .