anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H](C(O4)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)CO)CO)O)O is a branched amino hexasaccharide comprised of a linear sequence of N-acetyl-alpha-neuraminyl, beta-D-galactosyl and N-acetyl-D-glucosamine residues linked (2->3) and (1->3), to the N-acetyl-D-glucosamine residue of which is also linked (1->6) a linear trisaccharide sequence of N-acetyl-alpha-neuraminyl, beta-D-galactosyl and N-acetyl-D-glucosamine residues linked (2->3) and (1->4). It is a glucosamine oligosaccharide, a galactosamine oligosaccharide and an amino hexasaccharide.
The molecule C(C([O-])=O)NC(=N)N C(C([O-])=O)NC(=N)N is A monocarboxylic acid anion that is the conjugate base of guanidinoacetic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion  .
The molecule O[C@@H]([C@H](O)C([O-])=O)C(O)=O O[C@@H]([C@H](O)C([O-])=O)C(O)=O is D-tartrate(1-). It is a conjugate acid of D-tartrate(2-) . It is also related to or classified as 3-carboxy-2,3-dihydroxypropanoate  .
The molecule COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O is an anthocyanidin cation that is delphinidin carrying methyl substituents at positions 3' and 5'. It has the role of metabolite . It has the role of biological pigment . Its functional parent is delphinidin . It is a conjugate acid of malvidin(1-) . It is also related to or classified as 5-hydroxyanthocyanidin  .
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C is Pomolic acid. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]1(C)[C@H](C[C@H]1OC[C@@]21OC(C)=O)OC)C3(C)C [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]1(C)[C@H](C[C@H]1OC[C@@]21OC(C)=O)OC)C3(C)C is A tetracyclic diterpenoid that is 10-deacetylbaccatin III having O-methyl groups attached at positions 7 and 10 as well as an O-(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl group attached at position 13. Acts as a microtubule inhibitor, binds tubulin and promotes microtubule assembly and simultaneously inhibits disassembly. It has the role of antineoplastic agent . It has the role of microtubule-stabilising agent . Its functional parent is 10-deacetylbaccatin III . It is also related to or classified as tetracyclic diterpenoid .
The molecule CC/C=C/C(=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 2,3-dehydroacyl-CoA(4-) arising from deprotonation of phosphate and diphosphate functions of pent-2-enoyl-CoA; major species at pH 7.3. It is a conjugate base of a pent-2-enoyl-CoA.
The molecule CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O is an N-acetyl-alpha-D-galactosaminide having a methyl substituent at the anomeric position. It is also related to or classified as N-acetyl-alpha-D-galactosaminide  .
The molecule C=1(C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)COC(/C=C/C3=CC=C(O)C(=C3)O)=O)=CC4=C([O+]1)C=C(O)C=C4O)C5=CC(=C(O)C(=C5)OC)OC C=1(C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)COC(/C=C/C3=CC=C(O)C(=C3)O)=O)=CC4=C([O+]1)C=C(O)C=C4O)C5=CC(=C(O)C(=C5)OC)OC is an anthocyanin cation that is malvidin substituted at position 3 by a 6-O-(E-caffeoyl)-beta-D-glucosyl residue. Its functional parent is trans-caffeic acid . Its functional parent is malvidin . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as anthocyanin cation  . It is also related to or classified as polyphenol , aromatic ether , cinnamate ester , monosaccharide derivative .
The molecule [H][C@@]1(CC[C@]([H])(O[C@H]2C[C@@](C)(O)[C@H](OC(=O)c3c(C)ccc(C)c3O)[C@H](C)O2)[C@@H](C)O1)O[C@@H]1C(=O)\C(=C(\C)O)C(=O)[C@@]2(O)C(=O)c3c(O)c4C(=O)C=C(OC)C(=O)c4c(C)c3C[C@@]12O [H][C@@]1(CC[C@]([H])(O[C@H]2C[C@@](C)(O)[C@H](OC(=O)c3c(C)ccc(C)c3O)[C@H](C)O2)[C@@H](C)O1)O[C@@H]1C(=O)\C(=C(\C)O)C(=O)[C@@]2(O)C(=O)c3c(O)c4C(=O)C=C(OC)C(=O)c4c(C)c3C[C@@]12O is A carbohydrate-containing antibiotic isolated from the culture broth of Streptomyces sp.MK277-AF1. It exhibits potent antibacterial activity against several Gram-positive bacterial strains and is also found to be cytotoxic against a number of tumour cell lines. It has the role of metabolite . It has the role of antibacterial agent . It has the role of antineoplastic agent . Its functional parent is 3,6-dimethylsalicylic acid . It is also related to or classified as tertiary alpha-hydroxy ketone  .  It is also related to or classified as glycoside  .   It is also related to or classified as enol  . It is also related to or classified as phenols  . It is also related to or classified as carbohydrate-containing antibiotic , p-quinones , pyrans , carbopolycyclic compound , benzoate ester .
