anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COc1cc(\C=C\C=O)cc(O)c1O COc1cc(\C=C\C=O)cc(O)c1O is 5-Hydroxyconiferaldehyde. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C(CCCCCCC)(=O)N[C@H](C(O)=O)O C(CCCCCCC)(=O)N[C@H](C(O)=O)O is an N-acyl-(2S)-hydroxyglycine resulting from the formal condensation of octanoic acid (caprylic acid) with the amino group of (2S)-hydroxyglycine. Its functional parent is octanoic acid . It is a conjugate acid of N-octanoyl-(2S)-hydroxyglycinate . It is also related to or classified as N-acyl-(2S)-hydroxyglycine  .
The molecule [Li]C(=C)OCC [Li]C(=C)OCC is A vinyllithium compound bearing an ethoxy group at the 1-position. It is also related to or classified as vinyllithium compound .
The molecule O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)[C@@]4(NC=5C=C(OC)C=CC5C4=O)[C@@H]3C=C(C)C)CCC2 O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)[C@@]4(NC=5C=C(OC)C=CC5C4=O)[C@@H]3C=C(C)C)CCC2 is (3R,4S,5S,6S,9S)-3,4-dihydroxy-6'-methoxy-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,2'-1H-indole]-2,3',8-trione. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN=C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O[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)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)NC(=O)C)O)NC(=O)C)OCCCCCCCCCCCCCCCC is an N-glycosylated dialkylglycerophosphoethanolamine in which the dialkylglycerophosphoethanolamine is 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine and the glycosylating saccharide is the branched nonasaccharide alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc, the GlcNAc residue at the reducing end of which is in the ring-opened form. It has a role as a neoglycolipid probe. It derives from a 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine.
The molecule [O-]S([S-])(=O)=O [O-]S([S-])(=O)=O is A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid. It has the role of human metabolite . It is also related to or classified as sulfur oxoanion , sulfur oxide , divalent inorganic anion .
The molecule C(CCCCCCC)(=O)N[C@H](C([O-])=O)O C(CCCCCCC)(=O)N[C@H](C([O-])=O)O is an N-acyl-(2S)-hydroxyglycinate resulting from the deprotonation of the carboxy group of N-octanoyl-(2S)-hydroxyglycine. The major species at pH 7.3. It is also related to or classified as N-acyl-(2S)-hydroxyglycinate  .
The molecule C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])N is an alpha-amino-acid anion that is the conjugate base of tryptophan, arising from deprotonation of the carboxy group. It is a conjugate base of a tryptophan.
The molecule [H][C@@]1(O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@]([H])(O[C@@H]2O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)C[C@@](O)(O[C@]3([H])[C@H](O)CO)C(O)=O)O[C@]([H])([C@@H](O)CO)[C@H]2O)[C@@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO [H][C@@]1(O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@]([H])(O[C@@H]2O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)C[C@@](O)(O[C@]3([H])[C@H](O)CO)C(O)=O)O[C@]([H])([C@@H](O)CO)[C@H]2O)[C@@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO is A linear tetrasaccharide consisting of three L-glycero-alpha-D-manno-heptosyl residues and a 3-deoxy-alpha-D-manno-oct-2-ulosonic acid (Kdo) residue linked sequentially (1->2), (1->2) and (1->5); corresponds to the tetrasaccharide epitope from Haemophilus influenzae MAHI 3. It has the role of epitope . It is also related to or classified as tetrasaccharide  .
The molecule O=C1N[C@H](C(=O)N[C@H]1[C@H](CC)C)CO O=C1N[C@H](C(=O)N[C@H]1[C@H](CC)C)CO is Cyclo-(Ile-Ser). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [3He] is the stable isotope of helium with relative atomic mass 3.016029. The least abundant (0.000137 atom percent) isotope of naturally occurring helium. It contains a helion.
