anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)[C@@]4(C(=O)N(CC=C(C)C)C5=C4C=CC(=C5)OC)[C@@H]3C=C(C)C)CCC2 O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)[C@@]4(C(=O)N(CC=C(C)C)C5=C4C=CC(=C5)OC)[C@@H]3C=C(C)C)CCC2 is Spirotryprostatin C. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OP(=O)(Oc1ccc(cc1)[N+]([O-])=O)Oc1ccc(cc1)[N+]([O-])=O OP(=O)(Oc1ccc(cc1)[N+]([O-])=O)Oc1ccc(cc1)[N+]([O-])=O is bis-4-nitrophenyl phosphate. Its functional parent is 4-nitrophenol . It is also related to or classified as aryl phosphate .
The molecule [O-]C(=O)C1=CN(C2CC2)C2=CC(N3CC[NH2+]CC3)=C(F)C=C2C1=O [O-]C(=O)C1=CN(C2CC2)C2=CC(N3CC[NH2+]CC3)=C(F)C=C2C1=O is A zwitterion formed from ciprofloxacin by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule O1[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O)CO[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@H](O)[C@@H](O)[C@H](O6)CSC)O)O)O)CO O1[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O)CO[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@H](O)[C@@H](O)[C@H](O6)CSC)O)O)O)CO is A hexasaccharide derivative composed of a 5-deoxy-5-(methylsulfanyl)xylofuranose, a mannopyranose and four arabinofuranose residues in an alpha(1->4), alpha(1->5), beta(1->2), alpha(1->5) and alpha(1->5) linear sequence. It is also related to or classified as hexasaccharide derivative .
The molecule C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 is an organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins. It has a role as a prosthetic group, a coenzyme, a nutraceutical, a B vitamin, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite and a cofactor. It is a conjugate acid of a biotinate.
The molecule O1C2=C(C(=O)C(OC)=C1C3=CC(O)=C(OC)C(O)=C3)C(O)=C(OC)C(O)=C2 O1C2=C(C(=O)C(OC)=C1C3=CC(O)=C(OC)C(O)=C3)C(O)=C(OC)C(O)=C2 is 5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC1(CC([O-])=O)OC(=O)C=C1 CC1(CC([O-])=O)OC(=O)C=C1 is the conjugate base of 4-carboxymethyl-4-methylbut-2-en-1,4-olide; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule COC1=C(C=CC(=C1)/C=C/C(=O)O)[O-] is a monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. It is a conjugate base of a ferulic acid.
The molecule C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C.O.O.[Cl-].[Cl-] is a hydrate that is the dihydrate form of succinylcholine chloride. It has a role as a muscle relaxant. It contains a succinylcholine chloride (anhydrous).
The molecule O=C1O[C@](C(=O)OC)(CC2=CC(OC)=C(O)C(=C2)CC=C(C)C)C(=C1O)C3=CC=C(O)C=C3 O=C1O[C@](C(=O)OC)(CC2=CC(OC)=C(O)C(=C2)CC=C(C)C)C(=C1O)C3=CC=C(O)C=C3 is Terrephenol A. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C([H])(=O)/C=C/C=C/C=C/CC C([H])(=O)/C=C/C=C/C=C/CC is A nona-2,4,6-trienal in which all three double bonds adopt trans-configurations. It has the role of pheromone . It has the role of flavouring agent . It has the role of animal metabolite . It is also related to or classified as nona-2,4,6-trienal  .
The molecule Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1 is the organic triphosphate that is the 5'-triphosphate of (-)-carbovir. Its functional parent is (-)-carbovir . It is a conjugate acid of carbovir triphosphate(4-) . It is also related to or classified as organic triphosphate .
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 (3S,9S,10S)-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 CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C=C3O2 is an organic heterotetracyclic compound that is 5H-benzo[a]phenoxazin-5-one substituted at position 9 by a diethylamino group. It has a role as a fluorochrome and a histological dye. It is an organic heterotetracyclic compound, a cyclic ketone, an aromatic amine and a tertiary amino compound.
The molecule OCC(=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O OCC(=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O is A carbohydrate acid anion that is the conjugate base of 5-dehydro-D-gluconic acid, obtained by deprotonation of the carboxy group; 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 carbohydrate acid anion .
