anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(S2)Br C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(S2)Br is N-[(5-bromo-2-thiophenyl)methylideneamino]-2-pyridinecarboxamide. It is also related to or classified as pyridinemonocarboxylic acid , aromatic carboxylic acid .
The molecule Oc1ccc(cc1)S(=O)(=O)c1ccc(O)cc1 Oc1ccc(cc1)S(=O)(=O)c1ccc(O)cc1 is A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups. It has the role of endocrine disruptor . It has the role of metabolite . Its functional parent is diphenyl sulfone .  It is also related to or classified as sulfone  . It is also related to or classified as bisphenol .
The molecule C(CNCCNCCN)N is a polyazaalkane that is decane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogens. It is a tetramine and a polyazaalkane.
The molecule C1=C2C(CC[C@]3([C@@]4(C[C@@H]([C@@H]([C@]4(CC[C@@]32[H])C)O)O)[H])[H])=CC(=C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O C1=C2C(CC[C@]3([C@@]4(C[C@@H]([C@@H]([C@]4(CC[C@@]32[H])C)O)O)[H])[H])=CC(=C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O is A steroid glucuronide anion that is the conjugate base of 16-epiestriol 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as beta-D-glucosiduronate  . It is also related to or classified as steroid glucosiduronic acid anion .
The molecule C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)C(=O)NC3=CC(=CC=C3)F)N=N2)[C@@H](C)CO C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)C(=O)NC3=CC(=CC=C3)F)N=N2)[C@@H](C)CO is 3-(3-fluorophenyl)-1-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@]1(CC(O)=O)[C@H](CCC(O)=O)C2=CC3=[N+]4C(=Cc5c(CC(O)=O)c(CCC(O)=O)c6C=C7C(CCC(O)=O)=C(CC(O)=O)C8=[N+]7[Fe--]4(N2C1=C8)n56)[C@@H](CCC(O)=O)[C@]3(C)CC(O)=O C[C@]1(CC(O)=O)[C@H](CCC(O)=O)C2=CC3=[N+]4C(=Cc5c(CC(O)=O)c(CCC(O)=O)c6C=C7C(CCC(O)=O)=C(CC(O)=O)C8=[N+]7[Fe--]4(N2C1=C8)n56)[C@@H](CCC(O)=O)[C@]3(C)CC(O)=O is siroheme. It has the role of cofactor . It has the role of Escherichia coli metabolite . It is a conjugate acid of siroheme(8-) . It is also related to or classified as heme  .
The molecule O=C1C2=C(O)C3=C(C4=C(O)C(=C(CCCCC)C=C4C[C@@H]3O)C(=O)O)C=C2C(=O)C=5C1=C(O)C=C(O)C5 O=C1C2=C(O)C3=C(C4=C(O)C(=C(CCCCC)C=C4C[C@@H]3O)C(=O)O)C=C2C(=O)C=5C1=C(O)C=C(O)C5 is Bequinostatin A. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule OC12NC([O-])=NC1=NC(=O)NC2=O OC12NC([O-])=NC1=NC(=O)NC2=O is the conjugate base of 5-hydroxyisouric acid. It is also related to or classified as oxopurine , urate(1-) .
The molecule CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12 CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12 is carteolol. It has the role of beta-adrenergic antagonist . It has the role of antihypertensive agent . It has the role of anti-arrhythmia drug . It has the role of antiglaucoma drug . It has the role of sympatholytic agent .  It is also related to or classified as secondary alcohol  . It is also related to or classified as quinolone .
The molecule C1=CC=C(C=C1)[C@]([H])([C@@]2([C@]([H])([C@]([H])([C@]([H])(N3C=CC4=C(N)N=CN=C43)O2)O)O)[H])O C1=CC=C(C=C1)[C@]([H])([C@@]2([C@]([H])([C@]([H])([C@]([H])(N3C=CC4=C(N)N=CN=C43)O2)O)O)[H])O is lLY-283 is a novel and selective inhibitor of protein arginine methyltransferase 5 (PRMT5). LLY-283 inhibits PRMT5 enzymatic activity in vitro and in cells with IC50 of 22 nM and 25 nM, respectively. LLY-283 shows antitumor activity. It is also related to or classified as organic molecular entity .
The molecule CCCCCC(=O)/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O is a prostaglandins E. It derives from a prostaglandin E1. It is a conjugate acid of a 15-dehydro-prostaglandin E1(1-).
The molecule C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)[H])[H])=CC(=C1)O C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)[H])[H])=CC(=C1)O is A steroid glucuronide anion that is the conjugate base of 17-epiestriol 16-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as beta-D-glucosiduronate  . It is also related to or classified as steroid glucosiduronic acid anion .
