anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COC1=CC(=C(C=C1Cl)OC)Cl is a dimethoxybenzene that is p-dimethoxybenzene which is substituted by chlorines at positions 2 and 5. A fungicide formerly used as a seed treatment, it is not approved for use in the European Union. It has a role as an antifungal agrochemical. It is a dimethoxybenzene, a dichlorobenzene and an aromatic fungicide.
The molecule [H]C(C)=CCCC(O)=O [H]C(C)=CCCC(O)=O is A hexenoic acid with the double bond at position 4. It is also related to or classified as hexenoic acid .
The molecule [C@@H]1(CC/C(/C)=C/COP(OP(=O)([O-])[O-])(=O)[O-])[C@](CC[C@]2([C@@]1(C)CCCC2(C)C)[H])(O)C [C@@H]1(CC/C(/C)=C/COP(OP(=O)([O-])[O-])(=O)[O-])[C@](CC[C@]2([C@@]1(C)CCCC2(C)C)[H])(O)C is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of ent-copal-8-ol diphosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule ClC1=C(OC)C(=C(O)C(=C1C)Cl)[C@H]2C3=C(C(O)=CC(=C3C[C@@H]2C(=C)C)O)C=O ClC1=C(OC)C(=C(O)C(=C1C)Cl)[C@H]2C3=C(C(O)=CC(=C3C[C@@H]2C(=C)C)O)C=O is (+)-pestalachloride F. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C1=CC2=C(C=C1)C=3CC[N+]4=CC(=C[C@@](C4)(C[C@H](C3N2)C(OC)=O)[H])CC C1=CC2=C(C=C1)C=3CC[N+]4=CC(=C[C@@](C4)(C[C@H](C3N2)C(OC)=O)[H])CC is (-)-16-carbomethoxycleaviminium.  It is also related to or classified as methyl ester  . It is also related to or classified as organic tetracyclic compound , alkaloid ester , monoterpenoid indole alkaloid .
The molecule N(CCOP(OC[C@@H](COC(CCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)[O-])C(=O)CCCCCCC/C=C\CCCCCCCC N(CCOP(OC[C@@H](COC(CCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)[O-])C(=O)CCCCCCC/C=C\CCCCCCCC is an N-oleoylphosphatidylethanolamine(1-) in which the acyl groups at positions 1 and 2 are both specified as heptadecanoyl. Its functional parent is oleate . Its functional parent is margarate . It is also related to or classified as N-oleoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine(1-)  .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)OS([O-])(=O)=O)O)C([O-])=O)[H])[H])(CCC4=O)[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)OS([O-])(=O)=O)O)C([O-])=O)[H])[H])(CCC4=O)[H])C)[H])C is A steroid glucuronide anion that is the conjugate base of etiocholan-3alpha-ol-17-one 3-O-(3-sulfo-beta-D-glucuronide) arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3. It is also related to or classified as steroid glucosiduronic acid anion .
The molecule [Na+].[Na+].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].O[B-]1(O)OO[B-](O)(O)OO1 [Na+].[Na+].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].O[B-]1(O)OO[B-](O)(O)OO1 is disodium perborate hexahydrate. It has the role of bleaching agent . It is also related to or classified as hydrate .
The molecule COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O is A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases. It has the role of anticoronaviral agent . It has the role of mycotoxin . It has the role of antimicrobial agent . It has the role of antineoplastic agent . It has the role of xenobiotic . It has the role of immunosuppressive agent . It has the role of EC 1.1.1.205 (IMP dehydrogenase) inhibitor . It has the role of Penicillium metabolite . It has the role of environmental contaminant . Its functional parent is hex-4-enoic acid . It is a conjugate acid of mycophenolate .  It is also related to or classified as phenols  . It is also related to or classified as gamma-lactone  . It is also related to or classified as monocarboxylic acid , 2-benzofurans .