The molecule N12[C@](NC3=C(C1)C=NC(=N3)C)(SC(=C2C)CCOP(OP(O)(=O)O)(=O)O)[C@H](C)O N12[C@](NC3=C(C1)C=NC(=N3)C)(SC(=C2C)CCOP(OP(O)(=O)O)(=O)O)[C@H](C)O is A pyrimidinothiazolopyrimidine that is dihydrothiochrome diphosphate in which the hydrogen at position 9a has been replaced by a 2-hydroxyethyl group.  It is also related to or classified as secondary alcohol  . It is also related to or classified as pyrimidinothiazolopyrimidine , organic diphosphate .
The molecule O1C=2C(=C(O)C(OC)=C(O)C2OC)C(=O)C=C1C=3C=C(OC)C(O)=C(O)C3 O1C=2C(=C(O)C(OC)=C(O)C2OC)C(=O)C=C1C=3C=C(OC)C(O)=C(O)C3 is 5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CCc1cc(ccn1)C(N)=S CCc1cc(ccn1)C(N)=S is A thiocarboxamide that is pyridine-4-carbothioamide substituted by an ethyl group at position 2. A prodrug that undergoes metabolic activation by conversion to the corresponding S-oxide. It has the role of antitubercular agent . It has the role of antilipemic drug . It has the role of leprostatic drug . It has the role of fatty acid synthesis inhibitor . It has the role of prodrug . It is also related to or classified as pyridines , thiocarboxamide .
The molecule [C@@H]1(OC([C@H]([C@@H]1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)CO)CO[C@H]6O[C@@H]([C@H]([C@@H]6O[C@@H]7O[C@@H]([C@H]([C@@H]7O)O)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)CO [C@@H]1(OC([C@H]([C@@H]1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)CO)CO[C@H]6O[C@@H]([C@H]([C@@H]6O[C@@H]7O[C@@H]([C@H]([C@@H]7O)O)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)CO is A branched octasaccharide comprising six D-arabinofuranose and two mannopyranose units, in an assembly consisting of two arabinose residues linked alpha(1->5), with alpha-mannosyl-(1->5)-alpha-arabinosyl-(1->2)-alpha-arabinosyl trisaccharide units linked to the 3- and 5-positions of the residue distal from the reducing-end residue. It is also related to or classified as octasaccharide .
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=C(C=C3)OC 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=C(C=C3)OC is 1-[[(3R,9S,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]-3-(4-methoxyphenyl)-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O is a dTDP-sugar having 3-amino-3,6-dideoxy-alpha-D-glucose as the sugar component. It derives from a dTDP-D-glucose. It is a conjugate acid of a dTDP-3-azaniumyl-3,6-dideoxy-alpha-D-glucose(1-).
The molecule C[C@](CO)(C(=O)O)N is the L-enantiomer of 2-methylserine. It is a non-proteinogenic L-alpha-amino acid and a 2-methylserine. It is an enantiomer of a 2-methyl-D-serine. It is a tautomer of a 2-methyl-L-serine zwitterion.
The molecule O1C(C=2C(O)=CC(O)=C(OC)C2)=C(OC)C(=O)C3=C1C=C(O)C(OC)=C3O O1C(C=2C(O)=CC(O)=C(OC)C2)=C(OC)C(=O)C3=C1C=C(O)C(OC)=C3O is 5,7,2',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O=C(OC[C@@H]1OC(C)(C)OC1)CCCCCCCCC O=C(OC[C@@H]1OC(C)(C)OC1)CCCCCCCCC is Decanoic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester. It is also related to or classified as fatty acid ester  .
The molecule NC1=NC2=C(N=CN2[C@@H]2C[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C=C2)C(=O)N1 NC1=NC2=C(N=CN2[C@@H]2C[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C=C2)C(=O)N1 is an organophosphate oxoanion that is the tetraanion of carbovir triphosphate, arising from deprotonation of the four triphosphate OH groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule CN1N=C(C(\C=C2/SC(=S)NC2=O)=C1SCC1=CC=C(Cl)C=C1)C(F)(F)F CN1N=C(C(\C=C2/SC(=S)NC2=O)=C1SCC1=CC=C(Cl)C=C1)C(F)(F)F is A member of the class of pyrazoles that is 1-methyl-1H-pyrazole substituted by trifluoromethyl, (4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl, and (4-chlorobenzyl)sulfanediyl groups at positions 3, 4 and 5, respectively. It is an ADAMTS-5 inhibitor (IC50 = 1.1 muM) which prevents the degradation of aggrecan, a major component of cartilage that is lost in osteoporosis. It has the role of bone density conservation agent . It is also related to or classified as organic sulfide  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrazoles , thiazolidinone , monochlorobenzenes .