The molecule Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O is A nucleoside analogue obtained by formal dehydration across positions 2 and 3 of thymidine. An inhibitor of HIV-1 reverse transcriptase. It has the role of antiviral agent . It has the role of antimetabolite . It has the role of EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor . Its functional parent is thymine . It is also related to or classified as dihydrofuran , nucleoside analogue , organic molecular entity .
The molecule C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C is a phytosterol consiting of ergostane having double bonds at the 5,6- and 7,8-positions as well as a 3beta-hydroxy group. It is a 3beta-sterol, an ergostanoid and a member of phytosterols. It derives from a hydride of a 5alpha-ergostane.
The molecule C(CC(=O)N[C@@H](CSCCl)C(=O)NCC(=O)O)[C@@H](C(=O)O)N is an S-substituted glutathione that is glutathione in which the mercapto hydrogen has been replaced by a chloromethyl group. It has a role as an alkylating agent, a bacterial xenobiotic metabolite and a mouse metabolite. It is an organochlorine compound and a S-substituted glutathione. It is a conjugate acid of a S-(chloromethyl)glutathione(1-).
The molecule OC1CC(O)C(O)C(O)CS(=O)CC(O)C(O)C(O)C(O)C1 OC1CC(O)C(O)C(O)CS(=O)CC(O)C(O)C(O)C(O)C1 is Polyhydroxylated cyclic sulfoxide. It has the role of metabolite . It is also related to or classified as sulfoxide  .
The molecule OCC1=CC(=O)C2=C(C)C[C@@H]([C@]3(C(=C)C(=O)O[C@@]3([C@@]12[H])[H])[H])O OCC1=CC(=O)C2=C(C)C[C@@H]([C@]3(C(=C)C(=O)O[C@@]3([C@@]12[H])[H])[H])O is an azulenofuran that is 3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione carrying additional hydroxy, methyl and hydroxymethyl substituents at positions 4, 6 and 9 respectively (the 3aR,4S,9aS,9bR-diastereomer). Found in chicory. It has the role of sedative . It has the role of antimalarial . It has the role of plant metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as secondary alcohol  .    It is also related to or classified as enone  . It is also related to or classified as cyclic terpene ketone , sesquiterpene lactone , azulenofuran .
The molecule CC(=C)C(=O)OCCOC(=O)C(=C)C is the enoate ester that is the 1,2-bis(methacryloyl) derivative of ethylene glycol. It has a role as a cross-linking reagent, a polymerisation monomer and an allergen. It derives from an ethylene glycol and a methacrylic acid.
The molecule [H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]3([H])C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O [H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]3([H])C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O is Polpunonic acid. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule CCC(O)CC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CCC(O)CC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O is A hydroxy fatty acid anion that is the conjugate base of 18-hydroxyarachidonic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroxy fatty acid anion , polyunsaturated fatty acid anion .
The molecule C=C(C(=O)[O-])N is the conjugate base of 2-aminoacrylic acid; major species at pH 7.3. It is a conjugate base of a 2-aminoacrylic acid.
The molecule FC(F)(F)C1=NC(=C(C=C1)C(=O)NC=2C(F)=CC=CC2)C FC(F)(F)C1=NC(=C(C=C1)C(=O)NC=2C(F)=CC=CC2)C is N-(2-fluorophenyl)-2-methyl-6-(trifluoromethyl)nicotinamide. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@@]1([H])[C@@]2(C)CC[C@@]2([H])C(C)(C)[C@H](O)C[C@@H](O)[C@]12C)[C@]1(C)CC[C@H](O1)C(C)(C)O [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@@]1([H])[C@@]2(C)CC[C@@]2([H])C(C)(C)[C@H](O)C[C@@H](O)[C@]12C)[C@]1(C)CC[C@H](O1)C(C)(C)O is Polacandrin. It has the role of metabolite . It is also related to or classified as triterpenoid saponin .
The molecule CCC(O)CC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O CCC(O)CC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O is A HETE that consists of arachidonic acid bearing a hydroxy substituent at position 18. Its functional parent is icosa-5,8,11,14-tetraenoic acid . It is a conjugate acid of 18-HETE(1-) . It is also related to or classified as HETE .
