anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(C)(C)c1ccc(O)cc1 CC(C)(C)c1ccc(O)cc1 is A member of the class of phenols that is phenol substituted with a  tert-butyl group at position 4. It has the role of allergen . It is also related to or classified as phenols  .
The molecule [O-]C(=O)CCCCC([O-])=O [O-]C(=O)CCCCC([O-])=O is A dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of adipic acid. It has the role of human xenobiotic metabolite . It is also related to or classified as saturated dicarboxylic acid dianion(2-)  .
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)C3CCCCC3 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)C3CCCCC3 is N-[[(3R,9R,10S)-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-methylcyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)CCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O is a cyclodepsipeptide that is N-[(3R)-3-hydroxy-11-methyldodecanoyl]-L-alpha-glutamyl-L-leucyl-D-leucyl-L-valyl-L-alpha-aspartyl-D-leucyl-L-leucine in which the C-terminal carboxy group has been lactonised by condensation with the alcoholic hydroxy group. It has a role as an antibacterial agent, an antifungal agent, an antiviral agent, a surfactant, a metabolite and an antineoplastic agent. It is a cyclodepsipeptide, a lipopeptide antibiotic and a macrocyclic lactone.
The molecule C[C@]12[C@H]3[C@@H]([C@@]45CC(=C)[C@@](C4)(CC[C@H]5[C@@]3(C[C@@H]([C@@H]1O)O)OC2=O)O)C(=O)O is a C19-gibberellin, initially identified in Phaseolus coccineus. It differs from gibberellin A1 in the presence of an extra beta-OH group at C-3 (gibbane numbering). It has a role as a plant metabolite. It is a lactone, a gibberellin monocarboxylic acid and a C19-gibberellin. It is a conjugate acid of a gibberellin A8(1-).
The molecule C12C3C4C5C1[Ti]23451234C5C1C2C3C45 C12C3C4C5C1[Ti]23451234C5C1C2C3C45 is A bis(eta(5)-cyclopentadienyl)metal(II) having Ti(II) as the metal(II) species. The parent of the class of titanonocenes. It is also related to or classified as bis(eta(5)-cyclopentadienyl)metal(II) , titanocenes .
The molecule O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C3=C(C=4C=CC=CC4C2)C=CC=C3)O)O)O)C(O)=O O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C3=C(C=4C=CC=CC4C2)C=CC=C3)O)O)O)C(O)=O is 9-phenanthryl beta-D-glucosiduronic acid. Its functional parent is 9-phenanthrol . It is also related to or classified as beta-D-glucosiduronic acid , phenanthryl beta-D-glucopyranoside .
The molecule OC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1 OC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1 is the dipeptide obtained by condensation of N-benzoyl-L-tyrosine with 4-aminobenzoic acid. Used as a noninvasive screening test for exocrine pancreatic insufficiency and to monitor the adequacy of supplemental pancreatic therapy, it is given by mouth: the amount of 4-aminobenzoic acid and its metabolites excreted in the urine is taken as a measure of the chymotrypsin-secreting activity of the pancreas. It has the role of diagnostic agent . It has the role of reagent . It has the role of indicator . It is also related to or classified as dipeptide  .
The molecule C1C[NH2+]CC[NH2+]1 C1C[NH2+]CC[NH2+]1 is A secondary aliphatic ammonium ion obtained by protonation of both amino groups of piperazine. It is a conjugate acid of piperazine . It is also related to or classified as secondary aliphatic 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)CC3=CC=NC=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)CC3=CC=NC=C3 is (3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-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 C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 is A cyclosiloxane that is the octamethyl derivative of  cyclotetrasiloxane.  It is also related to or classified as cyclosiloxane  . It is also related to or classified as organosilicon compound .
The molecule S(O)(=O)(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2OC(=C(O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O[C@@H]1O)COS(O)(=O)=O S(O)(=O)(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2OC(=C(O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O[C@@H]1O)COS(O)(=O)=O is (2R,3R,4R)-2-[(2R,3S,4R,5R,6S)-4,6-Dihydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid. It is also related to or classified as carbohydrate sulfate , disaccharide derivative .
The molecule [O-][Mo]([O-])(=O)=O [O-][Mo]([O-])(=O)=O is A divalent inorganic anion obtained by removal of both protons from molybdic acid. It has the role of Escherichia coli metabolite . It is also related to or classified as molybdenum oxoanion , divalent inorganic anion .