The molecule [NH3+]Cc1ccccc1 [NH3+]Cc1ccccc1 is the conjugate acid of benzylamine; major product at pH 7.3. It is a conjugate acid of benzylamine . It is also related to or classified as ammonium ion derivative .
The molecule C(/C(=C/C(C(=O)O)=O)/C(=O)O)C(O)=O C(/C(=C/C(C(=O)O)=O)/C(=O)O)C(O)=O is (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid. It is a conjugate acid of (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylate .  It is also related to or classified as enone  . It is also related to or classified as tricarboxylic acid .
The molecule CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C is an organic heterotricyclic compound that is 1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene substituted by methyl groups at positions 4, 6, 6, 7, 8 and 8 respectively. It is a synthetic musk used as a fragrance in cosmetics. It has a role as a fragrance. It is a member of isochromenes and an organic heterotricyclic compound.
The molecule C(/C(=C/C(C(=O)[O-])=O)/C(=O)[O-])C([O-])=O C(/C(=C/C(C(=O)[O-])=O)/C(=O)[O-])C([O-])=O is A tricarboxylic acid trianion resulting from the deprotonation of all three carboxy groups of(2Z)-4-oxobut-2-ene-1,2,4-tricarboxylate, The major species at pH 7.3. It is also related to or classified as tricarboxylic acid trianion .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@@H](OS([O-])(=O)=O)[C@@H](CO)OC1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CC(=O)N[C@@H]1[C@@H](O)[C@@H](OS([O-])(=O)=O)[C@@H](CO)OC1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O is trianion of UDP-N-acetyl-D-galactosamine 4-sulfate arising from deprotonation of the sulfate and phosphate OH groups; major species at pH 7.3. It is also related to or classified as organosulfate oxoanion  . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O is a methyl-branched fatty acid that is tricosanoic acid substituted by a methyl group at position 22. It has a role as a mammalian metabolite. It is a branched-chain saturated fatty acid, a methyl-branched fatty acid and a long-chain fatty acid. It derives from a tricosanoic acid.
The molecule O=C1C=2C(OC(=C1)C)=C(C3=CC(OC)=CC(=C3C2O)OC)C4=C(O)C=CC(=C4)C=5C(=O)NCC5CC6=CC(OC)=C(O)C=C6 O=C1C=2C(OC(=C1)C)=C(C3=CC(OC)=CC(=C3C2O)OC)C4=C(O)C=CC(=C4)C=5C(=O)NCC5CC6=CC(OC)=C(O)C=C6 is Carbonarin J. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule OC1c2ccccc2-c2ccccc12 OC1c2ccccc2-c2ccccc12 is A member of the class of  hydroxyfluorenes that is 9H-fluorene substituted by a hydroxy group at position 9 (the non-aromatic carbon). It has the role of animal metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as hydroxyfluorenes .
The molecule O=C1OC(C2=CN=CC=C2)=CC3=C1[C@H](O)[C@@]4(C(=C[C@H](O)[C@H]5[C@]4(CC[C@@H]6[C@@]57CO[C@@](C6(C)C)(O)CC7)C)C)O3 O=C1OC(C2=CN=CC=C2)=CC3=C1[C@H](O)[C@@]4(C(=C[C@H](O)[C@H]5[C@]4(CC[C@@H]6[C@@]57CO[C@@](C6(C)C)(O)CC7)C)C)O3 is 18-hydroxydecaturin B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C1NC(C(=O)N2C1(O)CCC2)C(O)C O=C1NC(C(=O)N2C1(O)CCC2)C(O)C is Soboliferamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC1=CC[C@@]23[C@H]1[C@@H]4[C@@H](CC[C@@]2(O3)C)C(=C)C(=O)O4 is an organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl group in which the double bond in the 7-membered ring has been epoxidised and in which the hydroxy group and the carboxy group have undergone formal condensation to give the corresponding gamma-lactone. It is found in Artemisia glabella. Arglabin-DMA HCl, the hydrochloride salt of the adduct resulting from the conjugate addition of dimethylamine to the ene-lactone moiety, has been successfully used in Khazakhstan for the treatment of breast, colon, ovarian and lung cancers. It has a role as an antineoplastic agent and a metabolite. It is an organic heterotetracyclic compound, a gamma-lactone, an epoxide and a sesquiterpene lactone.