The molecule N(C(CCCCCCCCCCCCCCC)=O)CCOP(OC[C@@H](COC(CCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)[O-] N(C(CCCCCCCCCCCCCCC)=O)CCOP(OC[C@@H](COC(CCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)[O-] is an N-hexadecanoylphosphatidylethanolamine(1-) in which the acyl groups at positions 1 and 2 are both specified as heptadecanoyl. Its functional parent is margarate . Its functional parent is hexadecanoate . It is also related to or classified as N-hexadecanoylphosphatidylethanolamine(1-)  .
The molecule O=C(CCCCCCCCCCCC)C=CC=CC(O)=O O=C(CCCCCCCCCCCC)C=CC=CC(O)=O is Oxo-octadecadienoic acid. It is also related to or classified as octadecanoid , oxo fatty acid .
The molecule C1CCC([C@@]2([C@@]1([C@]3([C@]4(CC2)CC([C@H](C3)CC4)=C)[H])C)[H])(C)C C1CCC([C@@]2([C@@]1([C@]3([C@]4(CC2)CC([C@H](C3)CC4)=C)[H])C)[H])(C)C is A diterpene that is the enantiomer of atisane which has undergone formal dehydrogenation to indroduce an exocyclic double bond at position 16. It has the role of plant metabolite .  It is also related to or classified as diterpene  . It is also related to or classified as polycyclic hydrocarbon , olefinic compound .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)[H])[H])(CCC4=O)[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)[H])[H])(CCC4=O)[H])C)[H])C is A steroid glucuronide anion that is the conjugate base of etiocholan-3alpha-ol-17-one 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic group; major species at pH 7.3. It is also related to or classified as steroid glucosiduronic acid anion .
The molecule P(OC[C@@H](COC(CCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)(OCC[NH3+])[O-] P(OC[C@@H](COC(CCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)(OCC[NH3+])[O-] is A phosphatidylethanolamine 34:0 zwitterion in which the acyl groups at positions 1 and 2 are both specified as heptadecanoyl. It is also related to or classified as phosphatidylethanolamine 34:0 zwitterion  .
The molecule CCCCC(O)CCCCCCCO CCCCC(O)CCCCCCCO is A medium-chain primary fatty alcohol that is dodecane carrying hydroxy groups at positions 1 and 8. It is also related to or classified as medium-chain primary fatty alcohol  . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as dodecanediol  .
The molecule N[C@@H]1[C@@H](O)C(O)O[C@H](CO)[C@H]1O N[C@@H]1[C@@H](O)C(O)O[C@H](CO)[C@H]1O is the pyranose form of D-kanosamine. Its functional parent is D-glucopyranose . It is also related to or classified as D-kanosamine .
The molecule C(C[NH3+])OP(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCC)(=O)[O-] C(C[NH3+])OP(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCC)(=O)[O-] is 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the acyl groups at positions 1 and 2 are specified as heptanoyl and hexanoyl respectively. Its functional parent is hexanoate . Its functional parent is heptanoate . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion  .
The molecule O[C@]12CC[C@H]([C@@](C1=O)(CC=C(C)C)C(=O)C=C2)C3=CC=C(O)C=C3 O[C@]12CC[C@H]([C@@](C1=O)(CC=C(C)C)C(=O)C=C2)C3=CC=C(O)C=C3 is (+)-Acutifolin A.  It is also related to or classified as alkylbenzene  . It is also related to or classified as ring assembly .
The molecule C(C[NH3+])OP(OC[C@@H](COC(CCCCC)=O)OC(=O)CCCCC)(=O)[O-] C(C[NH3+])OP(OC[C@@H](COC(CCCCC)=O)OC(=O)CCCCC)(=O)[O-] is 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the acyl groups at positions 1 and 2 are both specified as hexanoyl. Its functional parent is hexanoate . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion  .
The molecule [Sc+3] [Sc+3] is A monoatomic trication derived from scandium. It is also related to or classified as scandium cation .
The molecule P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCCCCCCCCC)(=O)(OCC[N+](C)(C)C)[O-] P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCCCCCCCCC)(=O)(OCC[N+](C)(C)C)[O-] is A phosphatidylcholine 30:0 in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and dodecananoyl respectively. Its functional parent is octadecanoic acid . Its functional parent is dodecanoic acid . It is also related to or classified as phosphatidylcholine 30:0  .
