anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O1[C@@]([C@@H]([C@@H](COP(O)(O)=O)O)O)([C@H](O)[C@@H](O)C[C@]1(C(O)=O)O)[H] O1[C@@]([C@@H]([C@@H](COP(O)(O)=O)O)O)([C@H](O)[C@@H](O)C[C@]1(C(O)=O)O)[H] is A ketoaldonic acid phosphate that is 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid carrying a monophosohate substituent at position 9. It has the role of bacterial metabolite . It is a conjugate acid of 3-deoxy-D-glycero-beta-D-galacto-nonulosonate 9-phosphate(3-) . It is also related to or classified as ketoaldonic acid phosphate , carbohydrate acid derivative .
The molecule CP(=O)(O)O is a one-carbon compound that is phosphonic acid in which the hydrogen attached to the phosphorus is substituted by a methyl group. It is a one-carbon compound and a member of phosphonic acids. It derives from a phosphonic acid. It is a conjugate acid of a methylphosphonate(1-).
The molecule CCCCCCCCCCCCCC(O)CC(O)=O CCCCCCCCCCCCCC(O)CC(O)=O is A long-chain fatty acid that is the 3-hydroxy derivative of palmitic acid. Its functional parent is hexadecanoic acid . It is a conjugate acid of 3-hydroxypalmitate . It is also related to or classified as 3-hydroxy fatty acid  . It is also related to or classified as hydroxypalmitic acid .
The molecule C1C[NH+]([C@@H]1C(=O)[O-])CC[C@@H](C(=O)[O-])[NH2+]CC[C@@H](C(=O)[O-])[NH3+] is an amino acid zwitterion resulting from transfer of three protons from the carboxy to the amino groups of (S,S,S)-nicotianamine. One of two major microspecies at physiological pH. It has a role as a plant metabolite. It is a tautomer of a (S,S,S)-nicotianamine.
The molecule C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O[C@@H]2C[C@@](O[C@@H]([C@@H]2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)[C@H](CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)[C@H](CO)O)O)O)O)OP(=O)(O)OCCN)O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C(=O)O)O[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)N)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)[C@@H](CO)O)O)O)O)O)O)[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H](CO1)N)O)O)O)(C(=O)O)O)[C@@H](CO)O)O)O is an oligosaccharide derivative that is a decasaccharide derivative, the oligosaccharide portion of the Proteus penneri strain 12 lipopolysaccharide (LPS) core region.
The molecule [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2O [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2O is an organic heterotetracyclic compound that is the 9- epimer of 4'-demethylpodophyllotoxin. It has the role of antineoplastic agent . It is also related to or classified as phenols  . It is also related to or classified as furonaphthodioxole  . It is also related to or classified as organic heterotetracyclic compound .
The molecule O1[C@@]([C@@H]([C@@H](CO)O)O)([C@H](O)[C@@H](O)C[C@]1(C(O)=O)O)[H] O1[C@@]([C@@H]([C@@H](CO)O)O)([C@H](O)[C@@H](O)C[C@]1(C(O)=O)O)[H] is A deaminoneuraminic acid in which the anomeric centre has beta-configuration. It has the role of bacterial metabolite . It is a conjugate acid of 3-deoxy-D-glycero-beta-D-galacto-nonulosonate . It is also related to or classified as deaminoneuraminic acid  .
The molecule CC(C)N(C(C)C)C(=O)C=CC1=CC(=C(C=C1)OC)Br CC(C)N(C(C)C)C(=O)C=CC1=CC(=C(C=C1)OC)Br is 3-(3-bromo-4-methoxyphenyl)-N,N-di(propan-2-yl)-2-propenamide. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule CC(=CCC1=C(C=CC2=C1O[C@@H]3[C@H]2COC4=C3C=CC(=C4)O)O)C is a member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 10.