The molecule [NH3+]\C(=C/c1c[nH]c2ccccc12)C([O-])=O [NH3+]\C(=C/c1c[nH]c2ccccc12)C([O-])=O is an amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of alpha,beta-didehydrotryptophan; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule C(CCCCC)(=O)N[C@H](C(O)=O)O C(CCCCC)(=O)N[C@H](C(O)=O)O is an N-acyl-(2S)-hydroxyglycine resulting from the formal condensation of hexanoic acid (caproic acid) with the amino group of (2S)-hydroxyglycine. Its functional parent is hexanoic acid . It is a conjugate acid of N-hexanoyl-(2S)-hydroxyglycinate . It is also related to or classified as N-acyl-(2S)-hydroxyglycine  .
The molecule OC1N=C(c2ccccc2F)c2cc(Cl)ccc2N(CCC#N)C1=O OC1N=C(c2ccccc2F)c2cc(Cl)ccc2N(CCC#N)C1=O is A 1,4-benzodiazepinone compound having a 2-cyanoethyl substituent at the 1-position, a hydroxy substituent at the 3-position, a 2-fluorophenyl group at the 5-position and a chloro substituent at the 7-position, it has general properties similar to those of diazepam and has been used for the short-term management of sleep disorders. It has the role of anticonvulsant . It has the role of sedative .  It is also related to or classified as organochlorine compound  . It is also related to or classified as 1,4-benzodiazepinone .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O)O)O)O)CO)O)O is a branched amino trisaccharide consisting of N-acetyl-beta-D-galactosamine having 6-O-sulfo-beta-D-glucopyranosyl and N-acetyl-beta-D-galactosaminyl residues attached at the 3- and 6-positions respectively. It is an oligosaccharide sulfate and an amino trisaccharide. It is a conjugate acid of a N-acetyl-beta-D-galactosaminyl-(1->6)-[6-O-sulfonato-beta-D-glucosyl-(1->3)]-N-acetyl-beta-D-galactosamine.
The molecule C(CCCCC)(=O)N[C@H](C([O-])=O)O C(CCCCC)(=O)N[C@H](C([O-])=O)O is an N-acyl-(2S)-hydroxyglycinate resulting from the deprotonation of the carboxy group of N-hexanoyl-(2S)-hydroxyglycine. The major species at pH 7.3. It is also related to or classified as N-acyl-(2S)-hydroxyglycinate  .
The molecule C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(O)ccc2cc2c1nc(=O)[nH]c2=O)C(O)=O C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(O)ccc2cc2c1nc(=O)[nH]c2=O)C(O)=O is the fragment of coenzyme F420 remaining after formal hydrolytic removal of all of the glutamate residues. Its functional parent is 2-phospho-L-lactic acid . It is a conjugate acid of F420-0(2-) . It is a conjugate acid of F420-0(3-) . It is also related to or classified as dialkyl phosphate , monocarboxylic acid , ribitol phosphate , pyrimidoquinolines .
The molecule CCCCCC(=O)O[C@H]1CC(C[C@@H]2[C@@]13[C@@H](C[C@@]4([C@@]2(CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)O[C@H]3O)C)O)(C)C is a triterpenoid saponin that consists of anagalligenin A substituted by a caproyl group at position 22 and a beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-alpha-L-arabinopyranosyl moiety at position 3 via a glycosidic linkage. It is isolated from the whole plants of Lysimachia capillipes and has been shown to exhibit potent cytotoxicity against human A-2780 cells. It has a role as an antineoplastic agent and a plant metabolite. It is a tetrasaccharide derivative, a hexacyclic triterpenoid, a bridged compound, a lactol, an alpha-L-arabinopyranoside, a cyclic ether, a diol, a secondary alcohol, a triterpenoid saponin and a hexanoate ester. It derives from an anagalligenin A. It derives from a hydride of an oleanane.