The molecule COc1cc2n(C)c3ccccc3c(=O)c2c(O)c1OC COc1cc2n(C)c3ccccc3c(=O)c2c(O)c1OC is Arborinine. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule N12C3=C(C(=C1CC[C@@H](C2=O)CC4=C(C)NC=N4)C)C=CC=C3 N12C3=C(C(=C1CC[C@@H](C2=O)CC4=C(C)NC=N4)C)C=CC=C3 is an organic heterotricyclic compound that is 8,9-dihydropyrido[1,2-a]indol-6(7H)-one substituted by a (5-methyl-1H-imidazol-4-yl)methyl group at position 7R and a methyl group at position 10. It is a dual 5-HT3 and 5-HT4 receptors antagonist whose clinical development was terminated in phase II. It was being developed for the treatment of chemotherapy-induced emesis and irritable bowel syndrome. It has the role of serotonergic antagonist . It has the role of antiemetic . It is also related to or classified as imidazoles , organic heterotricyclic compound .
The molecule P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCCCCCC)(=O)(OCC[N+](C)(C)C)[O-] P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCCCCCC)(=O)(OCC[N+](C)(C)C)[O-] is A phosphatidylcholine 27:0 in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and nonanoyl respectively. Its functional parent is octadecanoic acid . Its functional parent is nonanoic acid . It is also related to or classified as phosphatidylcholine 27:0  .
The molecule O1C(C2=CC(OC)=C(OCC=C(C)C)C=C2)=C(OC)C(=O)C=3C1=CC(O)=CC3O O1C(C2=CC(OC)=C(OCC=C(C)C)C=C2)=C(OC)C(=O)C=3C1=CC(O)=CC3O is 5,7-Dihydroxy-3-methoxy-2-[3-methoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-4H-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H]OO[B-](O[H])(O[H])O[H] [H]OO[B-](O[H])(O[H])O[H] is hydroperoxo(trihydroxo)borate(1-). Its functional parent is boric acid . It is also related to or classified as boron oxoanion .
The molecule P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCCCCC)(=O)(OCC[N+](C)(C)C)[O-] P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCCCCC)(=O)(OCC[N+](C)(C)C)[O-] is A phosphatidylcholine 26:0 in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and octanoyl respectively. Its functional parent is octanoic acid . Its functional parent is octadecanoic acid . It is also related to or classified as phosphatidylcholine 26:0  .
The molecule [Pb++] [Pb++] is lead(2+). It has the role of cofactor . It is also related to or classified as monoatomic dication  . It is also related to or classified as divalent metal cation , lead cation .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2O)C4=CC=C(O)C=C4)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2O)C4=CC=C(O)C=C4)CO is 6-Hydroxykaempferol 7-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCCC)(=O)(OCC[N+](C)(C)C)[O-] P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCCC)(=O)(OCC[N+](C)(C)C)[O-] is A phosphatidylcholine 24:0 in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and hexanoyl respectively. Its functional parent is octadecanoic acid . Its functional parent is hexanoic acid . It is also related to or classified as phosphatidylcholine 24:0  .
The molecule P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCC)(=O)(OCC[N+](C)(C)C)[O-] P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCC)(=O)(OCC[N+](C)(C)C)[O-] is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and pentanoyl respectively. Its functional parent is valeric acid . Its functional parent is octadecanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .
The molecule O1C=2C(C(=O)C(OC)=C1C3=CC(O)=C(OC)C=C3)=C(O)C=C(OCC=C(C)C)C2 O1C=2C(C(=O)C(OC)=C1C3=CC(O)=C(OC)C=C3)=C(O)C=C(OCC=C(C)C)C2 is 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule OC[C@H]1O[C@@H](Oc2c(oc3cc([O-])cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@@H](Oc2c(oc3cc([O-])cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O 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 also related to or classified as organic anion .