The molecule CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC is a monoterpenoid indole alkaloid with cytotoxic activity. It has a role as an antineoplastic agent and a metabolite. It is an alkaloid ester, a monoterpenoid indole alkaloid, a methyl ester and an organic heteropentacyclic compound. It is a conjugate base of a tabersoninium(1+).
The molecule O=C1N2[C@@H](C(=O)N[C@@H]1CC3=CC=CC=C3)C[C@@H](C2)O O=C1N2[C@@H](C(=O)N[C@@H]1CC3=CC=CC=C3)C[C@@H](C2)O is Cyclo(D)-trans-4-OH-Pro-(D)-Phe. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CN1C=NC(=C1C[C@@H](C(=O)[O-])[NH3+])S is an L-alpha-amino acid zwitterion formed from ovothiol A by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It derives from a L-histidine zwitterion. It is a tautomer of an ovothiol A.
The molecule S(OC=1C=C(C=2OC3=C(C(=O)C2)C=CC(O)=C3)C=CC1OC)(O)(=O)=O S(OC=1C=C(C=2OC3=C(C(=O)C2)C=CC(O)=C3)C=CC1OC)(O)(=O)=O is [5-(7-hydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]oxidanesulfonic acid. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [O-]C(=O)c1ccco1 [O-]C(=O)c1ccco1 is A furancarboxylate that is the conjugate base of 2-furoic acid. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human xenobiotic metabolite . It has the role of bacterial xenobiotic metabolite . It is also related to or classified as furancarboxylate .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C([O-])=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C([O-])=O is A 4-hydroxy-3-polyprenylbenzoate in which the polyprenyl chain contains 6 prenyl units; major species at pH 7.3. It is also related to or classified as 4-hydroxy-3-polyprenylbenzoate .
The molecule CC(=CCNC1=NC=NC2=C1NC=N2)C is a 6-isopentenylaminopurine in which has the isopentenyl double bond is located between the 2 and 3 positions of the isopentenyl group. It has a role as a cytokinin.
The molecule CC(C)CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C is an O-isovalerylcarnitine that is the 3-methylbutanoyl (isovaleryl) derivative of L-carnitine. It has a role as a bone density conservation agent. It is an O-isovalerylcarnitine and a methyl-branched fatty acyl-L-carnitine.
The molecule S(O[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@H](NC(=O)C)[C@H](O[C@H]3[C@@H](O)[C@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](OS(O)(=O)=O)[C@H]5O)CO)[C@H](O)[C@H]4NC(=O)C)CO)[C@H](O[C@@H]3O[C@@H]6[C@H](O)[C@@H](O[C@@H]([C@H]6O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](OS(O)(=O)=O)[C@H]9O)CO)[C@H](O)[C@H]8NC(=O)C)CO)CO)O[C@H]%10[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]%10CO)O[C@H]%11[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]%11CO[C@@H]%12O[C@H]([C@@H](O)[C@@H](O)[C@@H]%12O)C)O)CO)O[C@@H]2CO)O[C@@H]([C@@H]1O)CO)(O)(=O)=O S(O[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@H](NC(=O)C)[C@H](O[C@H]3[C@@H](O)[C@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](OS(O)(=O)=O)[C@H]5O)CO)[C@H](O)[C@H]4NC(=O)C)CO)[C@H](O[C@@H]3O[C@@H]6[C@H](O)[C@@H](O[C@@H]([C@H]6O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](OS(O)(=O)=O)[C@H]9O)CO)[C@H](O)[C@H]8NC(=O)C)CO)CO)O[C@H]%10[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]%10CO)O[C@H]%11[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]%11CO[C@@H]%12O[C@H]([C@@H](O)[C@@H](O)[C@@H]%12O)C)O)CO)O[C@@H]2CO)O[C@@H]([C@@H]1O)CO)(O)(=O)=O is [(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule C1C=C[C@H]([C@H](C1=O)N)C(=O)O is a 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid in which both stereocentres have R-configuration. It is an enantiomer of a (1S,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid. It is a tautomer of a (1R,6R)-6-ammonio-5-oxocyclohex-2-ene-1-carboxylate.