The molecule CC(C)(c1ccc(O)cc1)c1ccc(O)c(O)c1 CC(C)(c1ccc(O)cc1)c1ccc(O)c(O)c1 is A bisphenol (methylenediphenol) having hydroxy functions at C-3, C-4 and C-4', and gem-dimethyl groups on the methylene bridge. Its functional parent is bisphenol A . It is also related to or classified as bisphenol .
The molecule C[C@H](OP([O-])(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(O)ccc2cc2c1nc(=O)[nH]c2=O)C([O-])=O C[C@H](OP([O-])(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(O)ccc2cc2c1nc(=O)[nH]c2=O)C([O-])=O is the dianion of the fragment of coenzyme F420 remaining after formal hydrolytic removal of all of the glutamate residues. Its functional parent is 2-phospho-L-lactic acid .  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as ribitol phosphate , dialkyl phosphate anion , pyrimidoquinolines .
The molecule [O-]C(=O)C(=[NH2+])Cc1c[nH]c2ccccc12 [O-]C(=O)C(=[NH2+])Cc1c[nH]c2ccccc12 is zwitterionic imine tautomer of alpha,beta-didehydrotryptophan. It is a conjugate acid of 2-imino-3-(indol-3-yl)propanoate . It is also related to or classified as zwitterion  .
The molecule C([C@@H](C(=O)O)N)O is the L-enantiomer of serine. It has a role as a human metabolite, an algal metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a serine family amino acid, a proteinogenic amino acid, a L-alpha-amino acid and a serine. It is a conjugate base of a L-serinium. It is a conjugate acid of a L-serinate. It is an enantiomer of a D-serine. It is a tautomer of a L-serine zwitterion.
The molecule C/C(=C/C=O)/CO is an enal that is 3-methylbut-2-enal carrying a hydroxy substituent at position 4 (the Z-geoisomer. It is an enal and a primary allylic alcohol.
The molecule C=1N(C(NC(C1)=O)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COS(=O)(=O)O)OS(=O)(=O)O)O)NC(=O)C)(=O)O)(=O)O C=1N(C(NC(C1)=O)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COS(=O)(=O)O)OS(=O)(=O)O)O)NC(=O)C)(=O)O)(=O)O is A UDP-N-acetyl-D-galactosamine 4,6-bissulfate in which the anomeric centre of the galactosamine fragment has alpha-configuration. It is a conjugate acid of UDP-N-acetyl-alpha-D-galactosamine 4,6-bissulfate(4-) . It is also related to or classified as UDP-N-acetyl-D-galactosamine 4,6-bissulfate  .
The molecule C1CC(=O)CC1C(=O)[O-] is a 4-oxo monocarboxylic acid anion that is the conjugate base of 3-oxocyclopentanecarboxylic acid, obtained by deprotonation of the carboxy group. It is a conjugate base of a 3-oxocyclopentanecarboxylic acid.
The molecule CC1=C(C(=C2C(=C1O)C(=O)C(=CO2)CC3=CC=C(C=C3)OC)C)O is a homoisoflavonoid that is 4H-1-benzopyran-4-one substituted by hydroxy groups at positions 5 and 7, methyl groups at positions 6 and 8 and a (4-methoxyphenyl)methyl group at position 3 respectively. It has a role as a plant metabolite. It is a homoisoflavonoid, a member of resorcinols and a monomethoxybenzene.
The molecule O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC=CC6C5C[C@@H]4CC3)C)(CC[C@@H]2OC1)C O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC=CC6C5C[C@@H]4CC3)C)(CC[C@@H]2OC1)C is Penerpene F. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC is A phosphatidylinositol mannoside having two alpha-D-mannosyl residues attached at the 2- and 6-positions of the inositol and a 1,2-di-O-hexadecanoyl-sn-glycero-3-phosphono group at the 1-position. It has the role of epitope . It is also related to or classified as 2,6-O-bis(alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol  .
