anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(C=CC=C/C=C/[C@H](C/C=C\CC)O)=CC([C@H](CCCCCC([O-])=O)O)O C(C=CC=C/C=C/[C@H](C/C=C\CC)O)=CC([C@H](CCCCCC([O-])=O)O)O is A docosanoid anion that is the conjugate base of (7S,8,17S)-trihydroxy-(15E,19Z)-docosa-9,11,13,15,19-pentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as docosanoid anion .
The molecule OC(=O)C1CSCN1 OC(=O)C1CSCN1 is A sulfur-containing amino acid that is proline in which the methylene group at position 4 is replaced by a sulfur atom. It has the role of antioxidant . It has the role of antidote . It has the role of hepatoprotective agent . It is also related to or classified as sulfur-containing amino acid , thiazolidinemonocarboxylic acid , non-proteinogenic alpha-amino acid .
The molecule CC1=CCC(CC1)(C(C)C)O is a terpineol that is 1-menthene carrying a hydroxy substituent at position 4. It has a role as a plant metabolite, an antibacterial agent, an antioxidant, an anti-inflammatory agent, an antiparasitic agent, an antineoplastic agent, an apoptosis inducer and a volatile oil component. It is a terpineol and a tertiary alcohol.
The molecule CC1(C)CC(CC(C)(C)N1[O])OC(=O)C1=CC=CC=C1 CC1(C)CC(CC(C)(C)N1[O])OC(=O)C1=CC=CC=C1 is A member of the class of piperidines that is TEMPO carrying a benzoyloxy group at position 4. It has the role of spin probe . It has the role of radical scavenger . Its functional parent is 4-hydroxy-TEMPO . It is also related to or classified as piperidines , benzoate ester , aminoxyls .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCC/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O is an ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#3 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester, an (omega-1)-hydroxy fatty acid ascaroside and an alpha,beta-unsaturated carboxylic ester. It derives from an ascr#3.
The molecule O([C@@H]1C(O)[C@H](O)[C@@H](OC1C)OCC2O[C@@H](OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(OC)C=C5)C(O)[C@@H](O)[C@@H]2O)[C@@H]6OC([C@H](O)C(O)[C@@H]6O)C O([C@@H]1C(O)[C@H](O)[C@@H](OC1C)OCC2O[C@@H](OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(OC)C=C5)C(O)[C@@H](O)[C@@H]2O)[C@@H]6OC([C@H](O)C(O)[C@@H]6O)C is Kaempferol 4'-methyl ether 3-(4Rha-rhamnosylrutinoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
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=CC=C3 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=CC=C3 is 1-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-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 OC(CC[N+]([O-])=O)=O OC(CC[N+]([O-])=O)=O is A C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group. It has the role of mycotoxin . It has the role of neurotoxin . It has the role of antimycobacterial drug . It has the role of EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor . Its functional parent is propionic acid . It is a conjugate acid of 3-nitropropanoate . It is also related to or classified as C-nitro compound .
The molecule [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C([O-])=O [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C([O-])=O is A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the amino groups of Lys-Lys; major species at pH 7.3. It is a conjugate acid of Lys-Lys . It is also related to or classified as peptide cation .
The molecule CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@H](O)CO)C(O)=O)[C@@H](O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@H]1OP(O)(O)=O CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@H](O)CO)C(O)=O)[C@@H](O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@H]1OP(O)(O)=O is (Kdo)2-lipid A (E. coli). It has the role of Escherichia coli metabolite . Its functional parent is lipid A (E. coli) . It is a conjugate acid of (Kdo)2-lipid A(6-) (E. coli) .  It is also related to or classified as dodecanoate ester  . It is also related to or classified as tetradecanoate ester  . It is also related to or classified as lipid As .
The molecule [H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO [H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO is N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-aldehydo-D-glucosamine. Its functional parent is beta-D-glucosaminyl-(1->4)-aldehydo-D-glucosamine . It is also related to or classified as N,N'-diacetylchitobioses .