The molecule CCCCCCCCCC=C is an alkene that is undecane containing one double bond located at position 1. It has a role as a plant metabolite.
The molecule C[C@@H](CCCCC#C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N is a lipopeptide consisting of a 2-methyloct-7-ynoyl moiety attached to a linear tetrapeptide comprising of N-methyl-L-phenylalanyl and N-methyl-L-valine units. It is isolated from a Panamanian strain of the marine cyanobacterium Lyngbya majuscula and displays antimalarial activity. It has a role as a metabolite and an antimalarial. It is a lipopeptide and a terminal acetylenic compound.
The molecule [H][C@@]12CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])CC=O [H][C@@]12CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])CC=O is pregnan-21-al.   It is also related to or classified as C21-steroid  . It is also related to or classified as steroid aldehyde , 21-oxo steroid .
The molecule C1=C(NC=N1)CC(=O)C(=O)[O-] is the conjugate base of 3-(imidazol-5-yl)pyruvic acid; major species at pH 7.3. It is a conjugate base of a 3-(imidazol-5-yl)pyruvic acid.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O[C@@H]4[C@@H]([C@@H](O[C@@H]([C@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)O[C@@H]8[C@H](O[C@H]([C@@H]([C@H]8O)NC(=O)C)O[C@@H]9[C@H](OC([C@@H]([C@H]9O)NC(=O)C)O)CO)CO)O)CO)CO)O)O is an amino nonasaccharide consisting of a tetrasaccharide chain of N-acetyl-beta-D-glucosamine, beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues, all linked sequentially (1->4), to the beta-D-mannose residue of which are also linked N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl and N-acetyl-beta-D-glucosaminyl-(1->4)-[N-acetyl-beta-D-glucosaminyl-(1->2)]-alpha-D-mannosyl units via (1->6) and (1->3) linkages respectively. It is an amino nonasaccharide and a glucosamine oligosaccharide.
The molecule O=C1C2=C3OC(=CC(C3=C(C(O)(C(=O)OC)C4OC(C(O)C(C4)OC)C)C=C2C(=O)C=5C1=C(O)C(=CC5)C6OC(C(OC7OC(C(O)C(C7)OC)C)C(C6)(NC)C)C)=O)C8(OC8C)C O=C1C2=C3OC(=CC(C3=C(C(O)(C(=O)OC)C4OC(C(O)C(C4)OC)C)C=C2C(=O)C=5C1=C(O)C(=CC5)C6OC(C(OC7OC(C(O)C(C7)OC)C)C(C6)(NC)C)C)=O)C8(OC8C)C is Altromycin C. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC)OC(=O)C is a 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and capryloyl. It is a 1-alkyl-2-acetyl-3-acyl-sn-glycerol and an octanoate ester. It derives from a 1-O-palmityl-2-acetyl-sn-glycerol.
The molecule CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O is the 5-phospho derivative of 1-deoxy-D-xylulose. It has a role as an Escherichia coli metabolite. It derives from a D-xylulose. It is a conjugate acid of a 1-deoxy-D-xylulose 5-phosphate(2-).
The molecule [H][C@]1(OC(O)(C[C@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(OC(O)(C[C@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO is A ketoaldonic acid obtained formally by deamination of neuraminic acid. Although not containing nitrogen it is regarded as being a member of the sialic acid family. It is also related to or classified as ketoaldonic acid .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C)C C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C)C is 2-methoxy-N-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=C(C(=O)NC(=O)C1=N)C2=C(NC(=O)C(=C2)N)O is a member of the class of pyridone that is a dimeric blue pigment biosynthesised from L-glutamine. It has a role as a bacterial metabolite and a biological pigment. It is a pyridone, a ring assembly, a dicarboximide and an enamine. It derives from a L-glutamine.