The molecule O=C1C=2C(=C(OC3OC(C(OC)C(C3O)O)CO)C4=C(OC)C=C(C=C4C2)OC)CO[C@H]1C O=C1C=2C(=C(OC3OC(C(OC)C(C3O)O)CO)C4=C(OC)C=C(C=C4C2)OC)CO[C@H]1C is (3S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule O([C@@H]1OC=C([C@@]2([C@]1([C@@](O)(CC2)C)[H])[H])C(O)=O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO O([C@@H]1OC=C([C@@]2([C@]1([C@@](O)(CC2)C)[H])[H])C(O)=O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO is Mussaenosidic acid. It is also related to or classified as glycoside  . It is also related to or classified as iridoid monoterpenoid .
The molecule CC(C)C(=C)C\C=C(/C)C(O)=O CC(C)C(=C)C\C=C(/C)C(O)=O is A 2,6-dimethyl-5-methylenehept-2-enoic acid having E-configuration. It is also related to or classified as 2,6-dimethyl-5-methylenehept-2-enoic acid  .
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O2)c(=O)[nH]c1=O is A 2'-deoxyribonucleoside triphosphate oxoanion obtained from thymidine 5'-triphosphate by deprotonation of three of the four triphosphate OH groups. It has the role of Saccharomyces cerevisiae metabolite . It is a conjugate acid of dTTP(4-) . It is also related to or classified as 2'-deoxyribonucleoside triphosphate oxoanion .
The molecule CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCOCCOCCOCCCNC(=O)COCCOCCOCC(=O)NCCCOCCOCCOCCCNC(=O)CCSSCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)NC(=O)[C@H](CC4=CC=CC=C4)C[C@H]([C@H](CC5=CC=CC=C5)NC(=O)OC(C)(C)C)O is an organic disulfide that is L-685,458 in which the C-terminal amide group is coupled to a biotin moiety via a long linker containing the disulfide group. It has a role as an EC 3.4.23.46 (memapsin 2) inhibitor. It is an organic disulfide, a polyether, a secondary alcohol, a carbamate ester and a monocarboxylic acid amide. It derives from a biotin and a L-685,458.
The molecule CCC/C(=N/[C@](CC1=CC=C(C=C1)O)([H])/C(=N/CCCCNCCCNCCCN)/O)/O CCC/C(=N/[C@](CC1=CC=C(C=C1)O)([H])/C(=N/CCCCNCCCNCCCN)/O)/O is philanthotoxin 433. It has the role of nicotinic antagonist . It is also related to or classified as organic molecular entity .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O is a 3-acyl-sn-glycerol in which the acyl group is specified as palmitoyl (hexadecanoyl). It has a role as a metabolite. It is a 3-acyl-sn-glycerol and a 1-monopalmitoylglycerol. It is an enantiomer of a 1-hexadecanoyl-sn-glycerol.
The molecule C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)O)[H])[H])=CC(=C1)O C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)O)[H])[H])=CC(=C1)O is A steroid glucuronide anion that is the conjugate base of 17-epiestriol 17-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as beta-D-glucosiduronate  . It is also related to or classified as steroid glucosiduronic acid anion .
The molecule O=C1C=C2C=CC=3[C@]45O[C@@]6(OC(C)(C)[C@H]([C@H]6O)C)[C@@H](C)[C@H]([C@@]4(C)C=CC3[C@@]2(C)CC1)CC5 O=C1C=C2C=CC=3[C@]45O[C@@]6(OC(C)(C)[C@H]([C@H]6O)C)[C@@H](C)[C@H]([C@@]4(C)C=CC3[C@@]2(C)CC1)CC5 is Blazeispirol U. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3 is 3-cyclohexyl-1-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(C3=CC(=CC=C3)F)C(=O)CCC(=O)NC4=CN=CC=C4 C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(C3=CC(=CC=C3)F)C(=O)CCC(=O)NC4=CN=CC=C4 is N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-fluorophenyl)-N-(3-pyridinyl)butanediamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule Clc1ccc(cc1)-c1ccc(Cl)cc1 Clc1ccc(cc1)-c1ccc(Cl)cc1 is A dichlorobiphenyl carrying chloro groups at positions 4 and 4' respectively. It is also related to or classified as dichlorobiphenyl , monochlorobenzenes .
The molecule C1=CC=C2C(=C1)C(=CN2)CCCOP(=O)(O)O is an monoalkyl phosphate compound having an O-3-(indol-3-yl)propyl substituent. It is a monoalkyl phosphate and a member of indoles.