The molecule C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O is a steroid glucosiduronic acid having androsterone as the steroid component. It has a role as a metabolite, a human metabolite and a mouse metabolite. It is a beta-D-glucosiduronic acid and a steroid glucosiduronic acid. It derives from an androsterone and a beta-D-glucuronic acid.
The molecule O=C1C=2C(=O)C3=C(C=C(O)C=C3C)C(C2C(C)(C)C=4C1=C(O)C=C(O)C4)=O O=C1C=2C(=O)C3=C(C=C(O)C=C3C)C(C2C(C)(C)C=4C1=C(O)C=C(O)C4)=O is Tetarimycin A. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCC)=O O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCC)=O is A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and an undecanoyl group attached to the nitrogen. Its functional parent is alpha-D-galactose . Its functional parent is undecanoic acid . It is also related to or classified as glycophytoceramide .
The molecule C(C1[NH2+]CSC1)(=O)[O-] C(C1[NH2+]CSC1)(=O)[O-] is an alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of thioproline; major species at pH 7.3. It has the role of antioxidant . It has the role of antidote . It is also related to or classified as alpha-amino-acid zwitterion  .
The molecule CC(C)[C@@H]1C[C@H]([C@H]2[C@]1(CC[C@@]3([C@@]2(CC=C4C3=CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C)O is a pentacyclic triterpenoid of the class of arborinane-type terpenoids isolated from the roots of Rubia yunnanensis. It has a role as a metabolite, an antineoplastic agent and a plant metabolite. It is a pentacyclic triterpenoid and a diol.
The molecule [Tl+] [Tl+] is thallium(1+).  It is also related to or classified as monoatomic monocation  . It is also related to or classified as thallium cation , monoatomic thallium .
The molecule CCCCC[C@H](C[C@H](C[C@@H]1CC2=C(C(=C3C(=C2)C=C(C(=C3O)C4=C(C5=C(C6=C(C[C@H](OC6=O)C[C@@H](C[C@@H](CCCCC)O)O)C=C5C=C4OC)O)O)OC)O)C(=O)O1)O)O is i would ideally like to have both the M and the P atropisomer, but I don't know how to indicate atropisomerism
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)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[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)NC(=O)C)O)O is a methyl glycoside that is beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc in which the anomeric hydroxy group is replaced by a beta-methoxy. It is a methyl glycoside, a tetrasaccharide derivative and a glucosamine oligosaccharide. It derives from a beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-GlcpNAc.
The molecule Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O is an aryl sulfide that is diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine. A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders. It has the role of antiplatyhelmintic drug . It has the role of antifungal agrochemical . It is also related to or classified as dichlorobenzene  . It is also related to or classified as polyphenol , aryl sulfide , organochlorine pesticide , bridged diphenyl fungicide , bridged diphenyl antifungal drug .
The molecule CCOc1ccc(cc1)C(C)(C)CO CCOc1ccc(cc1)C(C)(C)CO is 2-(4-ethoxyphenyl)-2-methylpropan-1-ol. Its functional parent is 4-tert-butylphenol . It is also related to or classified as propan-1-ols  . It is also related to or classified as aromatic ether .
The molecule CC1=CC(=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)SC)C#N CC1=CC(=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)SC)C#N is 2-cyano-N-(3-methylphenyl)-3-[4-(methylthio)phenyl]-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
The molecule O=C(CC(C(O)=O)NC(=N)N)O O=C(CC(C(O)=O)NC(=N)N)O is an aspartic acid derivative comprising aspartic acid carrying an N-amidino substituent. It is also related to or classified as aspartic acid derivative , guanidines , dicarboxylic acid .
