anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C/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)/C(=O)[O-] is an acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions of 3-methylfumaroyl-CoA. It is a conjugate base of a 3-methylfumaryl-CoA.
The molecule CC[C@@H]1[C@@H](O)[NH+]2[C@H]3C[C@]45[C@@H](Nc6ccccc46)[C@@H]2C[C@@H]1C3[C@H]5OC(C)=O CC[C@@H]1[C@@H](O)[NH+]2[C@H]3C[C@]45[C@@H](Nc6ccccc46)[C@@H]2C[C@@H]1C3[C@H]5OC(C)=O is an indole alkaloid cation that is the conjugate acid of 17-O-acetylnorajmaline, obtained by protonation of the tertiary amino function.  Major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of 17-O-acetylnorajmaline . It is also related to or classified as indole alkaloid cation .
The molecule CCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CC[C@@H]5[C@H](C)CCCC(C)C)C)C)O)O)O is a cholesteryl glycoside in which cholesterol is linked glycosidically via its 3-hydroxy group to 6-O-myristoyl-alpha-D-glucose. Produced naturally by Helicobacter pylori, a bacteria that colonizes the stomach and which is associated with protection against asthma, it is also chemically synthesized as PI57.
The molecule O=C(O)/C=C/C=C/[C@@H]1[C@@H](C(=C[C@H]2[C@H]1[C@H]([C@H](O)CC2)C)C)C(=CCO)C O=C(O)/C=C/C=C/[C@@H]1[C@@H](C(=C[C@H]2[C@H]1[C@H]([C@H](O)CC2)C)C)C(=CCO)C is Carneic acid I. It is also related to or classified as medium-chain fatty acid  .
The molecule O=C1NC=2C(=O)C(=C(OC)C(C2)=O)[C@H](O)[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)C)C O=C1NC=2C(=O)C(=C(OC)C(C2)=O)[C@H](O)[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)C)C is 15-Hydroxygeldanamycin. It is also related to or classified as enol ether  . It is also related to or classified as enone  .
The molecule OC(=O)[C@@H]1CCC=N1 OC(=O)[C@@H]1CCC=N1 is A 1-pyrroline-5-carboxylic acid in which the chiral centre has S configuration. It is a conjugate acid of (S)-1-pyrroline-5-carboxylate . It is also related to or classified as 1-pyrroline-5-carboxylic acid  .
The molecule C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)O)[H])C C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)O)[H])C is A cholanic acid anion that is the conjugate base of ursocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as cholanic acid anion .
The molecule [H]C(C)=CC(O)=O [H]C(C)=CC(O)=O is A butenoic acid having the double bond at position C-2. It is a conjugate acid of but-2-enoate . It is also related to or classified as butenoic acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)([O-])OP(=O)([O-])O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is an organophosphate oxoanion arising from deprotonation of both free diphosphate OH groups of beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol. It is a conjugate base of a beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol.
The molecule O1OC(CC1C(OO)CCCCCCCC(OC)=O)/C=C/C=C/CC O1OC(CC1C(OO)CCCCCCCC(OC)=O)/C=C/C=C/CC is methyl 9-hydroperoxy-10,12-epidioxy-13,15-octadecadienoate. It is also related to or classified as fatty acid methyl ester  .
The molecule O1C([C@H](O)CC[C@@]1(C)C=C)(C)C O1C([C@H](O)CC[C@@]1(C)C=C)(C)C is Linalool oxide (trans-pyranoid). It is also related to or classified as linalool oxide pyranoside  .
The molecule O(C(=O)CCCCCCCCCCCCC(C)C)C O(C(=O)CCCCCCCCCCCCC(C)C)C is methyl 14-methylpentadecanoate. It is also related to or classified as fatty acid methyl ester  .
The molecule [H]O[Cr](=O)(=O)O[Cr](=O)(=O)O[H] [H]O[Cr](=O)(=O)O[Cr](=O)(=O)O[H] is dichromic acid. It is a conjugate acid of hydrogen dichromate . It is also related to or classified as chromium oxoacid .
The molecule CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC.C(=C\\C(=O)O)\\C(=O)O is the maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor. It has a role as an antineoplastic agent, a mTOR inhibitor and an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It contains a BGT226(1+).
The molecule ClC(Cl)(C(Cl)(Cl)[H])[H] ClC(Cl)(C(Cl)(Cl)[H])[H] is 1,1,2,2-tetrachlorethane-d2. It has the role of NMR solvent . It is also related to or classified as chloroethanes , deuterated compound .