The molecule O[C@H]1C[C@]2([C@]3([C@@]([C@@]4(C(=CC3)C[C@H](O)CC4)C)(CC[C@@]2(C1=O)C)[H])[H])[H] O[C@H]1C[C@]2([C@]3([C@@]([C@@]4(C(=CC3)C[C@H](O)CC4)C)(CC[C@@]2(C1=O)C)[H])[H])[H] is 3a,16b-Dihydroxyandrostenone. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(C)=O)O[C@@H]2[C@@H]([C@H](C(O[C@@H]2CO)O)O)O [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(C)=O)O[C@@H]2[C@@H]([C@H](C(O[C@@H]2CO)O)O)O is an amino disaccharide composed of N-acetyl-D-glucosamine and D-galactose residues in a beta(1->4) linkage. It is also related to or classified as amino disaccharide .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CCC/C=C/CCCCCCCC)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CCC/C=C/CCCCCCCC)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (5E)-tetradecenoic acid. It has the role of rat metabolite . It is a conjugate acid of (5E)-tetradecenoyl-CoA(4-) .  It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as 11,12-saturated fatty acyl-CoA  . It is also related to or classified as monounsaturated fatty acyl-CoA .
The molecule O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=C(C=C(C=C2)C=3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C)C O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=C(C=C(C=C2)C=3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C)C is 5,7,4'-Trihydroxy-3'-C-methylflavone 4'-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(C)=O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O[C@@H]3[C@H](C(O[C@@H]([C@@H]3O)CO)O)O)O)O [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(C)=O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O[C@@H]3[C@H](C(O[C@@H]([C@@H]3O)CO)O)O)O)O is A linear amino trisaccharide consisting of N-acetyl-beta-Dglucosamine, alpha-D-galactose and D-galactose residues joined in sequence by (1->4) and (1->3)linkages respectively. It is also related to or classified as amino trisaccharide .
The molecule O1C=2C(C(=O)C(OC)=C1C3=CC(OC)=C(O)C=C3)=C(O)C=C(OCC=C(C)C)C2 O1C=2C(C(=O)C(OC)=C1C3=CC(OC)=C(O)C=C3)=C(O)C=C(OCC=C(C)C)C2 is 5,4'-Dihydroxy-3,3'-dimethoxy-7-prenyloxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C(C(CC)OC1=CC(=C(C=C1)F)C(F)(F)F)(NCC2=CC=CC=C2)=O C(C(CC)OC1=CC(=C(C=C1)F)C(F)(F)F)(NCC2=CC=CC=C2)=O is A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 2-[4-fluoro-3-(trifluoromethyl)phenoxy]butyric acid with the amino group of benzylamine. Its functional parent is benzylamine . It is also related to or classified as monocarboxylic acid amide  .   It is also related to or classified as monofluorobenzenes  . It is also related to or classified as aromatic ether , (trifluoromethyl)benzenes .
The molecule C1[C@@]2([C@]3(CC[C@]4(C)[C@](CC[C@]4([C@@]3(CC=C2C[C@H](C1)OS([O-])(=O)=O)[H])[H])(C(COS([O-])(=O)=O)=O)[H])[H])C C1[C@@]2([C@]3(CC[C@]4(C)[C@](CC[C@]4([C@@]3(CC=C2C[C@H](C1)OS([O-])(=O)=O)[H])[H])(C(COS([O-])(=O)=O)=O)[H])[H])C is A  21-hydroxypregnenolone disulfate anion obtained by deprotonation of both sulfate groups of 21-hydroxypregnenolone disulfate. It is also related to or classified as 21-hydroxypregnenolone disulfate anion .
The molecule C(C[N+](C)(C)C)OP(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCCCCCCCCCCCC)(=O)[O-] C(C[N+](C)(C)C)OP(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCCCCCCCCCCCC)(=O)[O-] is 1-acyl-2-palmitoyl-sn-glycero-3-phosphocholine in which the 1-acyl group is specified as heptanoyl. Its functional parent is heptanoic acid . It is also related to or classified as 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine  .
The molecule C(C[N+](C)(C)C)OP(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(=O)CCCCCC)(=O)[O-] C(C[N+](C)(C)C)OP(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(=O)CCCCCC)(=O)[O-] is 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine in which the 2-acyl group is specified as heptanoyl. Its functional parent is heptanoic acid . It is also related to or classified as 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine  .