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC([H])=O)OC)OC)O[C@@H]2[C@@H]([C@H](O[C@@H]([C@H]2NC([H])=O)C)OCCCCCC(OC)=O)O [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC([H])=O)OC)OC)O[C@@H]2[C@@H]([C@H](O[C@@H]([C@H]2NC([H])=O)C)OCCCCCC(OC)=O)O is A glycoside that consists of an N-formyl-2,3-di-O-methyl-alpha-D-perosamine residue linked (1->3) to an N-formyl-alpha-D-perosamine residue which is linked glycosidically to a 5-(methoxycarbonyl)pentyl group. It is also related to or classified as glycoside  . It is also related to or classified as methyl ester  . It is also related to or classified as disaccharide derivative .
The molecule CCC1=C(C=C2CC(CC2=C1)[NH2+]C[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC is an organic cation that is the conjugate acid of indacaterol, obtained by protonation of the secondary amino group. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of an indacaterol.
The molecule CC=1C=C(N/C(=N/C=2C=CC(=C(C2)F)F)/O)N(C3=CC=CC=C3)N1 CC=1C=C(N/C(=N/C=2C=CC(=C(C2)F)F)/O)N(C3=CC=CC=C3)N1 is ML297. It has the role of potassium channel opener . It is also related to or classified as organic molecular entity .
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)C3=CN(C=N3)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)C3=CN(C=N3)C is N-[[(3R,9R,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,1-dimethyl-4-imidazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=CC(=C3)C[C@H](O)C(O)(C)C)NC2C(C=C)(C)C)C O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=CC(=C3)C[C@H](O)C(O)(C)C)NC2C(C=C)(C)C)C is Dihydroxyisoechinulin A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(C=C/C=C\C=C\[C@H](C/C=C\CC)O)=C[C@@H]([C@@H](C/C=C\CCC([O-])=O)O)SC[C@H]([NH3+])C(=O)[O-] C(C=C/C=C\C=C\[C@H](C/C=C\CC)O)=C[C@@H]([C@@H](C/C=C\CCC([O-])=O)O)SC[C@H]([NH3+])C(=O)[O-] is A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the alpha-amino group of (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid; major species at pH 7.3. It is also related to or classified as docosanoid anion , dicarboxylic acid monoanion .
The molecule COc1cc(CO)ccc1O COc1cc(CO)ccc1O is A monomethoxybenzene that is 2-methoxyphenol substituted by a hydroxymethyl group at position 4. It has the role of plant metabolite . It is also related to or classified as guaiacols  . It is also related to or classified as benzyl alcohols .
The molecule COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O is an iridoid monoterpenoid. It has a role as an uncoupling protein inhibitor, a hepatotoxic agent, an apoptosis inhibitor, an antioxidant, an anti-inflammatory agent and a cross-linking reagent.
The molecule C/C/1=C\\CC[C@@]2([C@@H](O2)C[C@H]3[C@H](C/C(=C/CC1)/C)OC(=O)C3=C)CO is a cembrane diterpenoid isolated from Sinularia gibberosa and has been shown to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a gamma-lactone, a cembrane diterpenoid, an epoxide, a macrocycle and a primary alcohol.
The molecule CCCCC1(COC(=O)CCC(O)=O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 CCCCC1(COC(=O)CCC(O)=O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 is A pyrazolidine that is phenylbutazone which is substituted by a 3-carboxypropanoylmethyl group at the 4-position. Suxibuzone is a prodrug for phenylbutazone and is commonly used as an anti-inflammatory drug in horses. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of antirheumatic drug . It has the role of peripheral nervous system drug . It has the role of prodrug . It is also related to or classified as hemisuccinate , monocarboxylic acid , pyrazolidines .
The molecule CN1C(=O)N(C)[C@]2(Oc3c(O)cc4c(CC[N+]4(C)C)c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O CN1C(=O)N(C)[C@]2(Oc3c(O)cc4c(CC[N+]4(C)C)c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O is an alkaloid isolated from the marine sponge Neopetrosia exigua which acts as a potent inhibitor of indoleamine 2,3-dioxygenase. It is also related to or classified as exiguamine .