The molecule C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)[H])[H])=CC(=C1)O C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)[H])[H])=CC(=C1)O is A steroid glucosiduronic acid that is 17-epiestriol having a single beta-D-glucuronic acid residue attached at position 16. Its functional parent is 17-epiestriol . It is a conjugate acid of 17-epiestriol 16-O-(beta-D-glucuronide)(1-) . It is also related to or classified as beta-D-glucosiduronic acid , steroid glucosiduronic acid .
The molecule CC1=C(C=C(C=C1)N=C=O)C is an isocyanate that consists of phenyl isocyanate bearing two additional methyl substituents at positions 3 and 4. It has a role as a hapten.
The molecule COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1 is alfuzosin. It has the role of antineoplastic agent . It has the role of antihypertensive agent . It has the role of alpha-adrenergic antagonist . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as quinazolines , tetrahydrofuranol .
The molecule O=C1C=C(OC)[C@H](O)[C@@]([C@H]1OC2=C(O)C(=C(O)C(=C2)OC)C)(O)C O=C1C=C(OC)[C@H](O)[C@@]([C@H]1OC2=C(O)C(=C(O)C(=C2)OC)C)(O)C is Xylariacyclone A. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule Clc1ccccc1Cl Clc1ccccc1Cl is A dichlorobenzene carrying chloro substituents at positions 1 and 2. It has the role of metabolite . It has the role of hepatotoxic agent . It is also related to or classified as dichlorobenzene  .
The molecule C[C@@H]1CC[C@H](CC1=O)C(C)=C C[C@@H]1CC[C@H](CC1=O)C(C)=C is A dihydrocarvone in (R,R) configuration. It is also related to or classified as dihydrocarvone  .
The molecule O1[C@@H]([C@H]([C@@H](C1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O)CO[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)CO O1[C@@H]([C@H]([C@@H](C1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O)CO[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)CO is A pentasaccharide composed of a mannopyranose and four arabinofuranose residues in an alpha(1->5), beta(1->2), alpha(1->5) and alpha(1->5) linear sequence. It is also related to or classified as pentasaccharide .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCCCCCC(=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 polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoyl-CoA. It is a polyunsaturated fatty acyl-CoA(4-), a very long-chain acyl-CoA(4-) and a 3-substituted propionyl-CoA(4-). It is a conjugate base of a (21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoyl-CoA.
The molecule C1C(OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=C(C=C4)O is a dihydroxyflavanone that is naringenin in which the phenolic hydrogen at position 7 has been replaced by a beta-D-glucuronosyl residue. It is a dihydroxyflavanone, a beta-D-glucosiduronic acid, a polyphenol and a member of 4'-hydroxyflavanones. It derives from a naringenin.
The molecule C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CCC(=C)[C@H](O)CC1 C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CCC(=C)[C@H](O)CC1 is A germacranolide isolated from Laurus nobilis L.. It has the role of metabolite . It has the role of allergen . It is also related to or classified as germacranolide .
The molecule CCC#N CCC#N is A nitrile that is acrylonitrile in which the carbon-carbon double bond has been reduced to a single bond. It has the role of polar aprotic solvent .  It is also related to or classified as aliphatic nitrile  . It is also related to or classified as volatile organic compound .
The molecule CCSCC[C@@H](N)C(O)=O CCSCC[C@@H](N)C(O)=O is an S-ethylhomocysteine that has R-configuration at the chiral centre. It is also related to or classified as S-ethylhomocysteine  .
The molecule Oc1cccc2C(=O)C=C([O-])C(=O)c12 Oc1cccc2C(=O)C=C([O-])C(=O)c12 is the conjugate base of 2,8-dihydroxy-1,4-naphthoquinone arising from selective deprotonation of the 2-hydroxy group; major species at pH 7.3. It is also related to or classified as organic anion .