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC is an ammonium ion that is the conjugate acid of (S)-1,2-distearoylphosphatidylethanolamine, arising from protonation of the amino group. It is a conjugate acid of a (S)-1,2-distearoylphosphatidylethanolamine.
The molecule C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O)N is a tripeptide composed of two L-alanyl units and an L-serine joined by peptide linkages. It has a role as a metabolite. It derives from a L-alanine and a L-serine.
The molecule CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O is a N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 23 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.
The molecule O1[C@@](CCC2=C1C=C(OC)C=C2)(C3=CC=4OCOC4C=C3O)[H] O1[C@@](CCC2=C1C=C(OC)C=C2)(C3=CC=4OCOC4C=C3O)[H] is 2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule OC[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O OC[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O is A D-tagatopyranose with an alpha-configuration at the anomeric center. It is also related to or classified as D-tagatopyranose  .
The molecule C[Si](C)(C)CCCS(=O)(=O)O is an alkanesulfonic acid that is propanesulfonic acid substituted at position 3 by a trimethylsilyl group. It is an organosilicon compound and an alkanesulfonic acid.
The molecule O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O is A D-glucopyranuronic acid in which the anomeric centre has alpha-configuration. It is a conjugate acid of alpha-D-glucuronate . It is also related to or classified as D-glucopyranuronic acid  .
The molecule C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)[O-] is an organophosphate oxoanion that is the conjugate base of 3',5'-cyclic AMP arising from deprotonation of the free phosphate OH group; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a 3',5'-cyclic AMP.
The molecule CCCCNC(=O)[C@H](CS)NC(=O)[C@@H](C1=CC=CC=C1)N is a dipeptide consisting of N-butyl-L-cysteinamide having an (R)-2-amino-2-phenylacetyl residue attached to its alpha-amino nitrogen. It is a dipeptide and a L-cysteine derivative.
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O[C@@H]7[C@H](OC([C@@H]([C@H]7O)O)O)CO)CO)O)CO)CO)O)CO)CO)O)O)O)O)O is a seven-membered glucosamine oligosaccharide made up from one glucose, one fucose, two glucosamine and three galactose units in a linear sequence, linked as shown.
The molecule O1C(C(O)C(O)C(O)C1OC=2C3=C(OC(=O)C=C3C4=CC(O)=C(O)C=C4)C=C(OC)C2)COC5OCC(O)(C5O)CO O1C(C(O)C(O)C(O)C1OC=2C3=C(OC(=O)C=C3C4=CC(O)=C(O)C=C4)C=C(OC)C2)COC5OCC(O)(C5O)CO is NCGC00169437-01.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)C(O)O[C@H](CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)C(O)O[C@H](CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O is A galactobiose comprising an alpha-D-galactopyranose residue and a D-galactopyranose residue joined via an alpha-(1->3) linkage. It has the role of carbohydrate allergen . It has the role of epitope . It has the role of antigen . It is also related to or classified as galactobiose .
The molecule C[C@H](CCCCCCCCCCCCCCCCCC[C@H](CC(=O)O)O)O is a dihydroxy monocarboxylic acid that is tricosanoic acid in which the pro-R hydrogens at positions 3 and 22 are replaced by hydroxy groups. It is a very long-chain fatty acid, an (omega-1)-hydroxy fatty acid, a 3-hydroxy carboxylic acid and a dihydroxy monocarboxylic acid. It derives from a tricosanoic acid.
The molecule C1[C@H](N=C(S1)C2=CNC3=CC=CC=C32)C(=O)O is the (R)-enantiomer of dihydrocamalexic acid. It is a conjugate acid of a (R)-dihydrocamalexate. It is an enantiomer of a (S)-dihydrocamalexic acid.
The molecule O=C1NC=CC=C1C#N O=C1NC=CC=C1C#N is 3-cyano-2-pyridone. It is also related to or classified as nitrile  . It is also related to or classified as pyridines .