The molecule O1C2C3C(C4(C(C2)C(OC(C4)C=5C=COC5)=O)C)CC(O)CC3C1=O O1C2C3C(C4(C(C2)C(OC(C4)C=5C=COC5)=O)C)CC(O)CC3C1=O is Diosbulbin G. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O is a linear amino trisaccharide comprising an N,9-O-diacetyl-alpha-neuraminyl residue (2->3)-linked to a beta-D-galactosyl residue, which is in turn linked (1->4) to N-acetyl-beta-D-glucosamine. It has a role as an epitope. It is an amino trisaccharide and a glucosamine oligosaccharide.
The molecule CCCCCCCC\C=C/CCCCCCCC(O)=O CCCCCCCC\C=C/CCCCCCCC(O)=O is an octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. It has the role of antioxidant . It has the role of solvent . It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of Escherichia coli metabolite . It has the role of EC 3.1.1.1 (carboxylesterase) inhibitor . It has the role of Daphnia galeata metabolite . It is a conjugate acid of oleate . It is also related to or classified as octadec-9-enoic acid  .
The molecule [Pd] [Pd] is chemical element (nickel group element atom) with atomic number 46. It is also related to or classified as nickel group element atom , platinum group metal atom , metal allergen .
The molecule CNCCCC([O-])=O CNCCCC([O-])=O is an aza fatty acid anion and the conjugate base of 4-(methylamino)butyric acid. Its functional parent is butyrate . It is also related to or classified as aza fatty acid anion .
The molecule C(C=C/C=C\C=C\[C@H](C/C=C\CC)O)=C[C@@H]([C@@H](C/C=C\CCC([O-])=O)O)SC[C@H]([NH3+])C(=O)NCC(=O)[O-] C(C=C/C=C\C=C\[C@H](C/C=C\CC)O)=C[C@@H]([C@@H](C/C=C\CCC([O-])=O)O)SC[C@H]([NH3+])C(=O)NCC(=O)[O-] is A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the alpha-amino group of (8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid; major species at pH 7.3. It is also related to or classified as docosanoid anion , dicarboxylic acid monoanion , peptide anion .
The molecule C(C1=C(N=C(N1)I)I)[C@@H](C(=O)O)N is an iodoamino acid that is L-histidine in which the imidazole ring is substituted by iodine at positions 2- and 5(4). It is an iodoamino acid, a non-proteinogenic L-alpha-amino acid and a L-histidine derivative.
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 is N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
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-])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)O)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is the dianion resulting from the removal of the two protons from the diphosphate group of beta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate. It is a conjugate base of a beta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate.
The molecule CCCCCC\C=C\C=C/CCCCCCCC(O)=O CCCCCC\C=C\C=C/CCCCCCCC(O)=O is an octadeca-9,11-dienoic acid having 9-cis,11-trans-stereochemistry. It is a conjugate acid of 9-cis,11-trans-octadecadienoate . It is also related to or classified as octadeca-9,11-dienoic acid  .
The molecule CCCCCCCC(C)(CC)CC CCCCCCCC(C)(CC)CC is an alkane that is decane in which the two methylene hydrogens at position 3 have been replaced by a methyl group and an ethyl group. It has the role of volatile oil component . It has the role of plant metabolite . It has the role of bacterial metabolite . It is also related to or classified as alkane  .
The molecule O([C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@@H]1O)CO)[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C O([C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@@H]1O)CO)[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C is A glycosylgalactose consisting of alpha-L-fucopyranose and alpha-D-galactopyranose residues joined in sequence by a (1->2) glycosidic bond. Its functional parent is alpha-D-galactose . Its functional parent is alpha-L-fucose . It is also related to or classified as glycosylgalactose .
The molecule CCCCC\C=C/C\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CCCCC\C=C/C\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is A medium-chain unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cis,cis-dodeca-3,6-dienoic acid. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is coenzyme A . Its functional parent is cis,cis-dodeca-3,6-dienoic acid . It is a conjugate acid of (3Z,6Z)-dodecadienoyl-CoA(4-) . It is also related to or classified as unsaturated fatty acyl-CoA , medium-chain fatty acyl-CoA .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@H]([C@H]2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)CO)CO)O)O is an amino trisaccharide consisting of D-mannopyranose in which the hydroxy groups at positions 3 and 4 have been converted into the corresponding alpha-D-mannopyranosyl and 2-acetamino-2-deoxy-beta-D-glucopyranosyl derivatives, respectively. It is an amino trisaccharide and a member of acetamides. It derives from a beta-D-GlcpNAc-(1->4)-D-Manp and an alpha-D-Manp-(1->3)-D-Manp.