The molecule CC(=CCC1=C(C(=CC(=C1)C(=O)O)O)[O-])C is the dihydroxybenzoate anion formed by loss of a proton from the carboxy group of 3,4-dihydroxy-5-polyprenylbenzoic acid. The major species present at pH 7.3, it is an intermediate in the formation of ubiquinone. It is a conjugate base of a 3,4-dihydroxy-5-polyprenylbenzoic acid.
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O)OCCCCCN [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O)OCCCCCN is A disaccharide derivative consisting of a beta-D-glucosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-3 an alpha-L-rhamnosyl residue. It is also related to or classified as glycoside  . It is also related to or classified as disaccharide derivative .
The molecule CC1CC2OC(=O)C(=C)C2CC2(C)C(O)C3OC3C12 CC1CC2OC(=O)C(=C)C2CC2(C)C(O)C3OC3C12 is an  azulenofuran that is decahydrooxireno[1,2]azuleno[6,5-b]furan-5(1aH)-one substituted by a hydroxy group at position 8, methyl groups at positions 2 and 7a and a methylidene group at position 6. It has the role of plant metabolite . It is also related to or classified as sesquiterpene lactone , azulenofuran .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@@H](C)CO)C)CNC C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@@H](C)CO)C)CNC is N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1(=CC(=C(C(C1(C)C)=O)C(/C=C(/C2=CC=CC=C2)\O)=O)O)OC C1(=CC(=C(C(C1(C)C)=O)C(/C=C(/C2=CC=CC=C2)\O)=O)O)OC is Syzygiol. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C=C3C(OC=C(C3=O)C4=CC=C(OC)C=C4)=C2)COC(=O)CC(O)=O O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C=C3C(OC=C(C3=O)C4=CC=C(OC)C=C4)=C2)COC(=O)CC(O)=O is afrormosin 7-o-(6''-malonylglucoside). It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule O.O.O.O.Cl[Mn]Cl is a hydrate that is the tetrahydrate form of manganese(II) chloride. It has a role as a nutraceutical and a MRI contrast agent. It is a hydrate, an inorganic chloride and a manganese coordination entity. It contains a manganese(II) chloride.
The molecule CCNC(=O)CC[C@H]([NH3+])C([O-])=O CCNC(=O)CC[C@H]([NH3+])C([O-])=O is an amino acid zwitterion of N(5)-ethyl-L-glutamine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It has the role of plant metabolite . It is also related to or classified as amino-acid zwitterion .
The molecule C(\CCCCCCCC(=O)N[C@H](C(O)=O)O)=C\CCCCCCCC C(\CCCCCCCC(=O)N[C@H](C(O)=O)O)=C\CCCCCCCC is an N-acyl-(2S)-hydroxyglycine resulting from the formal condensation of (9Z-octadecenoic acid (oleic acid) with the amino group of (2S)-hydroxyglycine. Its functional parent is oleic acid . It is a conjugate acid of N-(9Z-octadecenoyl)-(2S)-hydroxyglycinate . It is also related to or classified as N-acyl-(2S)-hydroxyglycine  .
The molecule NCCCCCC(=O)NCCCCCC(O)=O NCCCCCC(=O)NCCCCCC(O)=O is the N-(6-aminohexanoyl) derivative of 6-aminohexanoic acid. Its functional parent is hexanoic acid . It is a conjugate acid of N-(6-aminohexanoyl)-6-aminohexanoate . It is also related to or classified as monocarboxylic acid amide  .
The molecule O=C1C(=CCC(=O)O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@@]4([C@H]([C@@H]3[C@@H]5[C@@H](C[C@@H]1C)O5)O4)C)CC6=CC=CC=C6)C O=C1C(=CCC(=O)O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@@]4([C@H]([C@@H]3[C@@H]5[C@@H](C[C@@H]1C)O5)O4)C)CC6=CC=CC=C6)C is Epoxyrosellichalasin. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule [H][C@]12Cc3ccc(O)c(O)c3-c3cccc(CCN1C)c23 [H][C@]12Cc3ccc(O)c(O)c3-c3cccc(CCN1C)c23 is apomorphine. It has the role of emetic . It has the role of serotonergic drug . It has the role of antiparkinson drug . It has the role of alpha-adrenergic drug . It has the role of dopamine agonist . It has the role of antidyskinesia agent . It is also related to or classified as aporphine alkaloid .