The molecule CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN is a 2-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as linoleoyl. It has a role as a human metabolite. It derives from a linoleic acid. It is a tautomer of a 2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion.
The molecule O=C(N)C(NC(=O)C1=NN(CCCCC(O)=O)C=2C1=CC=CC2)C(C)(C)C O=C(N)C(NC(=O)C1=NN(CCCCC(O)=O)C=2C1=CC=CC2)C(C)(C)C is Adb-pinaca pentanoic acid metabolite. It is also related to or classified as indazoles , aromatic amide .
The molecule N=1C=CC=C(C1O)O N=1C=CC=C(C1O)O is A dihydroxypyridine in which the two hydroxy groups are located at positions 2 and 3. It is also related to or classified as dihydroxypyridine .
The molecule [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3Cc3ccc(C[C@@]1([H])O2)o3 [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3Cc3ccc(C[C@@]1([H])O2)o3 is Pochonin G. It has the role of metabolite . It is also related to or classified as macrolide  .
The molecule Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1 Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1 is A monothioacetal that consists of cytosine having a (2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl moiety attached at position 1. An inhibitor of HIV-1 reverse transcriptase, it is used as an antiviral in the treatment of AIDS and hepatitis B. It has the role of antiviral drug . It has the role of prodrug . It has the role of allergen . It has the role of HIV-1 reverse transcriptase inhibitor . It has the role of EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor . It has the role of anti-HBV agent . Its functional parent is cytosine . It is also related to or classified as primary alcohol  .  It is also related to or classified as monothioacetal  . It is also related to or classified as oxacycle , nucleoside analogue .
The molecule C1=CC(=C(C(=C1)Cl)C#N)Cl is a nitrile that is benzonitrile which is substituted by chlorines at positions 2 and 6. A cellulose synthesis inhibitor, it is used as a pre-emergent and early post-emergent herbicide. It has a role as a herbicide, an agrochemical, a cellulose synthesis inhibitor, a xenobiotic and an environmental contaminant. It is a nitrile and a dichlorobenzene. It derives from a benzonitrile.
The molecule C1=CC=C(C=C1)C(=O)NCC(=O)O is an N-acylglycine in which the acyl group is specified as benzoyl. It has a role as a uremic toxin and a human blood serum metabolite. It is a conjugate acid of a N-benzoylglycinate.
The molecule [H][C@]1(Cc2cccc(O)c2C(=O)O1)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](O)[C@@H](N)CC(C)C [H][C@]1(Cc2cccc(O)c2C(=O)O1)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](O)[C@@H](N)CC(C)C is A a monocarboxylic acid amide obtained by the formal condensation of the amino group of 3-[(1S)-1-amino-3-methylbutyl]-8-hydroxy-3,4-dihydro-1H-isochromen-1-one with the carboxy group of 4-amino-2,3-dihydroxy-6-methylheptanoic acid (the 2S,3S,4S stereoisomer). It is isolated from the culture broth of Bacillus sp.PhM-PHD-090 and exhibits potent antitumour activity. It has the role of antimicrobial agent . It has the role of antineoplastic agent . It has the role of bacterial metabolite . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as isocoumarins , primary amino compound .
The molecule OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O is A maltose phosphate having the phosphate group located at the 1-position. It is a conjugate acid of maltose 1-phosphate(2-) . It is also related to or classified as maltose phosphate .
The molecule CN1C=NC2=C1C(=O)N(C(=O)N2C)C is a trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. It has a role as a central nervous system stimulant, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor, an adenosine receptor antagonist, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor, a ryanodine receptor agonist, a fungal metabolite, an adenosine A2A receptor antagonist, a psychotropic drug, a diuretic, a food additive, an adjuvant, a plant metabolite, an environmental contaminant, a xenobiotic, a human blood serum metabolite, a mouse metabolite and a mutagen. It is a purine alkaloid and a trimethylxanthine.
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(=CC(O)=C2)/C=C/C3=CC=C(OC)C=C3)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(=CC(O)=C2)/C=C/C3=CC=C(OC)C=C3)CO is Desoxyrhaponticin. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OCCC#C [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OCCC#C is A beta-D-glucoside that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen is replaced by a but-3-yn-1-yl group. Its functional parent is but-3-yn-1-ol . It is also related to or classified as beta-D-glucoside  .