The molecule P(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCC)(=O)(OCC[N+](C)(C)C)[O-] P(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCC)(=O)(OCC[N+](C)(C)C)[O-] is A phosphatidylcholine 13:0 in which the acyl groups at positions 1 and 2 are specified as heptanoyl and hexanoyl respectively. Its functional parent is hexanoic acid . Its functional parent is heptanoic acid . It is also related to or classified as phosphatidylcholine 13:0  .
The molecule OC(=O)CCCCCCCCCCCCCCCCC([2H])([2H])[2H] OC(=O)CCCCCCCCCCCCCCCCC([2H])([2H])[2H] is Stearic acid(d3). It is also related to or classified as long-chain fatty acid  . It is also related to or classified as deuterated fatty acid .
The molecule P(OC[C@@H](COC(CCCCC)=O)OC(=O)CCCCCC)(=O)(OCC[N+](C)(C)C)[O-] P(OC[C@@H](COC(CCCCC)=O)OC(=O)CCCCCC)(=O)(OCC[N+](C)(C)C)[O-] is A 1-hexanoyl-2-acyl-sn-glycero-3-phosphocholine in which the acyl group at position 2 is specified as heptanoyl. Its functional parent is hexanoic acid . Its functional parent is heptanoic acid . It is also related to or classified as phosphatidylcholine 13:0  . It is also related to or classified as 1-hexanoyl-2-acyl-sn-glycero-3-phosphocholine  .
The molecule ClC1=C(OC)C(=C(O)C(=C1C)Cl)[C@@H]2C3=C(C(O)=CC(=C3C[C@H]2C(O)(C)C)O)C=O ClC1=C(OC)C(=C(O)C(=C1C)Cl)[C@@H]2C3=C(C(O)=CC(=C3C[C@H]2C(O)(C)C)O)C=O is (-)-pestalachloride E. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule P(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCCC)(=O)(OCC[N+](C)(C)C)[O-] P(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCCC)(=O)(OCC[N+](C)(C)C)[O-] is A phosphatidylcholine 14:0 in which both acyl groups are specified as heptanoyl. It has the role of detergent . Its functional parent is heptanoic acid . It is also related to or classified as phosphatidylcholine 14:0  .
The molecule O1C2=C(C(=O)C(OC)=C1C3=CC=C(OCC=C(C)C)C=C3)C(O)=C(OC)C(O)=C2 O1C2=C(C(=O)C(OC)=C1C3=CC=C(OCC=C(C)C)C=C3)C(O)=C(OC)C(O)=C2 is 5,7-Dihydroxy-3,6-dimethoxy-4'-prenyloxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C=12C(C(=C(C(C1N3[C@@]([C-]2COC(N)=O)([C@@]4([C@](C3)(N4)[H])[H])O)=O)C)OC)=O C=12C(C(=C(C(C1N3[C@@]([C-]2COC(N)=O)([C@@]4([C@](C3)(N4)[H])[H])O)=O)C)OC)=O is major microspecies at pH 7.3. It is also related to or classified as mitomycin , organic anion .
The molecule P(OC[C@@H](COC(CCCCC)=O)OC(=O)CCCCC)(=O)(OCC[N+](C)(C)C)[O-] P(OC[C@@H](COC(CCCCC)=O)OC(=O)CCCCC)(=O)(OCC[N+](C)(C)C)[O-] is A phosphatidylcholine 12:0 in which both acyl groups are specified as hexanoyl. It has the role of surfactant . Its functional parent is hexanoic acid . It is also related to or classified as phosphatidylcholine 12:0  .
The molecule C[NH2+]CCP(O)([O-])=O C[NH2+]CCP(O)([O-])=O is A zwitterion resulting from the transfer of a proton from the phosphonic acid group to the amino group of 2-methylaminoethylphosphonic acid; the major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule CCCC[C@@H](N)C(O)=O CCCC[C@@H](N)C(O)=O is the D-enantiomer of 2-aminohexanoic acid. It is also related to or classified as 2-aminohexanoic acid  .