The molecule C=1C(=CC=C(C1F)OC2=C3C(=NC=N2)NN=C3)NC(NC4=NOC(=C4)C(C)(C)C)=O C=1C(=CC=C(C1F)OC2=C3C(=NC=N2)NN=C3)NC(NC4=NOC(=C4)C(C)(C)C)=O is A member of the class of phenylureas that is urea in which one of the nitrogens has been substituted by a 5-tert-butyl-1,2-oxazol-3-yl group, while the other has been substituted by a 3-fluoro-4-hydroxyphenyl group, the hydroxy group has been converted to the corresponding 1H-pyrazolo[3,4-d]pyrimidin-4-yl ether. It is an FLT3 (fms-like tyrosine kinase 3)and Wnt/beta-catenin signaling inhibitor. It has the role of tyrosine kinase inhibitor . It has the role of Wnt signalling inhibitor .    It is also related to or classified as isoxazoles  . It is also related to or classified as monofluorobenzenes  . It is also related to or classified as phenylureas , aromatic ether , pyrazolopyrimidine .
The molecule CC(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-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/CCCCC(=O)[O-])O is an acyl-CoA oxoanion that is the pentaanion of trans-2-octenedioyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is a conjugate base of a trans-2-octenedioyl-CoA.
The molecule CC(CCNC(N)=N)C(N)C(O)=O CC(CCNC(N)=N)C(N)C(O)=O is A non-proteinogenic alpha-amino acid that is arginine carrying a methyl group at position 3. It is a rare amino acid produced by Pseudomonas syringae syringae, with a strong toxicity against Pseudomonas syringae glycinea, two soybean pathogens. It has the role of toxin . It has the role of antibacterial agent . It has the role of bacterial metabolite . Its functional parent is arginine .  It is also related to or classified as polar amino acid  . It is also related to or classified as guanidines , non-proteinogenic alpha-amino acid .
The molecule OC[C@H](O)[C@@H](O)[C@H](O)COP([O-])([O-])=O OC[C@H](O)[C@@H](O)[C@H](O)COP([O-])([O-])=O is dianion of xylitol 5-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. Its functional parent is xylitol . It is also related to or classified as organophosphate oxoanion .
The molecule CC1=CN(C(=O)NC1=O)C is a pyrimidone that is uracil with methyl group substituents at positions 1 and 5. It has a role as a metabolite. It derives from a uracil.
The molecule CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO is an organic disulfide that consists of two molecules of pantothenic acid linked by amide bonds to a cysteamine disulfide bridging group. It has the role of coenzyme . It has the role of nutraceutical . Its functional parent is pantothenic acid . It is also related to or classified as organic disulfide  .
The molecule O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@]4(O[C@]4([C@H]([C@@H]3C=CC[C@@H]([C@H]([C@H](C=C1)C)O)C)O)C)C)CC5=CC=CC=C5 O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@]4(O[C@]4([C@H]([C@@H]3C=CC[C@@H]([C@H]([C@H](C=C1)C)O)C)O)C)C)CC5=CC=CC=C5 is Epoxycytochalasin Z8. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule [C@](CO/C=C\CCCCCCCCCCCCCCCC)(OC(=O)CCC/C=C\C\C=C/C=C/[C@H](C/C=C\CCCCC)O)([H])COP(OCCN)(O)=O [C@](CO/C=C\CCCCCCCCCCCCCCCC)(OC(=O)CCC/C=C\C\C=C/C=C/[C@H](C/C=C\CCCCC)O)([H])COP(OCCN)(O)=O is PE(P-18:0/20:4(5Z,8Z,10E,14Z)(12OH[S])).  It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine  . It is also related to or classified as oxidized glycerophosphoethanolamine .
The molecule C1=CC=C2C(=C1)C(=O)NS2 is an organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion. It has a role as a disinfectant, a platelet aggregation inhibitor, an environmental contaminant, a xenobiotic, a drug allergen and a sensitiser. It is an organonitrogen heterocyclic compound and an organic heterobicyclic compound.
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC is N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O is A D-xylopyranose in with an alpha-configuration at the anomeric position. It has the role of algal metabolite . It is also related to or classified as D-xylopyranose  .
The molecule O=C(O)C[C@@H]1[C@H]([C@@H](O)CC1)C/C=C\CC O=C(O)C[C@@H]1[C@H]([C@@H](O)CC1)C/C=C\CC is 7-iso-cucurbic acid. Its functional parent is jasmonic acid . It is also related to or classified as lipid  .
