anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=C1N2[C@H](C(=O)O[C@@H](C(CC3C[C@@H](OC)[C@H](O)CC3)C)CC(=O)[C@@H](C=C([C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@@H](C=CC=CC=C([C@H](C[C@@H]4O[C@](C1=O)(O)[C@@H](CC4)C)OC)C)C)C)CC)CCCC2 O=C1N2[C@H](C(=O)O[C@@H](C(CC3C[C@@H](OC)[C@H](O)CC3)C)CC(=O)[C@@H](C=C([C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@@H](C=CC=CC=C([C@H](C[C@@H]4O[C@](C1=O)(O)[C@@H](CC4)C)OC)C)C)C)CC)CCCC2 is Homorapamycin C. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule O=C1C=2C(OC(C1)(O)C)=C(C3=CC(OC)=CC(=C3C2O)OC)C4=C(O)C=CC(=C4)C=5C(=O)NCC5CC6=CC(OC)=C(O)C=C6 O=C1C=2C(OC(C1)(O)C)=C(C3=CC(OC)=CC(=C3C2O)OC)C4=C(O)C=CC(=C4)C=5C(=O)NCC5CC6=CC(OC)=C(O)C=C6 is Carbonarin I. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule Oc1cccnc1 Oc1cccnc1 is A monohydroxypyridine that is pyridine in which the hydrogen at position 3 has been replaced by a hydroxy group. It has been detected as a thermal degradation product from the smoke of the burning leaves of Salvia divinorum, a Mexican psychoactive plant. It is also related to or classified as monohydroxypyridine .
The molecule C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O is an aryl beta-D-glucoside that is salicyl alcohol in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue. It has a role as a prodrug, an antipyretic, a non-narcotic analgesic, a non-steroidal anti-inflammatory drug, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and a metabolite. It is an aryl beta-D-glucoside, an aromatic primary alcohol and a member of benzyl alcohols. It derives from a salicyl alcohol.
The molecule [H][C@]12[C@H](O)CC=C3CCN(Cc4cc5OCOc5cc14)[C@@]23[H] [H][C@]12[C@H](O)CC=C3CCN(Cc4cc5OCOc5cc14)[C@@]23[H] is an indolizidine alkaloid that is  galanthan substituted by analpha-hydroxy group at position 1 and a methylenedioxy group across position 9 and 10. An alkaloid commonly found in the members of the family amaryllidaceae. It has the role of plant metabolite . It is also related to or classified as secondary alcohol  . It is also related to or classified as organic heteropentacyclic compound , indolizidine alkaloid .
The molecule O1[C@@H]([C@@H](O[C@@H]2OC(=C(O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@@H](NC(=O)C)[C@H]1O)CO O1[C@@H]([C@@H](O[C@@H]2OC(=C(O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@@H](NC(=O)C)[C@H]1O)CO is an amino disaccharide consisting of alpha-L-threo-hex-4-enopyranuronic acid and 2-acetamido-2-deoxy-alpha-D-glucopyranose residues joined in sequence by a (1->4) glycosidic bond. Its functional parent is 4,5-dehydro-D-glucuronic acid . Its functional parent is N-acetyl-alpha-D-glucosamine .    It is also related to or classified as enol  . It is also related to or classified as acetamides , amino disaccharide , glucosamine oligosaccharide , glycosylglucose derivative , alpha,beta-unsaturated monocarboxylic acid .
The molecule Cc1c(F)c(F)c(COC(=O)C2C(\C=C(/Cl)C(F)(F)F)C2(C)C)c(F)c1F Cc1c(F)c(F)c(COC(=O)C2C(\C=C(/Cl)C(F)(F)F)C2(C)C)c(F)c1F is A cyclopropanecarboxylate ester resulting from the formal condensation of the carboxy group of 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid with the hydroxy group of 2,3,5,6-tetrafluoro-4-methylbenzyl alcohol. It is also related to or classified as organochlorine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as cyclopropanecarboxylate ester .