The molecule C1=CSC(=C1)CNC2=CC(=C(C=C2C3=NNN=N3)S(=O)(=O)N)Cl is a sulfonamide that is benzenesulfonamide which is substituted at positions 2, 4, and 5 by chlorine, (2-thienylmethyl)amino and 1H-tetrazol-5-yl groups, respectively. It is a diuretic that has been used in the management of oedema and hypertension. It has a role as a loop diuretic. It is a member of tetrazoles, a member of monochlorobenzenes, a sulfonamide and a member of thiophenes.
The molecule OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1 OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1 is A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine. It has the role of geroprotector . It has the role of antioxidant . It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of protein kinase inhibitor . It has the role of chelator . It has the role of radical scavenger . It has the role of Aurora kinase inhibitor . It has the role of plant metabolite . It has the role of phytoestrogen . It has the role of EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor . It is a conjugate acid of quercetin-7-olate .  It is also related to or classified as 7-hydroxyflavonol  . It is also related to or classified as pentahydroxyflavone .
The molecule CCCCCC/C=C\\C=C\\CC(=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 medium-chain unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3E,5Z)-dodecadienoic acid. It is a (3E,5Z)-dienoyl-CoA, a medium-chain fatty acyl-CoA and an unsaturated fatty acyl-CoA. It is a conjugate acid of a (3E,5Z)-dodecadienoyl-CoA(4-).
The molecule O=C1C2=C(O)C3=C(O)C=C(O)C=C3C=C2O[C@H]([C@@H]1C)C O=C1C2=C(O)C3=C(O)C=C(O)C=C3C=C2O[C@H]([C@@H]1C)C is Peninaphone B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@H](CCCCO1)C)[C@@H](C)CO)C CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@H](CCCCO1)C)[C@@H](C)CO)C is 4-fluoro-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(CCC(=O)O)CC(O)=O.C1CNCCN1 C(CCC(=O)O)CC(O)=O.C1CNCCN1 is A piperazinium salt obtained by combining equimolar amounts of piperazine and adipic acid. It has the role of anthelminthic drug . It has the role of antinematodal drug . It is also related to or classified as piperazinium salt .
The molecule C(CC(=O)O)C(=O)N is a dicarboxylic acid monoamide of succinic acid. It has a role as a metabolite. It derives from a succinic acid. It is a conjugate acid of a succinamate.
The molecule O=C1C2=C(OC(=C1)C)O[C@]3(C[C@H](O)[C@H]4[C@]([C@@H]3C2)(CC[C@@H]5[C@@]4([C@H](O)C[C@H](OC(=O)C)C5(C)C)C)C)C O=C1C2=C(OC(=C1)C)O[C@]3(C[C@H](O)[C@H]4[C@]([C@@H]3C2)(CC[C@@H]5[C@@]4([C@H](O)C[C@H](OC(=O)C)C5(C)C)C)C)C is 1,11-dihydroxychevalone C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCCCCC(CCCC)CO is a primary alcohol that is 1-octanol substituted by a butyl group at position 2. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is a primary alcohol, a fatty alcohol and an alkyl alcohol. It derives from a hydride of an octane.
The molecule CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2[C@H]5OC(=O)C)N3[C@@H]1O)C6=CC=CC=C6N4 is an indole alkaloid obtained by formal acetylation of the 17-hydroxy group of norajmaline. It is an acetate ester, a hemiaminal, a bridged compound, an organonitrogen heterocyclic compound, a secondary alcohol, a tertiary amino compound, a secondary amino compound, an organic heteropolycyclic compound and an indole alkaloid. It derives from a norajmaline. It is a conjugate base of a 17-O-acetylnorajmaline(1+).
The molecule O=C1C2=C(O)C3=C(O)C=C(O)C=C3C=C2O[C@H]([C@H]1C)C O=C1C2=C(O)C3=C(O)C=C(O)C=C3C=C2O[C@H]([C@H]1C)C is Peninaphone A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule NCCCCCC(O)=O NCCCCCC(O)=O is an epsilon-amino acid comprising hexanoic acid carrying an amino substituent at position C-6. Used to control postoperative bleeding, and to treat overdose effects of the thrombolytic agents streptokinase and tissue plasminogen activator. It has the role of metabolite . It has the role of antifibrinolytic drug . It has the role of hematologic agent . Its functional parent is hexanoic acid . It is a conjugate acid of 6-aminohexanoate . It is also related to or classified as epsilon-amino acid , omega-amino fatty acid .
The molecule CC(=O)CC(=O)O is a 3-oxo monocarboxylic acid that is butyric acid bearing a 3-oxo substituent. It has a role as a metabolite. It is a ketone body and a 3-oxo fatty acid. It derives from a butyric acid. It is a conjugate acid of an acetoacetate. It is a tautomer of a 3-hydroxy-3-butenoic acid.
The molecule OC(=O)\C=C/C(O)=O.CN(C)CCC(c1ccc(Br)cc1)c1ccccn1 OC(=O)\C=C/C(O)=O.CN(C)CCC(c1ccc(Br)cc1)c1ccccn1 is the maleic acid salt of brompheniramine. A histamine H1 receptor antagonist, it is used for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis. It has the role of anti-allergic agent . It is also related to or classified as maleate salt .
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)CC3=CC4=C(C=C3)OCO4 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)CC3=CC4=C(C=C3)OCO4 is N-[(3S,9R,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-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-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H+].[Cl-].CN1CCN2C(C1)c1ccccc1Cc1ccccc21 [H+].[Cl-].CN1CCN2C(C1)c1ccccc1Cc1ccccc21 is the hydrochloride salt of mianserin, a tetracyclic compound with antidepressant effects. It has the role of geroprotector . It is also related to or classified as hydrochloride .
The molecule C[C@@]1(CC(ON1C)C2=CC=C(C=C2)Cl)C3=CN=CC=C3 is a diastereoisomeric mixture of (3R,5S)- and (3R,5R)-pyrisoxazole. A novel isomeric fungicide primarily used for control of control tomato botrytis and also for fungal diseases of wheat and other crops. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It contains a (3R,5R)-pyrisoxazole and a (3R,5S)-pyrisoxazole.
The molecule NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)N2C=CC(N)=NC2=O)[C@@H](O)[C@H]1O NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)N2C=CC(N)=NC2=O)[C@@H](O)[C@H]1O is A (3'->5')-dinucleotide composed from cytidine and guanosine units. Its functional parent is guanosine . Its functional parent is 3'-CMP . It is also related to or classified as (3'->5')-dinucleotide .
The molecule OC(=O)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 OC(=O)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 is 3,5,3'-triiodothyropyruvic acid. Its functional parent is pyruvic acid . It is a conjugate acid of 3,5,3'-triiodothyropyruvate . It is also related to or classified as organoiodine compound  .
The molecule C[C@@]1(CC[C@@]2([C@@H](C1)CC[C@]3([C@H]2CCCC3=C)C)C)C=C is a carbotricyclic compound and diterpene that is tetradecahydrophenanthrene which is substituted by a methylene group at position 1, methyl groups at positions 4b, 7, and 10a, and a vinyl group at position 7 (the 4aS,4bR,7S,8aR,10aS stereoisomer). It has a role as a plant metabolite. It is a carbotricyclic compound, a diterpene and an olefinic compound.
The molecule Cc1cc(=O)[nH]c2ccccc12 Cc1cc(=O)[nH]c2ccccc12 is A quinolone that is quinolin-2(1H)-one substituted by a methyl group at position 4. It is also related to or classified as quinolone .
The molecule OC[C@H]1O[C@@H](Oc2cc3ccccc3c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc3ccccc3c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O is 9-phenanthryl beta-D-glucopyranoside. Its functional parent is 9-phenanthrol . It is also related to or classified as phenanthryl beta-D-glucopyranoside .
The molecule C(CC(C(=O)O)NC(CCC(=O)O)C(=O)O)CN C(CC(C(=O)O)NC(CCC(=O)O)C(=O)O)CN is A glutamic acid derivative in which one of the amino hydrogens of glutamic acid has been replaced by a 4-amino-1-carboxybutyl group. It has the role of plant metabolite . It is also related to or classified as glutamic acid derivative , ornithine derivative , tricarboxylic acid , non-proteinogenic alpha-amino acid .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O is A 26-carbon, straight-chain, saturated fatty acid. It is a conjugate acid of cerotate . It is also related to or classified as fatty acid 26:0  . It is also related to or classified as very long-chain fatty acid  . It is also related to or classified as straight-chain saturated fatty acid .
The molecule C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O is a nicotinamide mononucleotide that is obtained by addition of hydride to position 4 on the pyridine ring of NMN(+). It has a role as a metabolite. It derives from a NMN(+). It is a conjugate acid of a NMNH(2-).
The molecule [NH3+][C@@H](CCCCNO)C([O-])=O [NH3+][C@@H](CCCCNO)C([O-])=O is zwitterionic form of N(6)-hydroxy-L-lysine having an anionic carboxy group and a cationic amino group; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule Oc1ccc(CC([O-])=O)cc1O Oc1ccc(CC([O-])=O)cc1O is A dihydroxy monocarboxylic acid anion that is the conjugate base of (3,4-dihydroxyphenyl)acetic acid, arising from deprotonation of the carboxy group. It has the role of human metabolite . Its functional parent is phenylacetate . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F is a piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position. It has a role as a H1-receptor antagonist, an anti-allergic agent and an anticoronaviral agent. It is a member of benzimidazoles and a member of piperidines.
The molecule O=C1C2=C(O)C3=C([C@H](C(=O)OC)[C@@](O)(C)CC3)C=C2C(=O)C=4C1=C(O)C=CC4 O=C1C2=C(O)C3=C([C@H](C(=O)OC)[C@@](O)(C)CC3)C=C2C(=O)C=4C1=C(O)C=CC4 is Resomycin A. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule Cn1c(N)nc2ncc(cc12)-c1ccccc1 Cn1c(N)nc2ncc(cc12)-c1ccccc1 is an imidazopyridine that is 1H--imidazo[4,5-b]pyridine which is substituted at positions 1, 2, and 6 by methyl, amino, and phenyl groups, respectively. It is the most abundant of the mutagenic heterocyclic amines found in cooked meat and fish. It has the role of mutagen . It has the role of carcinogenic agent . It is also related to or classified as imidazopyridine , primary amino compound .
The molecule C(CCCCCCCCC)CCCCCCCCO C(CCCCCCCCC)CCCCCCCCO is A long-chain primary fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of 18 carbon atoms. It has the role of plant metabolite . It has the role of human metabolite . It has the role of algal metabolite .  It is also related to or classified as long-chain primary fatty alcohol  . It is also related to or classified as octadecanol .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[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)NC3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 is 1-cyclohexyl-3-[(3S,9S,10S)-12-[(2S)-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]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O.O.O.[Na+].NCCCC(O)(P(O)(O)=O)P(O)([O-])=O O.O.O.[Na+].NCCCC(O)(P(O)(O)=O)P(O)([O-])=O is A hydride that is the trihydrate of alendronate sodium. It has the role of EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor . It has the role of bone density conservation agent . It is also related to or classified as hydrate , organic sodium salt .
The molecule NC(COP(O)(=O)OCCNC(N)=N)C(O)=O NC(COP(O)(=O)OCCNC(N)=N)C(O)=O is A serine derivative that is serine in which the hydrogen of the hydroxy group has been replaced by a (2-carbamimidamidoethoxy)(hydroxy)phosphoryl group. It has the role of animal metabolite . It is also related to or classified as O-phosphoamino acid , guanidines , serine derivative .
The molecule C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O is a kaempferol O-glucoside that is kaempferol attached to a beta-D-glucopyranosyl moiety at position 4' via a glycosidic linkage. It has a role as a plant metabolite. It is a beta-D-glucoside, a kaempferol O-glucoside, a monosaccharide derivative, a trihydroxyflavone and a member of flavonols.
The molecule [K+].C#C[B-](C#C)(C#C)C#C [K+].C#C[B-](C#C)(C#C)C#C is potassium tetraethynylborate.  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as alkynylborate salt .
The molecule C[N@@+]1(CCC2=CC(=C(C(=C2[C@@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)CCC(=O)OCCC[N@+]4(CCC5=CC(=C(C(=C5[C@@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)OC)C is the (1S,2R,1'S,2'R)-diastereoisomer of doxacurium. It is a quaternary ammonium ion, a diester and a succinate ester. It is an enantiomer of a (1R,2S,1'R,2'S)-doxacurium.