The molecule [Br-].[Br-].[H][C@]12C[C@@]3([H])[C@@]4(CC[N@@+]3(CC=C)C\C1=C\CO)c1ccccc1N1\C=C3\[C@@]5([H])C[C@@]6([H])[C@@]7(CC[N@@+]6(CC=C)C\C5=C\CO)c5ccccc5N(\C=C2/[C@@]41[H])[C@@]37[H] [Br-].[Br-].[H][C@]12C[C@@]3([H])[C@@]4(CC[N@@+]3(CC=C)C\C1=C\CO)c1ccccc1N1\C=C3\[C@@]5([H])C[C@@]6([H])[C@@]7(CC[N@@+]6(CC=C)C\C5=C\CO)c5ccccc5N(\C=C2/[C@@]41[H])[C@@]37[H] is the organic bromide salt of alcuronium. It has the role of drug allergen . It is also related to or classified as organic bromide salt .
The molecule N1([C@@H](CCCC1)C(=O)O)O N1([C@@H](CCCC1)C(=O)O)O is an N-hydroxypipecolic acid in which the chiral centre has L configuration. Its functional parent is L-pipecolic acid . It is also related to or classified as N-hydroxypipecolic acid  .
The molecule C(C(CO)(C(=O)O)N)O is a serine derivative in which the alpha-hydrogen of serine is replaced by a hydroxymethyl group. It is an aminodiol, a dihydroxy monocarboxylic acid and a serine derivative.
The molecule [O-]C(=O)CC=[N+]([O-])[O-] [O-]C(=O)CC=[N+]([O-])[O-] is dianion of 3-aci-nitropropanoic acid arising from deprotonation of carboxy and nitro groups; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)CO)O)O)O is this compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. It is a glycoside and a member of indoles.
The molecule [C@](CO/C=C\CCCCCCCCCCCCCC)(OC(=O)CCC/C=C\C/C=C\C=C\[C@H](C/C=C\CCCCC)O)([H])COP(OCCN)(O)=O [C@](CO/C=C\CCCCCCCCCCCCCC)(OC(=O)CCC/C=C\C/C=C\C=C\[C@H](C/C=C\CCCCC)O)([H])COP(OCCN)(O)=O is PE(P-16:0/20:4(5Z,8Z,10E,14Z)(12OH[S])).  It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine  . It is also related to or classified as oxidized glycerophosphoethanolamine .
The molecule OC[C@]1(O)OC[C@@H](O)[C@H]1O OC[C@]1(O)OC[C@@H](O)[C@H]1O is A D-ribulose with an alpha-configuration at the anomeric position. It is also related to or classified as D-ribulose  .
The molecule CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@H]([C@@H](C5(C)C)OC(=O)C6=CC(=C(C=C6)O)OC)C(=O)O)C)C)C(=O)O is a pentacyclic triterpenoid, a dicarboxylic acid, an aromatic ether and a member of phenols. It has a role as a plant metabolite. It derives from a vanillic acid.
The molecule O=C1C(=CCC(=O)O[C@@]23C(=O)N[C@H]([C@@H]2[C@]4(C)[C@]([C@H]([C@@H]3C=CC[C@@H]1C)O)(O4)C)CC5=CC=CC=C5)C O=C1C(=CCC(=O)O[C@@]23C(=O)N[C@H]([C@@H]2[C@]4(C)[C@]([C@H]([C@@H]3C=CC[C@@H]1C)O)(O4)C)CC5=CC=CC=C5)C is Epoxycytochalasin Z17. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule O[C@@H]1CO[C@H](OP(O)(O)=O)[C@H](O)[C@H]1O O[C@@H]1CO[C@H](OP(O)(O)=O)[C@H](O)[C@H]1O is A xylose phosphate that is alpha-D-xylose carrying a phosphate group at position 1. Its functional parent is alpha-D-xylose . It is a conjugate acid of alpha-D-xylose 1-phosphate(2-) . It is also related to or classified as xylose phosphate .
The molecule [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C(C)=C)[C@]21[H])C(O)=O [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C(C)=C)[C@]21[H])C(O)=O is A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-carboxy substituents. It is found in the bark and other plant parts of several species of plants including Syzygium claviflorum. It exhibits anti-HIV, antimalarial, antineoplastic and anti-inflammatory properties. It has the role of antineoplastic agent . It has the role of antimalarial . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It has the role of anti-HIV agent . It has the role of anti-inflammatory agent . It has the role of plant metabolite . It is also related to or classified as pentacyclic triterpenoid , hydroxy monocarboxylic acid .
The molecule CC1=CC[C@H]([C@]([C@H]1CC[C@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)(C)CCC(=O)OC)C(=C)C is a triterpenoid that is the methyl ester of lansiolic acid. It has been isolated from the twigs of Lansium domesticum. It has a role as an antibacterial agent and a plant metabolite. It is a secondary alcohol, a triterpenoid and a methyl ester. It derives from a lansiolic acid.