The molecule CC1(C2CCC(C2)C1=O)C is a cyclic terpene ketone that is norcamphor carrying two methyl substituents at position 3. It is a bridged compound and a cyclic terpene ketone.
The molecule CC(C(C(C(C=N)O)O)O)O is a tetrol consisting of 1-iminohexane with four hydroxy substituents placed at positions 2, 3, 4 and 5. It is a tetrol and an aldimine. It derives from a hydride of a hexane.
The molecule CC1=C(C=NN1C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)OC CC1=C(C=NN1C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)OC is 5-methyl-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) ester. It is also related to or classified as pyrazoles , ring assembly .
The molecule C(C(=O)O)C(C(=O)O)(O)C(C)C C(C(=O)O)C(C(=O)O)(O)C(C)C is A dicarboxylic acid that is malic acid (2-hydroxysuccinic acid) in which the hydrogen at position 2 is substituted by an isopropyl group. It has the role of metabolite . Its functional parent is succinic acid . It is a conjugate acid of 2-isopropylmalate . It is a conjugate acid of 2-isopropylmalate(2-) .  It is also related to or classified as 2-hydroxy carboxylic acid  . It is also related to or classified as dicarboxylic acid , 3-hydroxy carboxylic acid .
The molecule S(OC1C(OC)CC(CC1)CC(C2OC(=O)C3N(CCCC3)C(=O)C(=O)[C@@]4(OC(CCC4C)CC(OC)C(C)=CC=CC=CC(CC(C(=O)C(OC)C(O)C(=CC(C(=O)C2)C)C)C)C)O)C)(O)(=O)=O S(OC1C(OC)CC(CC1)CC(C2OC(=O)C3N(CCCC3)C(=O)C(=O)[C@@]4(OC(CCC4C)CC(OC)C(C)=CC=CC=CC(CC(C(=O)C(OC)C(O)C(=CC(C(=O)C2)C)C)C)C)O)C)(O)(=O)=O is (4-{2-[(1R,16Z,24E,26E,28Z)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.0,]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl}-2-methoxycyclohexyl)oxidanesulfonic acid. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule O=C1C2=C(N(C=3C1=CC=CC3)C)C=CC=C2O O=C1C2=C(N(C=3C1=CC=CC3)C)C=CC=C2O is 1-Hydroxy-10-methylacridone. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule COC1=CC(=CC(=C1)O)/C=C/C2=CC=C(C=C2)O is a stilbenoid that is trans-resveratrol in which one of the meta-hydroxy groups is converted to the corresponding methyl ether. It derives from a trans-resveratrol.
The molecule O(C=1C=C(CCO)C=CC1O)C O(C=1C=C(CCO)C=CC1O)C is (4-Hydroxy-3-methoxyphenyl)ethanol. 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]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[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]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[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]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino octasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc in which the mannosyl group is substituted at position 3 by a beta-D-GlcNAc-(1->2)-alpha-D-Man group and at position 6 by an alpha-D-Man-(1->6)-alpha-D-Man group, while the D-GlcNAc residue at the reducing end is substituted at position 6 by an alpha-L-Fuc residue. It is also related to or classified as glucosamine oligosaccharide , amino octasaccharide .
The molecule N[C@@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(O)=O N[C@@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(O)=O is A dipeptide consisting of an L-aspartyl residue attached to L-arginine via the beta-carboxy group. It is also related to or classified as dipeptide  .
The molecule O1[C@@H](C[C@H]([C@@]2([C@@]3([C@@](CC2)(/C(/CCC3)=C/C=C\4/C[C@@H](O)CCC4=C)[H])C)[H])C)C[C@@](O)(C1O)C O1[C@@H](C[C@H]([C@@]2([C@@]3([C@@](CC2)(/C(/CCC3)=C/C=C\4/C[C@@H](O)CCC4=C)[H])C)[H])C)C[C@@](O)(C1O)C is (23S,25R)-25-hydroxyvitamin D3 26,23-lactol / (23S,25R)-25-hydroxycholecalciferol 26,23-lactol. It is also related to or classified as vitamin D .