The molecule C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O)O)[H])[H])=CC(=C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O)O)[H])[H])=CC(=C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O is A steroid glucuronide anion that is the conjugate base of 17-epiestriol 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as beta-D-glucosiduronate  . It is also related to or classified as steroid glucosiduronic acid anion .
The molecule O=C1NC(C(=O)NC1C(CC)C)CC(C)C O=C1NC(C(=O)NC1C(CC)C)CC(C)C is Cyclo-(Leu-Ile). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule Oc1c(\C=C\C(=O)C([O-])=O)sc2ccccc12 Oc1c(\C=C\C(=O)C([O-])=O)sc2ccccc12 is A 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate in which the acyclic double bond has E-geometry. It is also related to or classified as 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate  .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C is N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-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]-4,4,4-trifluorobutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3 is a pyrazole substituted at position 1 by a 2-cyano-1-cyclopentylethyl group and at position 3 by a pyrrolo[2,3-d]pyrimidin-4-yl group. Used as the phosphate salt for the treatment of patients with intermediate or high-risk myelofibrosis, including primary myelofibrosis, post-polycythemia vera myelofibrosis and post-essential thrombocythemia myelofibrosis. It has a role as an antineoplastic agent and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is a nitrile, a pyrrolopyrimidine and a member of pyrazoles.
The molecule O([C@H]1[C@@H](OS(O)(=O)=O)[C@H](OC(O)[C@@H]1NC(=O)C)CO)[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O O([C@H]1[C@@H](OS(O)(=O)=O)[C@H](OC(O)[C@@H]1NC(=O)C)CO)[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O is an oligosaccharide sulfate consisting of alpha-L-pyranuronosyl and 2-acetamido-2-deoxy-4-O-sulfo-D-galactopyranose residues joined in sequence by a (1->3) glycosidic bond. It is also related to or classified as acetamides , amino disaccharide , oligosaccharide sulfate .
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(CC(C(=O)[O-])O)=O)=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(CC(C(=O)[O-])O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is an omega-carboxyacyl-CoA(5-) obtained by deprotonation of the phosphate, diphosphate and carboxy groups of any 3-carboxy-3-hydroxypropanoyl-CoA; major species at pH 7.3. It is also related to or classified as omega-carboxy-(fatty acyl)-CoA(5-)  . It is also related to or classified as monocarboxylic acid anion  .
The molecule ClC=C ClC=C is A monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group. It has the role of carcinogenic agent . It is also related to or classified as gas molecular entity , chloroethenes , monohaloethene .
The molecule Cc1c(NO)cc(N)cc1[N+]([O-])=O Cc1c(NO)cc(N)cc1[N+]([O-])=O is A member of the class of amino-nitrotoluenes that is 4-amino-6-nitrotoluene bearing an additional hydroxylamino group at position 2. It has the role of xenobiotic metabolite . It is also related to or classified as amino-nitrotoluene , hydroxylamines .
The molecule C[C@H](O)[C@H](O)CC(=O)C([O-])=O C[C@H](O)[C@H](O)CC(=O)C([O-])=O is A carbohydrate acid anion arising from deprotonation of the carboxy group of 2-dehydro-3-deoxy-L-rhamnonic acid; major species at pH 7.3. It is also related to or classified as carbohydrate acid anion .
The molecule c1ccc(cc1)[Sn+](c1ccccc1)c1ccccc1 c1ccc(cc1)[Sn+](c1ccccc1)c1ccccc1 is triphenyltin(1+). It has the role of antifeedant . It is also related to or classified as organotin compound .
The molecule [C@@H]1([C@@H]([C@H](OC([C@@H]1O)OP(=O)(O)O)C(=O)O)O)O is a uronic acid phosphate consisting of D-glucuronic acid having a phosphate group attached at the 1-position. It derives from a D-glucuronic acid. It is a conjugate acid of a D-glucuronate 1-phosphate.
The molecule CCC(C)C1OC(=O)\C=C\C=C/C=C/C=C\C=C\CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)\C=C\C1C CCC(C)C1OC(=O)\C=C\C=C/C=C/C=C\C=C\CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)\C=C\C1C is A macrolide isolated from the reed rhizosphere soil-derived Streptomyces sp. CHQ-64. It has the role of antifungal agent . It has the role of bacterial metabolite . It is also related to or classified as secondary allylic alcohol  .    It is also related to or classified as enoate ester  . It is also related to or classified as macrolide antibiotic , polyol , polyene .