The molecule [O-]C(=O)\C=C1OC(=O)C(Cl)=C/1 [O-]C(=O)\C=C1OC(=O)C(Cl)=C/1 is the conjugate base of trans-2-chloro-4-carboxymethylenebut-2-en-1,4-olide; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 is 1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=C(C(=C(C=C1O)OC)O)C/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C is a polyprenylhydroquinone in which the polyprenyl substituent is decaprenyl at C-2; additional methyl and methoxy groups are also present at positions C-3 and C-6 respectively. It is a polyprenylhydroquinone and a member of hydroquinones.
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC(C1)=O)[H])[H])(CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(O)=O)O)O)O)[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC(C1)=O)[H])[H])(CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(O)=O)O)O)O)[H])C)[H])C is A steroid glucosiduronic acid that is 5alpha-dihydrotestosterone having a beta-D-glucuronosyl-(1->2)-glucuronic acid residue attached at position 17. Its functional parent is 17beta-hydroxy-5alpha-androstan-3-one . It is a conjugate acid of 5alpha-dihydrotestosterone 17-O-[beta-D-glucuronosyl-(1->2)-glucuronide](2-) . It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as steroid glucosiduronic acid , disaccharide derivative .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4 is N-[(3S,9S,10R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)[O-])O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O is an organic anion obtained by selective deprotonation of the 7-hydroxy group of kaempferol 3-O-beta-D-galactoside; major species at pH 7.3. It is a conjugate base of a kaempferol 3-O-beta-D-galactoside.
The molecule CS(=O)C1=CC(=CC(=C1O)CO)O is a benzyl alcohol with hydroxy substituents at positions 2 and 5 and a methanesulfinyl group at position 3. It is a fungal secondary metabolite from Ampelomyces sp. SC0307 and has antibacterial activity against Escherichia coli, Pseudomonas aeruginosa and Proteus vulgaris. It has a role as a metabolite and an antibacterial agent. It is a sulfoxide, a member of benzyl alcohols and a member of hydroquinones.
The molecule O[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c1cc(O)c(O)c(O)c1 O[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c1cc(O)c(O)c(O)c1 is the (2S,3S)-stereoisomer of dihydromyricetin. It is also related to or classified as dihydromyricetin  . It is also related to or classified as secondary alpha-hydroxy ketone  .
The molecule CCCCC(O)C(O)CO CCCCC(O)C(O)CO is A triol comprising heptane substituted with hydroxy groups at C-1, -2 and -3. It is also related to or classified as triol .
The molecule O=C1C2=C(C(O)=CC=C2[C@@H]3O[C@@H]([C@@H](N(C)C)CC3)C)[C@H](O)C45C1(O4)[C@@H](O)[C@@H](CC(=O)O)O[C@@H]5C O=C1C2=C(C(O)=CC=C2[C@@H]3O[C@@H]([C@@H](N(C)C)CC3)C)[C@H](O)C45C1(O4)[C@@H](O)[C@@H](CC(=O)O)O[C@@H]5C is Qinimycin C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C(C(Cl)(F)F)(F)(Cl)Cl C(C(Cl)(F)F)(F)(Cl)Cl is 1,1,2-Trichlorotrifluoroethane. It has the role of NMR solvent . It has the role of refrigerant . It is also related to or classified as chlorofluorocarbon , haloalkane .
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O is the D-enantiomer of dTDP-galactose. It is a conjugate acid of dTDP-D-galactose(2-) . It is also related to or classified as dTDP-galactose .
The molecule [CH](C(=O)O)N is an alpha-amino-acid radical derived from glycine. It has a role as a fundamental metabolite. It derives from a glycine.
The molecule COC1=CC(\C=C\C(=O)NCCCN(CCCCNC(=O)\C=C\C2=CC(OC)=C(O)C(O)=C2)C(=O)\C=C\C2=CC(OC)=C(O)C(O)=C2)=CC(O)=C1O COC1=CC(\C=C\C(=O)NCCCN(CCCCNC(=O)\C=C\C2=CC(OC)=C(O)C(O)=C2)C(=O)\C=C\C2=CC(OC)=C(O)C(O)=C2)=CC(O)=C1O is A N(1),N(5),N(10)-tri-(5-hydroxyferuloyl)-spermidine in which the three double bonds adopt trans-configuration. Its functional parent is (E)-5-hydroxyferulic acid . It is also related to or classified as N(1),N(5),N(10)-tri-(5-hydroxyferuloyl)-spermidine  .