The molecule O(C(=O)C(C)C)CC1=CC=CC=C1 O(C(=O)C(C)C)CC1=CC=CC=C1 is Phenylmethyl 2-methylpropanoate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule C1[C@@]2([C@@]([C@@]3([C@](C[C@H](OS([O-])(=O)=O)CC3)(C1)[H])C)(CC[C@@]4(C(CC[C@@]24[H])=O)C)[H])[H] C1[C@@]2([C@@]([C@@]3([C@](C[C@H](OS([O-])(=O)=O)CC3)(C1)[H])C)(CC[C@@]4(C(CC[C@@]24[H])=O)C)[H])[H] is A steroid sulfate oxoanion that is the conjugate base of androsterone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is also related to or classified as steroid sulfate oxoanion .
The molecule CCN1C2=CC3=C(C=C2C(=CC1(C)C)C)/C(=C/C=C/C4=[N+](C5=C(C4(C)CCCC(=O)O)C=C(C=C5)S(=O)(=O)[O-])CCCS(=O)(=O)[O-])/C=C(O3)C6=CC=CC=C6 is an anionic C3 cyanine-type compound having indoleinine and dihydropyrano[3,2-g]quinoline groups at either end. It has a role as a fluorochrome.
The molecule CN(C)c1ccc(cc1)N=Nc1ccc(cc1)C(=O)ON1C(=O)CCC1=O CN(C)c1ccc(cc1)N=Nc1ccc(cc1)C(=O)ON1C(=O)CCC1=O is dabcyl SE dye. It has the role of fluorochrome . It is also related to or classified as pyrrolidinone , monoazo compound .
The molecule [H]C(=C([H])C1=CC=CO1)C(=O)OCC [H]C(=C([H])C1=CC=CO1)C(=O)OCC is A member of the class of furans that is furan substituted by a 3-ethoxy-3-oxoprop-1-en-1-yl group at position 2. It is also related to or classified as ethyl ester  .  It is also related to or classified as enoate ester  . It is also related to or classified as furans .
The molecule C1[C@H]2[C@@H]([C@H](O[C@@H]1O2)/C=C/[C@H](CCC(CC)O)O)C/C=C\CCCC(O)=O C1[C@H]2[C@@H]([C@H](O[C@@H]1O2)/C=C/[C@H](CCC(CC)O)O)C/C=C\CCCC(O)=O is A thromboxane A that is thromboxane A2 carrying an additional hydroxy substituent at position 18. It has the role of human xenobiotic metabolite . Its functional parent is thromboxane A2 . It is a conjugate acid of 18-hydroxythromboxane A2(1-) . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as diol  .  It is also related to or classified as thromboxanes A  . It is also related to or classified as epoxy monocarboxylic acid .
The molecule CC1=C(C(=NO1)C2=CC=CC=C2)C3=NC(=NC=C3)N is a member of the class of isoxazoles carrying phenyl, 2-aminopyrimidin-4-yl and methyl substituents at positions 3, 4 and 5 respectively. It is a member of isoxazoles and an aminopyrimidine.
The molecule [C@H](O)(C(CO)=O)[C@@H]([C@H](CO)O)O [C@H](O)(C(CO)=O)[C@@H]([C@H](CO)O)O is the straight-chain keto form of L-tagatose. It has the role of bacterial xenobiotic metabolite . It is also related to or classified as L-tagatose .
The molecule C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O is D-fuconic acid. It is a conjugate acid of D-fuconate . It is also related to or classified as fuconic acid .
The molecule CC(=C/C=C/C(=C/C)/C)C CC(=C/C=C/C(=C/C)/C)C is an ocimene that consists of octa-2,4,6-triene bearing methyl substituents at positions 2 and 6 (the 4E,6E-isomer). It has the role of semiochemical . It is also related to or classified as ocimene .