The molecule O1C(C1COC2=C(OC)C=3OC(=C(OC)C(=O)C3C(O)=C2)C4=CC=CC=C4)(C)C O1C(C1COC2=C(OC)C=3OC(=C(OC)C(=O)C3C(O)=C2)C4=CC=CC=C4)(C)C is Gnaphaliin 7-epoxymethylbutyl ether. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O1C2=C(C(=O)C(OC)=C1C3=CC=C(OCC=C(C)C)C=C3)C(O)=CC(O)=C2OC O1C2=C(C(=O)C(OC)=C1C3=CC=C(OCC=C(C)C)C=C3)C(O)=CC(O)=C2OC is 5,7-Dihydroxy-3,8-dimethoxy-4'-prenyloxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C([C@H](CC)OC1=CC(=C(C=C1)F)C(F)(F)F)(NCC2=CC=CC=C2)=O C([C@H](CC)OC1=CC(=C(C=C1)F)C(F)(F)F)(NCC2=CC=CC=C2)=O is an N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide that has S configuration. It is also related to or classified as N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide  .
The molecule O.Cc1ccc(cc1)S([O-])(=O)=O.[NH3+][C@@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F O.Cc1ccc(cc1)S([O-])(=O)=O.[NH3+][C@@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F is A hydrate that is the monohydrate form of (S)-tosufloxacin tosylate. It is also related to or classified as hydrate .
The molecule C1C=2C(N(C([C@](C1)(N[C@H](C(=O)O)CCC3=CC=CC=C3)[H])=O)CC(O)=O)=CC=CC2 C1C=2C(N(C([C@](C1)(N[C@H](C(=O)O)CCC3=CC=CC=C3)[H])=O)CC(O)=O)=CC=CC2 is A benzazepine that is 1,3,4,5-tetrahydro-2H-1-benzazepin-2-one in which the hydrogen attached to the nitrogen is replaced by a carboxy methyl group and in which the 3-pro-S hydrogen is replaced by the amino group of (2S)-2-amino-4-phenylbutanoic acid. An angiotensin-converting enzyme inhibitor, it is used as its monoester prodrug benazepril in the treatment of hypertension and heart failure. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor . It is also related to or classified as lactam  . It is also related to or classified as benzazepine  . It is also related to or classified as dicarboxylic acid .
The molecule C([C@@H](CC)OC1=CC(=C(C=C1)F)C(F)(F)F)(NCC2=CC=CC=C2)=O C([C@@H](CC)OC1=CC(=C(C=C1)F)C(F)(F)F)(NCC2=CC=CC=C2)=O is an N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide that has R configuration. It is also related to or classified as N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide  .
The molecule O1[C@@H](CCC=2C1=C(C(OC)=CC2OC)C)C3=CC=C(O)C=C3 O1[C@@H](CCC=2C1=C(C(OC)=CC2OC)C)C3=CC=C(O)C=C3 is 4'-Hydroxy-5,7-dimethoxy-8-methylflavan. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CCCCCCCCCCC(O)CO CCCCCCCCCCC(O)CO is A medium-chain primary fatty alcohol that is dodecane carrying hydroxy groups at positions 1 and 2. It has the role of antibacterial agent . It has the role of antifungal agent . It is also related to or classified as medium-chain primary fatty alcohol  . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as dodecanediol  .
The molecule C(CCC)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(OCC[N+](C)(C)C)=O C(CCC)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(OCC[N+](C)(C)C)=O is an acylcholine obtained by formal condensation of the carboxy group of arachidonic acid with the hydroxy group of choline. It has the role of cholinergic agonist . Its functional parent is arachidonic acid . It is also related to or classified as acylcholine  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O)O[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)C(=O)O)O)O is a tetrasaccharide consisting of three 3-deoxy-D-manno-oct-2-ulose residues and a single N-acetylglucosamine residue in a linear sequence, joined via alpha-linkages. It has a role as an epitope. It is an amino tetrasaccharide and a glucosamine oligosaccharide.