The molecule NCCCCNCCCNCCCN NCCCCNCCCNCCCN is propane-1,3-diamine in which a hydrogen attached to one nitrogen is substituted by a 3-aminoprop-1-yl group, and a hydrogen attached to the other nitrogen is substituted by a 4-aminobut-1-yl group. A polyamine natural product, its name arises from its similarity to spermine and the fact that it was first isolated from the extreme thermophile, Thermus thermophilus. It is also related to or classified as tetramine , polyazaalkane .
The molecule C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC[C@@H]2[C@H]([C@@H](C(O2)O)O)O)O)O)O)O is a glycosylarabinose consisting of D-mannopyranose and D-arabinofuranose joined in sequence by a (1->5) glycosidic bond. It is a glycosylarabinose and a partially-defined glycan. It derives from a D-mannopyranose and a D-arabinofuranose.
The molecule [H][C@@]1(OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO [H][C@@]1(OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO is dianion of ADP-L-glycero-D-manno-heptose arising from deprotonation of both free OH groups of the diphosphate. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule [H]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O [H]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O is aldehydo-D-glucuronic acid. Its functional parent is aldehydo-D-glucose . It is a conjugate acid of aldehydo-D-glucuronate . It is also related to or classified as D-glucuronic acid .
The molecule Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 is 4-aminofolic acid. It has the role of mutagen . It has the role of EC 1.5.1.3 (dihydrofolate reductase) inhibitor . Its functional parent is folic acid . It is also related to or classified as dicarboxylic acid .
The molecule OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O is A glycosylmannose comprising a beta-D-galactopyranose residue in (1->4) linkage with D-mannopyranose; which can inhibit Leishmania major glycoinositol phospholipid binding by sera from patients with acute cutaneous leishmaniasis. It is also related to or classified as glycosylmannose .
The molecule COC1=C(C2=C(C=C1O)OC=CC2=O)O is a member of the class of chromones that is chromone substituted by hydroxy groups at positions 5 and 7 and a methoxy groups at position 6. It has been isolated from Pisonia aculeata. It has a role as a plant metabolite. It is an aromatic ether, a member of chromones and a member of resorcinols. It derives from a chromone.
The molecule C=1N=C(N=CC1)N2CCN(CC2)CCCCN3C(CC4(CC3=O)CCCC4)=O C=1N=C(N=CC1)N2CCN(CC2)CCCCN3C(CC4(CC3=O)CCCC4)=O is an azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N(4) position. It has the role of anxiolytic drug . It has the role of sedative . It has the role of serotonergic agonist . It has the role of EC 3.4.21.26 (prolyl oligopeptidase) inhibitor . It is also related to or classified as azaspiro compound , organic heteropolycyclic compound , pyrimidines , N-alkylpiperazine , N-arylpiperazine , piperidones .
The molecule O=C1N2[C@H](C(=O)N[C@H]1C[C@]3(C(=O)NC4=C3C=CC(=C4)O)C(C=C)(C)C)CCC2 O=C1N2[C@H](C(=O)N[C@H]1C[C@]3(C(=O)NC4=C3C=CC(=C4)O)C(C=C)(C)C)CCC2 is Notoamide J. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [C@H]([C@H]([C@@H]([C@H](C([H])=O)O)O)O)(C([O-])=O)O [C@H]([C@H]([C@@H]([C@H](C([H])=O)O)O)O)(C([O-])=O)O is A D-glucuronate resulting from the deprotonation of the carboxy group of aldehydo-D-glucuronic acid; the major species at pH 7.3. It is also related to or classified as D-glucuronate  .