The molecule OC1=CC=C2NC=C(C3=C\C(C(=O)N3)=C3/C(=O)NC4=CC=CC=C34)C2=C1 OC1=CC=C2NC=C(C3=C\C(C(=O)N3)=C3/C(=O)NC4=CC=CC=C34)C2=C1 is A member of the class of hydroxyindoles resulting from the formal oxidative coupling between the 3-position of 1,3-dihydro-2H-indol-2-one and the 3-position of 1,3-dihydro-2H-pyrrol-2-one, which is substituted at the 5 position by a 5-hydroxy-1H-indol-3-yl group, where the newly-formed double bond has E configuration. It is a purple chromobacterial pigment that has antibacterial, antifungal, antiprotozoan, and anticancer properties. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of antifungal agent . It has the role of apoptosis inducer . It has the role of bacterial metabolite . Its functional parent is proviolacein . It is also related to or classified as pyrroles , oxindoles , olefinic compound , hydroxyindoles .
The molecule C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)O)[H])[H])=CC(=C1)O C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)O)[H])[H])=CC(=C1)O is A steroid glucosiduronic acid that is 17-epiestriol having a single beta-D-glucuronic acid residue attached at position 17. Its functional parent is 17-epiestriol . It is a conjugate acid of 17-epiestriol 17-O-(beta-D-glucuronide)(1-) . It is also related to or classified as beta-D-glucosiduronic acid , steroid glucosiduronic acid .
The molecule C1CN(CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)Cl)CC4=NOC=C4 C1CN(CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)Cl)CC4=NOC=C4 is N-[3-(3-chlorophenyl)phenyl]-1-(3-isoxazolylmethyl)-4-piperidinecarboxamide.  It is also related to or classified as organochlorine compound  . It is also related to or classified as biphenyls .
The molecule C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4 is a piperidinemonocarboxylic acid that is 4-phenylpiperidine-4-carboxylic acid in which the hydrogen attached to the nitrogen atom is substituted by a 3-cyano-3,3-diphenylpropyl group. It has a role as an antidiarrhoeal drug. It is a piperidinemonocarboxylic acid, a tertiary amine and a nitrile.
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)F)[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)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)C is 1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-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-16-yl]-3-(4-fluorophenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(=O)C1=CN(C2CC2)C2=CC(N3CC[NH2+]CC3)=C(F)C=C2C1=O OC(=O)C1=CN(C2CC2)C2=CC(N3CC[NH2+]CC3)=C(F)C=C2C1=O is A secondary ammonium ion that is the conjugate acid of ciprofloxacin resulting from the protonation of the NH group; major species at acidic pH. It is a conjugate acid of ciprofloxacin . It is also related to or classified as secondary ammonium ion  .
The molecule O=C1C2=C(O)C3=C(O)C=C2C(=O)[C@]4(C1=C[C@H](O)C(C)(C)O4)CC=C(CC=C(C3)CO)C O=C1C2=C(O)C3=C(O)C=C2C(=O)[C@]4(C1=C[C@H](O)C(C)(C)O4)CC=C(CC=C(C3)CO)C is Napyradiomycin B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1C(C=2C(O)=CC(OC)=C(O)C2)=C(OC)C(=O)C3=C1C=C(O)C(OC)=C3O O1C(C=2C(O)=CC(OC)=C(O)C2)=C(OC)C(=O)C3=C1C=C(O)C(OC)=C3O is 5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [C@@H]1(OC([C@H]([C@@H]1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO)O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CO[C@H]6O[C@@H]([C@H]([C@@H]6O[C@@H]7O[C@@H]([C@H]([C@@H]7O)O)CO)O)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O [C@@H]1(OC([C@H]([C@@H]1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]4O)O)CO)O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CO[C@H]6O[C@@H]([C@H]([C@@H]6O[C@@H]7O[C@@H]([C@H]([C@@H]7O)O)CO)O)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O is A branched octasaccharide comprising six D-arabinofuranose and two mannopyranose units, in an assembly consisting of two arabinose residues linked alpha(1->5), with alpha-arabinosyl-(1->2)-[alpha-mannosyl-(1->5)]-alpha-arabinosyl trisaccharide units linked to the 3- and 5-positions of the residue distal from the reducing-end residue. It is also related to or classified as octasaccharide .