The molecule O=C1O/C(=C\C2=CC(OC)=C(O)C(=C2)O)/C(=C1C3=CC=C(O)C=C3)O O=C1O/C(=C\C2=CC(OC)=C(O)C(=C2)O)/C(=C1C3=CC=C(O)C=C3)O is Aspulvinone R. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C[C@@H]1O[C@@H](OC[C@H]2OC(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](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[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]2OC(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](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino heptasaccharide compound consisting of a GlcNAc residue at the reducing end with a Man-alpha(1->3)-[Man-alpha(1->6)]-Man-beta(1->4)-GlcNAc moiety attached via a beta-(1->4)-linkage and two Fuc residues attached via alpha-(1->3)- and alpha-(1->6)-linkages. It is also related to or classified as glucosamine oligosaccharide , amino sugar , amino heptasaccharide .
The molecule CN1C=2C=C(C=NC2N=C1NO)C3=CC=CC=C3 CN1C=2C=C(C=NC2N=C1NO)C3=CC=CC=C3 is an imidazopyridine that is 1H--imidazo[4,5-b]pyridine which is substituted at positions 1, 2, and 6 by methyl, hydoxyamino, and phenyl groups, respectively. The active metabolite of the dietary carcinogen PhIP. It has the role of mutagen . It has the role of genotoxin . It has the role of carcinogenic agent . It has the role of neurotoxin . It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . It has the role of rat metabolite . Its functional parent is PhIP . It is also related to or classified as hydroxylamine  . It is also related to or classified as imidazopyridine .
The molecule COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)/C=C/CO is a guaiacyl lignin obtained by cyclodimerisation of coniferol. It has a role as a plant metabolite and an anti-inflammatory agent. It is a member of 1-benzofurans, a primary alcohol, a guaiacyl lignin and a member of guaiacols. It derives from a coniferol.
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OC CCCCCCCC\C=C/CCCCCCCC(=O)OC is A fatty acid methyl ester resulting from the formal condensation of the carboxy group of oleic acid with methanol. Its functional parent is oleic acid . It is also related to or classified as fatty acid methyl ester  .
The molecule O1C(CC(=O)C2=C1C=C(O)C(O)=C2O)C=3C=C(OC)C=C(O)C3 O1C(CC(=O)C2=C1C=C(O)C(O)=C2O)C=3C=C(OC)C=C(O)C3 is 5,6,7-trihydroxy-2-(3-hydroxy-5-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule NC(=O)CNCCS(O)(=O)=O NC(=O)CNCCS(O)(=O)=O is A Good's buffer substance, pKa = 6.9 at 20 degreeC. It is also related to or classified as amino sulfonic acid , ACES .
The molecule C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)[O-] is a organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of cidofovir. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a member of cidofovir anhydrous. It is a conjugate acid of a cidofovir(2-).
The molecule [H][N+]([H])(CCS([O-])(=O)=O)C(CO)(CO)CO [H][N+]([H])(CCS([O-])(=O)=O)C(CO)(CO)CO is the zwitterionic form of TES buffer. It is also related to or classified as TES .
The molecule C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O is a nitrate ester and a glucitol derivative. It has a role as a nitric oxide donor and a vasodilator agent.
The molecule O=C1O[C@@H](CC(=O)N(O)CCCC[C@@H](NC(=O)CCC(=O)O)C(=O)O[C@@H](CC(=O)N(O)CCCC[C@H](C(O[C@@H](CC(N(CCCC[C@H]1NC(=O)CCC(=O)O)O)=O)C)=O)NC(=O)CCC(=O)O)C)C O=C1O[C@@H](CC(=O)N(O)CCCC[C@@H](NC(=O)CCC(=O)O)C(=O)O[C@@H](CC(=O)N(O)CCCC[C@H](C(O[C@@H](CC(N(CCCC[C@H]1NC(=O)CCC(=O)O)O)=O)C)=O)NC(=O)CCC(=O)O)C)C is Thalabetaosamide. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O(C1=C(O)C=C(CC(O)=O)C(O)=C1)C O(C1=C(O)C=C(CC(O)=O)C(O)=C1)C is 2-(2,5-dihydroxy-4-methoxyphenyl)acetic acid.  It is also related to or classified as phenols  . It is also related to or classified as phenylacetic acids .
The molecule C([C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)N)O)C(=O)C(=O)[O-] is a member of the class of neuraminates obtained by deprotonation of the carboxy group of keto-neuraminic acid. It is a conjugate base of a keto-neuraminic acid.