The molecule C=1C(=CN=CC1)C=2SC(=NC2)N(C)C(/C=C/C3=NCCCO3)=O C=1C(=CN=CC1)C=2SC(=NC2)N(C)C(/C=C/C3=NCCCO3)=O is hSF1 inhibitors(heat shock transcription factor 1 inhibitors). It is also related to or classified as organic molecular entity .
The molecule S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H](O)CC([C@@H]6C[C@]5(C4=O)SC)=O)C[C@H]3C(C2)=O S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H](O)CC([C@@H]6C[C@]5(C4=O)SC)=O)C[C@H]3C(C2)=O is Epicoccin N. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 is 1-cyclohexyl-3-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H]O[2H] [H]O[2H] is deuterium hydrogen oxide. It is also related to or classified as water  . It is also related to or classified as deuterated compound .
The molecule O[Si](O)(O)[O-] O[Si](O)(O)[O-] is A monovalent inorganic anion that consists of silicic acid in which one of the four OH groups has been deprotonated. It is a conjugate acid of dihydrogensilicate(2-) . It is also related to or classified as silicate ion , monovalent inorganic anion .
The molecule C[NH2+]C1(CCCCC1=O)C2=CC=CC=C2Cl.[Cl-] is the hydrochloride salt of ketamine. It has a role as an analgesic, a NMDA receptor antagonist and an intravenous anaesthetic. It contains a ketamine.
The molecule O=C1OC(C2=CN=CC=C2)=CC3=C1[C@H](O)[C@@H]4[C@@]5([C@H](C([C@@H](OC(=O)CC)CC5)(C)C)CC[C@]4(O3)C)C O=C1OC(C2=CN=CC=C2)=CC3=C1[C@H](O)[C@@H]4[C@@]5([C@H](C([C@@H](OC(=O)CC)CC5)(C)C)CC[C@]4(O3)C)C is Pyripyropene H. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule Oc1ccc(cc1)C1CC(CC(C1)c1ccccc1)c1ccccc1 Oc1ccc(cc1)C1CC(CC(C1)c1ccccc1)c1ccccc1 is 4-(3,5-Diphenylcyclohexyl)phenol.  It is also related to or classified as alkylbenzene  . It is also related to or classified as ring assembly .
The molecule C[As](C)C C[As](C)C is an arsine that is arsane in which each of the hydrogens is substituted by a methyl group. It is also related to or classified as arsine  .
The molecule O=C(OC)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC O=C(OC)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC is Docosahexaenoic acid methyl ester. It is also related to or classified as fatty acid methyl ester  .
The molecule C[C@@]12CC[C@@]34CCC(C([C@@H]3[C@H]1CC[C@H]5[C@]2(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O)C)C)OC4)(C)C is a triterpenoid that is (18alpha)-19,28-epoxyoleanane substituted by a hydroxy group at position 3. It is a triterpenoid, a cyclic ether and a secondary alcohol. It derives from a hydride of an oleanane.
The molecule O=C(OC1=C(OC(=O)C)C(=C2[C@@H](OC)O[C@@H](C2=C1OC(=O)C)[C@@H]3OCC=4C3=C(OC(=O)C)C(OC(=O)C)=C(OC(=O)C)C4C)C)C O=C(OC1=C(OC(=O)C)C(=C2[C@@H](OC)O[C@@H](C2=C1OC(=O)C)[C@@H]3OCC=4C3=C(OC(=O)C)C(OC(=O)C)=C(OC(=O)C)C4C)C)C is Spicarin C. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule S(C12C(=O)C3=C(C(O)=CC=C3)C([C@]1(O)[C@@H](O[C@H](C2)CC(=O)OC)C)=O)C45C(=O)C6=C(C(O)=CC=C6)C([C@]4(O)[C@@H](O[C@H](C5)CCO)C)=O S(C12C(=O)C3=C(C(O)=CC=C3)C([C@]1(O)[C@@H](O[C@H](C2)CC(=O)OC)C)=O)C45C(=O)C6=C(C(O)=CC=C6)C([C@]4(O)[C@@H](O[C@H](C5)CCO)C)=O is BE-52440B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O is A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor . It has the role of antihypertensive agent .   It is also related to or classified as alkanethiol  . It is also related to or classified as pyrrolidinemonocarboxylic acid , N-acylpyrrolidine , L-proline derivative .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C is N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Oc1c(Cl)c(Cl)c(c(Cl)c1Cl)-c1cc(Cl)c(Cl)cc1Cl Oc1c(Cl)c(Cl)c(c(Cl)c1Cl)-c1cc(Cl)c(Cl)cc1Cl is 4-Hydroxy-2,2',3,4',5,5',6-heptachlorobiphenyl.  It is also related to or classified as tetrachlorobenzene  . It is also related to or classified as trichlorobenzene  . It is also related to or classified as biphenyls .