The molecule CCCCC\C=C/CC1OC1C\C=C/C\C=C/CCCC(O)=O CCCCC\C=C/CC1OC1C\C=C/C\C=C/CCCC(O)=O is an EET obtained by formal epoxidation of the 11,12-double bond of arachidonic acid. It has the role of mouse metabolite . It has the role of xenobiotic metabolite . It is a conjugate acid of 11,12-EET(1-) . It is also related to or classified as EET .
The molecule C[C@@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C is a spiro compound that is vetispirane that has been dehydrogenated to introduce a double bond position 6-7 and in which the isopropyl subsbstituent has been replaced by a prop-1-en-2-yl group (the 2R,5S,10R isomer). It has a role as a plant metabolite. It is a spiro compound and a sesquiterpene. It derives from a hydride of a vetispirane.
The molecule OC[C@H]([C@H](CC(CO)=O)O)O OC[C@H]([C@H](CC(CO)=O)O)O is A deoxyketohexose that is keto-D-fructose that is lacking the hydroxy group at position 3. A metabolite of 3-deoxyglucosone, a dicarbonyl sugar synthesised through the Maillard reaction.   It is also related to or classified as deoxyketohexose  . It is also related to or classified as alpha-hydroxy ketone , hexanone , beta-hydroxy ketone .
The molecule COc1cc(CC=C)c(OC)c2OCOc12 COc1cc(CC=C)c(OC)c2OCOc12 is Apiole. It has the role of metabolite . It is also related to or classified as benzodioxoles .
The molecule Cl.CC(C)(C)NC[C@H](O)c1cc(Cl)c(N)c(Cl)c1 Cl.CC(C)(C)NC[C@H](O)c1cc(Cl)c(N)c(Cl)c1 is the monohydrochoride salt of (R)-clenbuterol. It is also related to or classified as clenbuterol hydrochloride  .
The molecule COC1=NC(=NC2=C1NC=N2)N is a methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA. It has a role as a mutagen.
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)OC1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CC(=O)N[C@@H]1[C@@H](O)[C@@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)OC1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O is tetraanion of UDP-N-acetyl-D-galactosamine 4,6-bissulfate arising from deprotonation of diphosphate and sulfate groups; major species at pH 7.3. It is also related to or classified as organosulfate oxoanion  . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C(N)(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC C(N)(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC is A fatty amide resulting from the formal condensation of the carboxy group of alpha-linolenic acid with ammonia. Its functional parent is alpha-linolenic acid . It is also related to or classified as primary fatty amide  . It is also related to or classified as primary carboxamide  .
The molecule C=1N(C(NC(C1)=O)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)OS(=O)(=O)O)O)NC(=O)C)(=O)O)(=O)O C=1N(C(NC(C1)=O)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)OS(=O)(=O)O)O)NC(=O)C)(=O)O)(=O)O is A UDP-N-acetyl-D-galactosamine 4-sulfate in which the anomeric centre of the galactosamine fragment has alpha-configuration. It is a conjugate acid of UDP-N-acetyl-alpha-D-galactosamine 4-sulfate(3-) . It is also related to or classified as UDP-N-acetyl-D-galactosamine 4-sulfate  .
The molecule CC\\1=C(/C/2=C/C3=[NH+]/C(=C\\C4=C(C(=C([N-]4)/C=C\\5/C(=C(C(=[NH+]5)/C=C1\\[N-]2)C)CCC(=O)O)C(=O)CC(=O)OC)C)/C(=C3C)C=C)C=C.[Mg+2] is a magnesium porphyrin, a methyl ester and a dicarboxylic acid monoester. It derives from a magnesium protoporphyrin 13-monomethyl ester. It is a conjugate acid of a magnesium 13(1)-oxoprotoporphyrin 13-monomethyl ester(1-).
The molecule [Na+].[Na+].[O-][Si]([O-])=O [Na+].[Na+].[O-][Si]([O-])=O is an inorganic sodium salt having silicate as the counterion. It is also related to or classified as inorganic sodium salt .