The molecule O1C23C4C5(C(C2C(C1=O)(C=CC3)CO)C(O)=O)CC(O)(CC4)C(C5)=C O1C23C4C5(C(C2C(C1=O)(C=CC3)CO)C(O)=O)CC(O)(CC4)C(C5)=C is Gibberellin A22. It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule C(NCC([O-])=O)(=O)C1=C(C=CC=C1)I C(NCC([O-])=O)(=O)C1=C(C=CC=C1)I is A carboxylic acid anion resulting from the deprotonation of the carboxy group of 2-iodohippuric acid. It is also related to or classified as carboxylic acid anion  .
The molecule O1C(O[C@@H]2C=3C(=C(O)C4=C(OC)C=C(C=C4C3)OC)CO[C@H]2C)C(O)C(O)C(C1CO)OC O1C(O[C@@H]2C=3C(=C(O)C4=C(OC)C=C(C=C4C3)OC)CO[C@H]2C)C(O)C(O)C(C1CO)OC is 2-[[(3S,4R)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCCCC(=O)NCC(O)=O CCCCCC(=O)NCC(O)=O is an N-acylglycine in which the acyl group is specified as hexanoyl. It has the role of metabolite . It is a conjugate acid of N-hexanoylglycinate . It is also related to or classified as N-acylglycine  .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[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=C(C=C3)C(F)(F)F)[C@@H](C)CO)C)CNC is 1-[(3R,9S,10R)-12-[(2S)-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-[4-(trifluoromethyl)phenyl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [Fe+2] is a divalent metal cation, an iron cation and a monoatomic dication. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, a mouse metabolite and a cofactor.
The molecule CC1=CCC(C2=CCCC(CO)C2)C1(C)C CC1=CCC(C2=CCCC(CO)C2)C1(C)C is [3-(2,2,3-trimethylcyclopent-3-enyl)cyclohex-3-enyl]methanol. It has the role of fragrance . It is also related to or classified as primary alcohol  . It is also related to or classified as cyclohexenylalkanol  .
The molecule OC(=O)\C=C\C(=O)CC(=O)C(O)=O OC(=O)\C=C\C(=O)CC(=O)C(O)=O is A  4,6-dioxohept-2-enedioic acid that is pyruvic acid substituted at position 3 by a fumaryl group. Its functional parent is pyruvic acid . It is a conjugate acid of 3-fumarylpyruvate(2-) . It is also related to or classified as 4,6-dioxohept-2-enedioic acid  . It is also related to or classified as beta-diketone .
The molecule C1C[C@H]([NH2+][C@@H]1CC(=O)[O-])C(=O)[O-] is an alpha-amino-acid anion that is the conjugate base of (2S,5S)-5-carboxymethylproline, obtained by deprotonation of the two carboxy groups and protonation of the endocyclic amino group. It is a conjugate base of a (5S)-5-(carboxymethyl)-L-proline.
The molecule [Os++] [Os++] is osmium(2+).  It is also related to or classified as monoatomic dication  . It is also related to or classified as osmium cation , divalent metal cation .
The molecule CC(=O)N1[C@H]([C@@H]([C@@H]1CO)C2=CC=CC=C2)CN(C)S(=O)(=O)C3=CC=CC=C3 CC(=O)N1[C@H]([C@@H]([C@@H]1CO)C2=CC=CC=C2)CN(C)S(=O)(=O)C3=CC=CC=C3 is N-[[(2R,3S,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide. It is also related to or classified as benzenes , ring assembly , azetidines .