The molecule COC1=CC(=CC(=C1OC)OC)CC2=C(N=C(N=C2Cl)N)N is an aminopyrimidine, the structure of which is that of trimethoprim (pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge) carrying a 6-chloro substituent. It is an aminopyrimidine and an organochlorine compound. It derives from a trimethoprim.
The molecule CCC(C)C1OC(=O)\C=C\C=C\C=C/C=C/C=C/CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)\C=C\C1C CCC(C)C1OC(=O)\C=C\C=C\C=C/C=C/C=C/CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)\C=C\C1C is A macrolide isolated from the reed rhizosphere soil-derived Streptomyces sp. CHQ-64. It has the role of antifungal agent . It has the role of bacterial metabolite . It is also related to or classified as secondary allylic alcohol  .    It is also related to or classified as enoate ester  . It is also related to or classified as macrolide antibiotic , polyol , polyene .
The molecule O=C(NCCC(=O)OC)/C=C(/CCOC(=O)C)\C O=C(NCCC(=O)OC)/C=C(/CCOC(=O)C)\C is Pestalotiopamide D. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC(=O)COc1ccc(Cl)cc1 OC(=O)COc1ccc(Cl)cc1 is A chlorophenoxyacetic acid that is phenoxyacetic acid carrying a chloro substituent at position 4. It has the role of phenoxy herbicide . It is a conjugate acid of (4-chlorophenoxy)acetate . It is also related to or classified as chlorophenoxyacetic acid , monochlorobenzenes .
The molecule O1C(C(O)C(O)C(O)C1C(O)=O)C(C(OCC2OC(OC=3C=C4OC=C(C(=O)C4=C(O)C3)C5=CC=C(OC)C=C5)C(O)C(O)C2O)=O)C(OC)=O O1C(C(O)C(O)C(O)C1C(O)=O)C(C(OCC2OC(OC=3C=C4OC=C(C(=O)C4=C(O)C3)C5=CC=C(OC)C=C5)C(O)C(O)C2O)=O)C(OC)=O is 3,4,5-trihydroxy-6-{1-methoxy-1,3-dioxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propan-2-yl}oxane-2-carboxylic acid. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule Oc1ccc(c(Cl)c1)-c1c(Cl)cc(Cl)c(Cl)c1Cl Oc1ccc(c(Cl)c1)-c1c(Cl)cc(Cl)c(Cl)c1Cl is A member of the class of hydroxybiphenyls that is phenol substituted in the 3-position by chlorine and in the 4-position by a 2,3,4,6-tetrachlorophenyl group. It is also related to or classified as hydroxybiphenyls  . It is also related to or classified as tetrachlorobenzene  . It is also related to or classified as monochlorobenzenes .
The molecule CO/N=C(/CC1=CN=CC=C1)\\C2=C(C=C(C=C2)Cl)Cl is an oxime O-ether that is the O-methyloxime of 2',4'-dichloro-2-(3-pyridyl)acetophenone. A fungicide used for control of powdery mildew, scab and other fungal pathogens on a range of crops. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a dichlorobenzene, an oxime O-ether and a member of pyridines.
The molecule CCC(C)C1OC(=O)\C=C/C=C/C=C/C=C/C=C/CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)\C=C\C1C CCC(C)C1OC(=O)\C=C/C=C/C=C/C=C/C=C/CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)\C=C\C1C is A macrolide isolated from the reed rhizosphere soil-derived Streptomyces sp. CHQ-64. It has the role of antifungal agent . It has the role of bacterial metabolite . It is also related to or classified as secondary allylic alcohol  .    It is also related to or classified as enoate ester  . It is also related to or classified as macrolide antibiotic , polyol , polyene .
The molecule O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC(=O)C2=CC=C(C(=C2)O)O)O)O)O)CO O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC(=O)C2=CC=C(C(=C2)O)O)O)O)O)CO is an O-acyl carbohydrate that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 3,4-dihydroxybenzoyl group. Its functional parent is 3,4-dihydroxybenzoic acid . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as benzoate ester , O-acyl carbohydrate , monosaccharide derivative .
The molecule CC(=O)Nc1cc(N)c(C)c(c1)[N+]([O-])=O CC(=O)Nc1cc(N)c(C)c(c1)[N+]([O-])=O is A member of the class of amino-nitrotoluenes that is 2-amino-6-nitrotoluene bearing an additional acetamido group at position 4. It has the role of xenobiotic metabolite . It is also related to or classified as acetamides , amino-nitrotoluene , aromatic amide .