The molecule Cc1cc(O)c2C(=O)C3=C(C[C@H](O)[C@H](O)[C@@H]3O)C(=O)c2c1 Cc1cc(O)c2C(=O)C3=C(C[C@H](O)[C@H](O)[C@@H]3O)C(=O)c2c1 is A carbotricyclic compound that is 1,2,3,4-tetrahydroanthracene-9,10-dione substituted by hydroxy groups at positions 1, 2, 3 and 8 and a methyl group at position 6. It is isolated from a pleosporalean ascomycete (MF7028), an endophytic fungus from Anthyllis vulneraria and exhibits modest antibacterial activity against a number of bacterial strains. Additionally it exhibits cytotoxicity against HeLa cells. It has the role of metabolite . It has the role of antibacterial agent . It has the role of antineoplastic agent .  It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as p-quinones , carbotricyclic compound .
The molecule OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)OP([O-])([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)OP([O-])([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of maltose 1-phosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule CC(=CCC1=C(OC2=CC3=C(C=CC(O3)(C)C)C(=C2C1=O)O)C4=C(C=C(C=C4)O)O)C is an extended flavonoid that consists of a pyranochromane skeleton that is 2H,6H-pyrano[3,2-g]chromen-6-one substituted by geminal methyl groups at position 2, a 2,4-dihydroxyphenyl group at position 8, a hydroxy group at position 5 and a prenyl group at position 7. Isolated from Morus alba and Morus species it exhibits anti-inflammatory activity. It has a role as an anti-inflammatory agent and a plant metabolite. It is an extended flavonoid, a pyranochromane and a trihydroxyflavone.
The molecule O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO)[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO)[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O is Leucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O=C(C=1N=NC=2N(N=C(C2)C)C1C)C O=C(C=1N=NC=2N(N=C(C2)C)C1C)C is 1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethan-1-one. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .
The molecule [H][C@@]12CCc3cc(C(C)C)c(OC(=O)C=C(C)C)c(O)c3[C@@]1(C)CCC[C@]2(C)COC(=O)c1ccc(O)c(O)c1 [H][C@@]12CCc3cc(C(C)C)c(OC(=O)C=C(C)C)c(O)c3[C@@]1(C)CCC[C@]2(C)COC(=O)c1ccc(O)c(O)c1 is Plectranthol B. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule CCCC[C@H](NC=O)C(=O)Oc1ccccc1 CCCC[C@H](NC=O)C(=O)Oc1ccccc1 is the alpha-amino acid ester that is the phenyl ester of N-formylated L-norleucine. It is also related to or classified as alpha-amino acid ester  .
The molecule C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C is a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid and a 26-hydroxy steroid. It has a role as a human metabolite and a mouse metabolite. It derives from a hydride of a 5beta-cholestane.
The molecule CC(C)c1cc2C=C[C@@]3(C)C(=CCC[C@]3(C)COC(=O)c3ccc(O)c(O)c3)c2c(O)c1O CC(C)c1cc2C=C[C@@]3(C)C(=CCC[C@]3(C)COC(=O)c3ccc(O)c(O)c3)c2c(O)c1O is Plectranthol A. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule CSCC[C@H](NC=O)C(=O)Oc1ccccc1 CSCC[C@H](NC=O)C(=O)Oc1ccccc1 is the alpha-amino acid ester that is the phenyl ester of N-formylated L-methionine. It is also related to or classified as alpha-amino acid ester  . It is also related to or classified as L-methionine derivative .
The molecule CCCCCCCCCCCCC(C)(C(CC(=O)O)O)O is a dihydroxy monocarboxylic acid that consists of palmitic acid bearing two hydroxy substituents at positions 3 and 4 and a methyl substituent at position 4. It is a branched-chain fatty acid, a long-chain fatty acid, a 3-hydroxy fatty acid and a dihydroxy monocarboxylic acid. It derives from a hexadecanoic acid.
The molecule [H+].O[C@@H]([C@@H](O)C([O-])=O)C([O-])=O [H+].O[C@@H]([C@@H](O)C([O-])=O)C([O-])=O is meso-tartrate(1-). It is a conjugate acid of meso-tartrate(2-) . It is also related to or classified as 3-carboxy-2,3-dihydroxypropanoate  .
The molecule [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]2[C@@H](O)C[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])C[C@H](O)[C@]35OC(=O)[C@@]6(CCC(C)(C)C[C@@]36[H])[C@H](O)C[C@@]45C)[C@]2(C)CO)[C@@H]1O [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]2[C@@H](O)C[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])C[C@H](O)[C@]35OC(=O)[C@@]6(CCC(C)(C)C[C@@]36[H])[C@H](O)C[C@@]45C)[C@]2(C)CO)[C@@H]1O is Platycodon saponin 2. It has the role of metabolite . It is also related to or classified as triterpenoid saponin .