The molecule CC(=O)C1=C(C=C2[C@@](C1=O)(C3=C(C=C(C(=C3O2)C(=O)N)O)O)C)O is a member of the class of dibenzofurans that is a potent broad spectrum antifungal agent isolated from the fungus Cercosporidium henningsii. It has a role as an antifungal agent, a phytotoxin, a fungal metabolite and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of dibenzofurans, a polyphenol, a monocarboxylic acid amide and a methyl ketone.
The molecule CC(=O)[C@H]([C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)O is dianion of 1-deoxy-D-altro-heptulose 7-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It is an organophosphate oxoanion and a ketoheptose phosphate. It is a conjugate base of a 1-deoxy-D-altro-heptulose 7-phosphate.
The molecule O=C1NC(=C\C1=C1/C(=O)NC2=CC=CC=C12)C1=CNC2=CC=CC=C12 O=C1NC(=C\C1=C1/C(=O)NC2=CC=CC=C12)C1=CNC2=CC=CC=C12 is A member of the class of oxindoles resulting from formal oxidative coupling between the 3-position of 1,3-dihydro-2H-indol-2-one and the 3-position of 1,3-dihydro-2H-pyrrol-2-one, which is substituted at the 5 position by a 1H-indol-3-yl group, where the newly-formed double bond has E configuration. It has the role of antibacterial agent . It has the role of antifungal agent . It has the role of bacterial metabolite . Its functional parent is proviolacein . It is also related to or classified as pyrroles , oxindoles , olefinic compound .
The molecule C1=CC2=C(C(=C(C=C2Br)Br)O)N=C1 C1=CC2=C(C(=C(C=C2Br)Br)O)N=C1 is 5,7-dibromo-8-quinolinol. It is also related to or classified as organohalogen compound  . It is also related to or classified as quinolines .
The molecule Nc1nc2NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O)Nc2c(=O)[nH]1 Nc1nc2NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O)Nc2c(=O)[nH]1 is tetracarboxylate anion of tetrahydropteroyltri-L-glutamic acid; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as peptide anion .
The molecule C(C#N)(C)C C(C#N)(C)C is an aliphatic nitrile that is acetonitrile in which two of the hydrogens have been replaced by methyl groups. It has the role of polar aprotic solvent .  It is also related to or classified as aliphatic nitrile  . It is also related to or classified as volatile organic compound .
The molecule C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O)O)[H])[H])=CC(=C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O)O)[H])[H])=CC(=C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O is A steroid glucosiduronic acid that is 17-epiestriol having a single beta-D-glucuronic acid residue attached at position 3. Its functional parent is 17-epiestriol . It is a conjugate acid of 17-epiestriol 3-O-(beta-D-glucuronide)(1-) . It is also related to or classified as beta-D-glucosiduronic acid , steroid glucosiduronic acid .
The molecule CC(=NCCCC[C@@H](C(=O)O)N)N is an L-lysine derivative that is L-lysine in which one of the hydrogens attached to N(6) is substituted by an acetimidoyl group It is a L-lysine derivative and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of a N(6)-acetimidoyl-L-lysinium(2+).
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=CC=C(C=C3)OC 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=CC=C(C=C3)OC is N-[[(3R,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]-4-methoxy-N-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [C@H]1(O)[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1[NH3+] [C@H]1(O)[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1[NH3+] is A 2-ammonio-2-deoxy-D-glucopyranose that has beta- configuration at the anomeric carbon. It is a conjugate acid of beta-D-glucosamine . It is also related to or classified as 2-ammonio-2-deoxy-D-glucopyranose  .
The molecule CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNS(=O)(=O)C1=CC(=C(C=C1)C2=C3C=C4CCC[N+]5=C4C(=C3OC6=C2C=C7CCCN8C7=C6CCC8)CCC5)S(=O)(=O)[O-])OC(=O)CCCCCCCCCCCCCCC.CC[NH+](CC)CC is an organic heteroheptacyclic compound and an organoammonium salt. It has a role as a fluorochrome. It contains a texas red DHPE(1-).
The molecule S([C@@]1(N(C(=O)[C@@H](SC)N(C1=O)C)C)CC2=CC=C(OC[C@H](O)C(OC)(C)C)C=C2)C S([C@@]1(N(C(=O)[C@@H](SC)N(C1=O)C)C)CC2=CC=C(OC[C@H](O)C(OC)(C)C)C=C2)C is (3S,6R)-3-[[4-[(2S)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .