anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O([C@H]1[C@H](O)[C@H](O[C@H](O)[C@@H]1O)CO)[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C O([C@H]1[C@H](O)[C@H](O[C@H](O)[C@@H]1O)CO)[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C is an alpha-L-Fucp-(1->3)-Glcp in which the carbon bearing the anomeric hydroxy group has alpha configuration. Its functional parent is alpha-D-glucose . Its functional parent is alpha-L-fucose . It is also related to or classified as alpha-L-Fucp-(1->3)-Glcp  .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)COP(=O)([O-])[O-] is a 1-acyl-2-oleoyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-arachidonoyl-2-oleoyl-sn-glycero-3-phosphate It is a conjugate base of a 1-arachidonoyl-2-oleoyl-sn-glycero-3-phosphate.
The molecule OC(=O)CC1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O OC(=O)CC1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O is A member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl group is substituted by nitro, hydroxy and nitro groups at positions 3, 4 and 5 respectively. It has the role of hapten . It has the role of marine metabolite . It has the role of bacterial metabolite .  It is also related to or classified as dinitrophenol  . It is also related to or classified as phenylacetic acids .
The molecule C(C1=CC(=CC(=C1)OC)OC)(=O)O C(C1=CC(=CC(=C1)OC)OC)(=O)O is A methoxybenzoic acid that is benzoic acid which is substituted by methoxy groups at positions 3 and 5. It has the role of plant metabolite . It is a conjugate acid of 3,5-dimethoxybenzoate . It is also related to or classified as methoxybenzoic acid .
The molecule C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=O)NC6=O)O)O)O)O)NC(=O)NC2=O is a purine ribonucleoside 5'-tetraphosphate compound having 5'-xanthosyl residues at the P(1)- and P(4)-positions. It has a role as a mouse metabolite. It is a purine ribonucleoside 5'-tetraphosphate and a xanthosine 5'-phosphate.
The molecule O.O.O.CC(O)=O.NC(=N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O O.O.O.CC(O)=O.NC(=N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O is the trihydrate of the acetic acid salt of desmopressin. An antidiuretic, it increases urine concentration and decreases urine production, and is used to prevent and control excessive thirst, urination, and dehydration caused by injury, surgery, and certain medical conditions. It is also used in the diagnosis and treatment of cranial diabetes insipidus and in tests of renal function. It is also related to or classified as hydrate .
The molecule O=C1O[C@H](C(=O)NC[C@@H](O)C[C@H](O)[C@H](O)CCC(=CC=CC(CCCCCCCC[C@H](C=C1C)C)CC)COC)CCC O=C1O[C@H](C(=O)NC[C@@H](O)C[C@H](O)[C@H](O)CCC(=CC=CC(CCCCCCCC[C@H](C=C1C)C)CC)COC)CCC is Megovalicin G. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)OC(O)[C@@H]4NC(C)=O)[C@@H]3NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)OC(O)[C@@H]4NC(C)=O)[C@@H]3NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino pentasaccharide comprising a linear tetrasaccharide unit consisting of N-acetyl-alpha-D-galactosaminyl, beta-D-galactosyl, N-acetyl-beta-D-galactosaminyl and (at the reducing end) N-acetyl-D-glucosamine residues all linked (1->3), to the beta-galactosyl residue is linked also (1->2) an alpha-L-fucosyl residue. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino pentasaccharide .
The molecule COC1=C(C=C2C(=C1)C=CC(=O)O2)OC(CO)C(C3=CC(=C(C=C3)O)OC)O is a guaiacyl lignin that is scopoletin in which the phenolic hydrogen is replaced by a guaiacylglycerol group. It is found in Arabidopsis thaliana. It has a role as a plant metabolite. It is a guaiacyl lignin, a member of coumarins, a primary alcohol and a secondary alcohol. It derives from a scopoletin and a guaiacylglycerol.
The molecule O=C1OC2=C(C=CC(=C2)O[C@H]3OC([C@@H](OC)[C@@H]([C@@H]3O)OC(=O)N)(C)C)C(=C1NC(=O)C4=CC(=C(O)C=C4)CC=C(C)C)O O=C1OC2=C(C=CC(=C2)O[C@H]3OC([C@@H](OC)[C@@H]([C@@H]3O)OC(=O)N)(C)C)C(=C1NC(=O)C4=CC(=C(O)C=C4)CC=C(C)C)O is TPU-0031-A.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule [H][C@]12CN3C4=C([C@@H](COC(N)=O)[C@@]3(OC)[C@@]1([H])N2)C(=O)C(N)=C(C)C4=O [H][C@]12CN3C4=C([C@@H](COC(N)=O)[C@@]3(OC)[C@@]1([H])N2)C(=O)C(N)=C(C)C4=O is mitomycin C. It has the role of alkylating agent . It has the role of antineoplastic agent . It is a conjugate acid of mitomycin C(1-) . It is also related to or classified as mitomycin .
The molecule C(C1=CC(=CC(=C1)OC)OC)(=O)O[C@@H]2C[C@@]3(CC[C@]2(C3(C)C)C)[H] C(C1=CC(=CC(=C1)OC)OC)(=O)O[C@@H]2C[C@@]3(CC[C@]2(C3(C)C)C)[H] is A benzoate ester resulting from the formal condensation of the carboxy group of 3,5-dimethoxybenzoic acid with the hydroxy group of (-)-borneol. Its functional parent is 3,5-dimethoxybenzoic acid . Its functional parent is (-)-borneol . It is also related to or classified as monoterpenoid , benzoate ester , carbobicyclic compound , dimethoxybenzene .
The molecule O([C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1N)CO)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO O([C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1N)CO)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO is A glycosyl glycoside consisting of alpha-D-glucosamine and alpha-D-galactopyranose residues joined by a (1->1) glycosidic bond. Its functional parent is alpha-D-galactose . Its functional parent is alpha-D-glucosamine . It is also related to or classified as primary amino compound , glycosyl glycoside derivative .
The molecule CCCCCCCCCCCCCCCC(=O)OC(CO)CO is a 2-monoglyceride where the acyl group is hexadecanoyl (palmitoyl). It has a role as an algal metabolite. It derives from a hexadecanoic acid.
The molecule C[NH2+][C@@H](Cc1c[nH]cn1)C([O-])=O C[NH2+][C@@H](Cc1c[nH]cn1)C([O-])=O is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N(alpha)-methyl-L-histidine. It is also related to or classified as amino-acid zwitterion .
The molecule COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=[NH2+])ccc12 COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=[NH2+])ccc12 is A cationic fluorescent dye derived from 9-phenylxanthene. It has the role of fluorochrome . It is also related to or classified as organic cation , xanthene dye .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCOC(CO)CO is a monoalkylglycerol that is glycerol which is substituted by a (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl group at position 2. It is a monoalkylglycerol, an endocannabinoid and a 2-alkylglycerol.
The molecule [H]C(=CC1=CC=C(O)C=C1)C(=O)OC [H]C(=CC1=CC=C(O)C=C1)C(=O)OC is A cinnamate ester that is the methyl ester of 4-coumaric acid. It has the role of antifungal agent . It has the role of melanin synthesis inhibitor . It has the role of anti-inflammatory agent . It has the role of plant metabolite . It has the role of fungal metabolite . Its functional parent is 4-coumaric acid . It is also related to or classified as methyl ester  . It is also related to or classified as phenols  . It is also related to or classified as cinnamate ester .
The molecule C1(C(C(CCC1)=O)C(=O)C2=C(C(=C(C=C2)S(C)(=O)=O)COCC(F)(F)F)Cl)=O C1(C(C(CCC1)=O)C(=O)C2=C(C(=C(C=C2)S(C)(=O)=O)COCC(F)(F)F)Cl)=O is an aromatic ketone that is 2-benzoylcyclohexane-1,3-dione in which the phenyl group is substituted at positions 2, 3, and 4 by chlorine, (2,2,2-trifluoroethoxy)methyl, and methylsulfonyl groups, respectively. It is a post-emergence herbicide used (particularly in conjunction with the herbicide safener cyprosulfamide) for the control of a wide range of broad-leaved and grassy weeds in corn and other crops. It has the role of carotenoid biosynthesis inhibitor . It has the role of herbicide . It has the role of agrochemical . It has the role of EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor .  It is also related to or classified as ether  . It is also related to or classified as sulfone  . It is also related to or classified as organofluorine compound  . It is also related to or classified as beta-triketone , cyclic ketone , aromatic ketone , monochlorobenzenes .
The molecule CCC(C)C(=O)C([O-])=O CCC(C)C(=O)C([O-])=O is A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-methyl-2-oxovaleric acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It has the role of human metabolite . Its functional parent is valerate .  It is also related to or classified as 2-oxo monocarboxylic acid anion  . It is also related to or classified as branched-chain keto acid anion .
The molecule C[C@@H]1CC[C@H](C[C@@H]1O)C(C)=C C[C@@H]1CC[C@H](C[C@@H]1O)C(C)=C is A dihydrocarveol with a (1R,2S,4R)-configuration. It is also related to or classified as dihydrocarveol  .
The molecule C=1(C(=CC(=CC1)C(OC(C)(C)C)=O)OC)O C=1(C(=CC(=CC1)C(OC(C)(C)C)=O)OC)O is A benzoate ester that is tert-butyl benzoate that carries a methoxy group at position 3 and a hydroxy group at position 4 of the phenyl ring. It is also related to or classified as tert-butyl ester  .  It is also related to or classified as phenols  . It is also related to or classified as monomethoxybenzene , benzoate ester .
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCO CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCO is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate groups of 3-hydroxypropanoyl-CoA. It has the role of human metabolite . It is also related to or classified as acyl-CoA(4-)  .
The molecule CCCCCCC/C=C/C=C/C=C\\C/C=C\\CCCC(=O)O is an icosatetraenoic acid in which the four double bonds are located at positions 5, 8, 10 and 12 (the 5Z,8Z,10E,12E-isomer).
The molecule O([C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O)[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C O([C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O)[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C is A glycosylgalactose consisting of alpha-L-fucopyranose and alpha-D-galactopyranose residues joined in sequence by a (1->4) glycosidic bond. It is also related to or classified as glycoside  .
The molecule C(C(C(C(=O)O)([2H])[2H])([2H])[2H])(O)=O C(C(C(C(=O)O)([2H])[2H])([2H])[2H])(O)=O is A deuterated compound that is succinic acid in which the four methylene hydrogens are replaced by deuterium. It is also related to or classified as alpha,omega-dicarboxylic acid , C4-dicarboxylic acid , deuterated compound .
The molecule CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCc1ccccc1 CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCc1ccccc1 is A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 6-phenylhexanoyl group attached to the nitrogen. Its functional parent is alpha-D-galactose . It is also related to or classified as glycophytoceramide .
The molecule COC(\C=C\C1=CC=C(C=C1)O)=O COC(\C=C\C1=CC=C(C=C1)O)=O is (E)-4-coumaric acid methyl ester. It is also related to or classified as 4-coumaric acid methyl ester  .
The molecule CCC(C)COC(C)=O CCC(C)COC(C)=O is the  acetate ester of 2-methylbutan-1-ol. It has the role of metabolite . It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is 2-methylbutan-1-ol . It is also related to or classified as acetate ester  .
The molecule O1[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1CO O1[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1CO is A glycosylglucose consisting of beta-D-xylofuranose and beta-D-glucopyranose residues joined in sequence by a (1->6) glycosidic bond. Its functional parent is beta-D-glucose . Its functional parent is beta-D-xylofuranose . It is also related to or classified as glycosylglucose .
The molecule CC[C@H]1C[C@@]23C(=O)/C(=C(\\[C@]4([C@@H]5CC[C@@H]([C@@H]([C@H]5C=C[C@H]4C/C=C/C/C(=C/[C@]2(C=C1C(=O)O)C)/C)O[C@H]6C[C@@H]([C@@H]([C@H](O6)C)NC(=O)C7=C(C=C(N7)Cl)Cl)O)C)CC)/O)/C(=O)O3 is a carbohydrate-containing antibiotic isolated from Actinomadura sp. MK73-NF4. It specifically inhibits the growth of gram-positive bacteria including multi-drug resistant strains such as Staphylococcus aureus MS9610 and menthicilin-resistant S.aureus (MRSA). It has a role as a metabolite and an antibacterial agent. It is an organochlorine compound, a gamma-lactone, an amide, a carbohydrate-containing antibiotic, a macrocycle, a monocarboxylic acid, an oxaspiro compound, an enol, a trideoxyhexose derivative and a member of pyrroles.
The molecule C1=C(C(=CC2=C1[C@]([NH2+]CC2)(C)C(=O)[O-])O)O C1=C(C(=CC2=C1[C@]([NH2+]CC2)(C)C(=O)[O-])O)O is major microspecies at pH 7.3.  It is also related to or classified as zwitterion  . It is also related to or classified as isoquinolines .
The molecule [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CCCC(=O)C([O-])=O)C([O-])=O [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CCCC(=O)C([O-])=O)C([O-])=O is dicarboxylate anion of (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate acid. It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as cephalosporin carboxylic acid anion .
The molecule S(O[C@@H]1[C@H](O)[C@@H](NC(=O)C)[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]4[C@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]6CO[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)O)O[C@@H]([C@H]4O)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](OS(O)(=O)=O)[C@H]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO)CO)O[C@@H]([C@@H](O)[C@@H]3O)CO)O[C@@H]2CO)O[C@@H]1CO)(O)(=O)=O S(O[C@@H]1[C@H](O)[C@@H](NC(=O)C)[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]4[C@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]6CO[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)O)O[C@@H]([C@H]4O)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](OS(O)(=O)=O)[C@H]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO)CO)O[C@@H]([C@@H](O)[C@@H]3O)CO)O[C@@H]2CO)O[C@@H]1CO)(O)(=O)=O is [(2R,3R,4R,5R,6S)-5-Acetamido-6-[(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)-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-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule O.O.CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I O.O.CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I is the dihydrate form of amidotrizoic acid. Both the dihydrate and the anhydrous form are used as X-ray contrast media. It has the role of radioopaque medium . It is also related to or classified as hydrate .
The molecule CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCc1ccccc1 CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCc1ccccc1 is A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 10-phenyldecanoyl group attached to the nitrogen. Its functional parent is alpha-D-galactose . It is also related to or classified as glycophytoceramide .
The molecule CC1=C[C@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=CC(=C4O)[C@@H]5[C@H](C(=O)C6=C(O5)C=C(C=C6)O)O)O is a member of the class of polyphenols consisting of a methylcyclohexene ring attached to a 2,4-dihydroxyphenyl, 2,4-dihydroxybenzoyl and dihydroflavonol moieties at positions 5'', 4'' and 3'' respectively. Regarded biogenetically as a Diels-Alder adduct, it is isolated from the stem barks of Morus macroura and exhibits antioxidant activity. It has a role as an antioxidant and a plant metabolite. It is a member of dihydroflavonols, a polyphenol, an aromatic ketone and a secondary alpha-hydroxy ketone.
The molecule C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)OS(=O)(=O)[O-])I)I)CC(C(=O)[O-])[NH3+] is conjugate base of thyroxine sulfate having anionic carboxy and sulfate groups and the amino group protonated. It is a 3,3',5-triiodo-L-thyroninate and a phenyl sulfate oxoanion. It is a conjugate base of a thyroxine sulfate.
The molecule C1(C2CC34C(C1(OC2(CC3OC(=O)[C@@]5(CCC(CN5)(C)C)[H])C)C)CCC4C)[NH2+]CCCCC[NH+](C)C C1(C2CC34C(C1(OC2(CC3OC(=O)[C@@]5(CCC(CN5)(C)C)[H])C)C)CCC4C)[NH2+]CCCCC[NH+](C)C is major microspecies at pH 7.3. It is also related to or classified as oxolane  .
The molecule COc1cc(ccc1O)C(O)=O COc1cc(ccc1O)C(O)=O is A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. It has the role of plant metabolite . It is a conjugate acid of vanillate . It is also related to or classified as methoxybenzoic acid , monohydroxybenzoic acid .
The molecule O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(CCCCCCC/C=C\C(CCCCCCC)O)=O O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(CCCCCCC/C=C\C(CCCCCCC)O)=O is A 1-O-acyl-sn-glycero-3-phosphocholine obtained by hydroxylation at position 11 of 1-O-oleoyl-sn-glycero-3-phosphocholine.  It is also related to or classified as 1-O-acyl-sn-glycero-3-phosphocholine  . It is also related to or classified as lysophosphatidylcholine 18:1  . It is also related to or classified as oxidized 1-acyl-sn-glycero-3-phosphocholine zwitterion .
The molecule O[C@@H](CNCCCCc1ccc(O)cc1)c1ccc(O)c(O)c1 O[C@@H](CNCCCCc1ccc(O)cc1)c1ccc(O)c(O)c1 is arbutamine. It has the role of beta-adrenergic agonist . It has the role of cardiotonic drug . It is also related to or classified as catecholamine  .
The molecule S(O[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O)O[C@@H]([C@H](O)[C@@H]1O)CO)(O)(=O)=O S(O[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O)O[C@@H]([C@H](O)[C@@H]1O)CO)(O)(=O)=O is A disaccharide derivative that is alpha-D-Galp-(1->4)-beta-D-Glcp in which the hydroxy group at position 2 of the galactopyranose moiety has been converted into the corresponding hydrogen sulfate derivative. Its functional parent is alpha-D-Galp-(1->4)-beta-D-Glcp . It is also related to or classified as oligosaccharide sulfate , disaccharide derivative .
The molecule CCCCCCCCCCCC(C)CCCC(C)C CCCCCCCCCCCC(C)CCCC(C)C is A branched alkane consisting of heptadecane bearing two methyl substituents at positions 2 and 6. It has the role of fungal metabolite . It is also related to or classified as alkane  .
The molecule [Cl-].CCCCOc1cc(C(=O)NCC[NH+](CC)CC)c2ccccc2n1 [Cl-].CCCCOc1cc(C(=O)NCC[NH+](CC)CC)c2ccccc2n1 is the monohydrochloride salt of cinchocaine. It is used in creams, ointments and suppositories for temporary relief of pain and itching associated with skin and anorectal conditions. It is also related to or classified as hydrochloride .
The molecule C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCCO[N+](=O)[O-] is a carboxylic ester obtained by formal condensation of the carboxy group of naproxen with the hydroxy group of 4-(nitrooxy)butanol. A cyclooxygenase-inhibiting nitric oxide donator that is metabolised to naproxen and a nitric oxide donating moiety, effective in treatment of osteoarthritis. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a prodrug, a nitric oxide donor and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It is a nitrate ester, a carboxylic ester and a methoxynaphthalene. It derives from a naproxen and a butane-1,4-diol.
The molecule C1(C2CC34C(C1(OC2(CC3)C)C)CCC4C)[NH2+]CCCCC[NH+](C)C C1(C2CC34C(C1(OC2(CC3)C)C)CCC4C)[NH2+]CCCCC[NH+](C)C is major microspecies at pH 7.3. It is also related to or classified as oxolane  .
The molecule C(C1=CC(=C(C=C1)O)OC)(=O)O[C@@H]2C[C@@]3(CC[C@]2(C3(C)C)C)[H] C(C1=CC(=C(C=C1)O)OC)(=O)O[C@@H]2C[C@@]3(CC[C@]2(C3(C)C)C)[H] is A benzoate ester resulting from the formal condensation of the carboxy group of vanillic acid  with the hydroxy group of (-)-borneol. A metabolite isolated from Ferula dissecta. It has the role of geroprotector . It has the role of antimicrobial agent . It has the role of antineoplastic agent . It has the role of animal metabolite . It has the role of plant metabolite . Its functional parent is (-)-borneol . Its functional parent is vanillic acid .   It is also related to or classified as phenols  . It is also related to or classified as monomethoxybenzene , monoterpenoid , benzoate ester , carbobicyclic compound .
The molecule C[C@]1(CC([O-])=O)[C@H](CCC([O-])=O)\C2=C\c3[nH]c(Cc4[nH]c(\C=C5/N=C(/C=C1\[NH2+]2)[C@@H](CCC([O-])=O)[C@]5(C)CC([O-])=O)c(CC([O-])=O)c4CCC([O-])=O)c(CCC([O-])=O)c3CC([O-])=O C[C@]1(CC([O-])=O)[C@H](CCC([O-])=O)\C2=C\c3[nH]c(Cc4[nH]c(\C=C5/N=C(/C=C1\[NH2+]2)[C@@H](CCC([O-])=O)[C@]5(C)CC([O-])=O)c(CC([O-])=O)c4CCC([O-])=O)c(CCC([O-])=O)c3CC([O-])=O is heptaanionic form of precorrin-2. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as precorrin carboxylic acid anion .
The molecule O([C@H]1[C@@H](O)[C@H](O)[C@H](OC1O)CO)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO O([C@H]1[C@@H](O)[C@H](O)[C@H](OC1O)CO)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO is A glycosylmannose consisting of alpha-D-galactopyranose and D-mannopyranose residues joined in sequence by a (1->2) glycosidic bond. It is also related to or classified as glycoside  .
The molecule C1(C(N2C1CC(C2C(O)=O)SCCN)=O)CC C1(C(N2C1CC(C2C(O)=O)SCCN)=O)CC is A beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and ethyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem. It has the role of bacterial metabolite .    It is also related to or classified as beta-lactam  . It is also related to or classified as aliphatic sulfide , monocarboxylic acid , organic heterobicyclic compound , primary amino compound .
The molecule CC(=O)NC1=CO[C@@H]([C@H]([C@@H]1O)O)CO is a glycal derivative that is 1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol substituted by an acetylamino group at position 2. It has a role as a metabolite. It is a glycal derivative and a member of acetamides.
The molecule C=1C[C@@]2(CCC1C)[C@@H](CC[C@@]2([C@]3(CO3)C)[H])C C=1C[C@@]2(CCC1C)[C@@H](CC[C@@]2([C@]3(CO3)C)[H])C is (2S)-2-[(1S,4R,5S)-4,8-dimethylspiro[4.5]dec-7-en-1-yl]-2-methyloxirane. It is also related to or classified as epoxide  . It is also related to or classified as spiro compound .
The molecule C=1(C(C2SCC(=O)N2C3=NC(=CC(=N3)C(F)(F)F)C)=C(C=CC1)Br)Br C=1(C(C2SCC(=O)N2C3=NC(=CC(=N3)C(F)(F)F)C)=C(C=CC1)Br)Br is 2-(2,6-Dibromophenyl)-3-(4-methyl-6-trifluoromethylpyrimidin-2-yl)thiazolidin-4-one. It has the role of anticoronaviral agent . It is also related to or classified as organobromine compound  .