The molecule CC(\C=C\C=C(C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C CC(\C=C\C=C(C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C is A tunaxanthin that consists of epsilon,epsilon-carotene bearing hydroxy substituents at positions 3 and 3' (the 3S,3'S,6S,6'S-diastereomer). It is also related to or classified as tunaxanthin  .
The molecule C(CS(=O)[O-])[NH+]=C(N)N is zwitterionic form of hypotaurocyamine having an anionic sulfinate group and a protonated guanidino group; major species at pH 7.3. It is a tautomer of a hypotaurocyamine.
The molecule OCCC#C OCCC#C is A terminal acetylenic compound that is but-1-yne with one of the methyl hydrogens substituted by a hydroxy group.  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as butyn-1-ols .
The molecule [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O)C[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C[C@H](O)[C@]24OC(=O)[C@@]5(CCC(C)(C)C[C@@]25[H])[C@H](O)C[C@@]34C)C1(CO)CO [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O)C[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C[C@H](O)[C@]24OC(=O)[C@@]5(CCC(C)(C)C[C@@]25[H])[C@H](O)C[C@@]34C)C1(CO)CO is Platycodon saponin 1. It has the role of metabolite . It is also related to or classified as triterpenoid saponin .
The molecule CC(C)Nc1ccc(Nc2ccccc2)cc1 CC(C)Nc1ccc(Nc2ccccc2)cc1 is the N-substituted diamine that is 1,4-phenylenediamine substituted at one N with an isopropyl group and at the other with a phenyl group. It has the role of antioxidant . It has the role of allergen . It is also related to or classified as N-substituted diamine .
The molecule CC(C)CC(=O)OC(C1=CC=CC=C1)C2=CC(=CC(=O)N2)O is a carboxylic ester obtained by the formal condensation of the secondary hydroxy group of 4-hydroxy-6-[hydroxy(phenyl)methyl]pyridin-2(1H)-one with 3-methylbutanoic acid. It is isolated from the culture broth of Penicillium sp. SPF-32629 and acts as an inhibitor of the enzyme chymase (EC 3.4.21.39). It has a role as an antimicrobial agent, an EC 3.4.21.39 (chymase) inhibitor and a Penicillium metabolite. It is a carboxylic ester, a pyridone and a monohydroxypyridine.
The molecule O[C@H]1C([C@@]2([C@](C3[C@](C4C(C([C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)[C@@H](O)C4)(C)C)=CC3)(C(=O)C2)C)(C1)C)C)C(O)(C)C(=O)CCC(OC(=O)C)(C)C O[C@H]1C([C@@]2([C@](C3[C@](C4C(C([C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)[C@@H](O)C4)(C)C)=CC3)(C(=O)C2)C)(C1)C)C)C(O)(C)C(=O)CCC(OC(=O)C)(C)C is (1S,2S,8xi,9beta,16alpha,17xi)-1-(beta-D-Glucopyranosyloxy)-2,16,20-trihydroxy-9,10,14-trimethyl-11,22-dioxo-4,9-cyclo-9,10-secocholest-5-en-25-yl acetate.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O is A keto-disaccharide that is beta-D-galactosyl-(1->4)-beta-D-glucose in which the hydroxy group at position 3 of the galactosyl moiety has been oxidised to the corresponding ketone. It has the role of mouse metabolite . It is also related to or classified as keto-disaccharide .
The molecule CC(C)([C@@H](CC\C(=C\CC\C(=C\CC\C(\C)=C\CC1=CC(=O)C=C(C)C1=O)\C)\C)O)O CC(C)([C@@H](CC\C(=C\CC\C(=C\CC\C(\C)=C\CC1=CC(=O)C=C(C)C1=O)\C)\C)O)O is Plastoquinone 2. It has the role of metabolite . It is also related to or classified as 1,4-benzoquinones  . It is also related to or classified as diterpenoid  .
The molecule [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CSC(=O)C(C)(C)C [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CSC(=O)C(C)(C)C is the pivalate thioester of tixocortol. It has the role of anti-allergic agent . It has the role of allergen . It has the role of glucocorticoid receptor agonist . Its functional parent is tixocortol . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as pivalate ester  .  It is also related to or classified as thioester  . It is also related to or classified as corticosteroid .