The molecule C1C2=CC(C[C@H]([C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C1)[H])(CC[C@@H]4O)[H])C)[H])C)O)=O C1C2=CC(C[C@H]([C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C1)[H])(CC[C@@H]4O)[H])C)[H])C)O)=O is an androstanoid that is testosterone carrying an additional hydroxy substituent at the 1beta-position. A metabolite of testosterone. Its functional parent is testosterone . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as androstanoid , 1-hydroxy steroid .
The molecule COC1=C(OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O is a glycosyloxyflavone that is 3-O-methylquercetin attached to beta-D-glucopyranosyl residues at positions 7 and 4' respectively via glycosidic linkages. It has been isolated from Ophioglossum pedunculosum. It has a role as a plant metabolite. It is a monomethoxyflavone, a dihydroxyflavone, a glycosyloxyflavone and a beta-D-glucoside. It derives from a 3',4',5,7-tetrahydroxy-3-methoxyflavone.
The molecule O=C(O)C1=C(O)C=CC=C1C(=O)O O=C(O)C1=C(O)C=CC=C1C(=O)O is 3-Hydroxyphthalic acid. Its functional parent is salicylic acid . It is also related to or classified as hydroxybenzoic acid .
The molecule C=1C=NC=C(C1)OS(O)(=O)=O C=1C=NC=C(C1)OS(O)(=O)=O is A member of the class of pyridines that is 3-hydroxypyridine in which the hydroxy hydrogen has been replaced by a sulfo group. Its functional parent is 3-pyridinol . It is a conjugate acid of 3-hydroxypyridine sulfate(1-) . It is also related to or classified as pyridines , aryl sulfate .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH2+]C)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a 1,2-diacyl-sn-glycero-3-phospho-N-methylethanolamine zwitterion in which the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3. It has a role as a human metabolite. It is a tautomer of a 1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine.
The molecule COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O is A natural product found in Actinomadura roseola. It has the role of antineoplastic agent . It has the role of bacterial metabolite .   It is also related to or classified as anthracycline  . It is also related to or classified as aminoglycoside antibiotic , p-quinones , tetracenequinones .
The molecule OC1C(C2(C(C3C(C(=O)C2)(C4C(=CC3)C(C(=O)C(OC5OC(C(O)C(O)C5O)CO)=C4)(C)C)C)(C1)C)C)C(O)(C)C(=O)/C=C/C(OC(=O)C)(C)C OC1C(C2(C(C3C(C(=O)C2)(C4C(=CC3)C(C(=O)C(OC5OC(C(O)C(O)C5O)CO)=C4)(C)C)C)(C1)C)C)C(O)(C)C(=O)/C=C/C(OC(=O)C)(C)C is Elaterinide.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule 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)C([O-])=O)O)OS(=O)(=O)[O-])O)O)C=3C=CC(=CC3)CCNC(CCCS)=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)C([O-])=O)O)OS(=O)(=O)[O-])O)O)C=3C=CC(=CC3)CCNC(CCCS)=O is the carbohydrate acid derivative anion formed from beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH by loss of two protons, one from each of its sulfo and carboxy groups. It is also related to or classified as carbohydrate acid derivative anion .
The molecule O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C([O-])=O O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C([O-])=O is A hydroxy monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of 3-dehydroquinic acid. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is (-)-quinate . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule O=C1C=C(OC)[C@@](O)(C)C([C@@]1(OC(=O)C(CC)C)C)=O O=C1C=C(OC)[C@@](O)(C)C([C@@]1(OC(=O)C(CC)C)C)=O is Phomaligol A1.  It is also related to or classified as quinone  . It is also related to or classified as benzoquinones .
The molecule C/C=C/C=C(/[C@@H](C(C([O-])=O)(C)C)O)\C C/C=C/C=C(/[C@@H](C(C([O-])=O)(C)C)O)\C is major microspecies at pH 7.3. It is also related to or classified as terpenoid  . It is also related to or classified as carboxylic acid anion  .
The molecule C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O is a member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens is replaced by a [(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(isopropyloxycarbonyloxymethyl) ester (disoproxil ester) prodrug is used as the fumaric acid salt in combination therapy for the treatment of HIV infection. It has a role as a HIV-1 reverse transcriptase inhibitor, an antiviral drug and a drug metabolite. It is a member of phosphonic acids and a nucleoside analogue. It is a conjugate acid of a tenofovir(1-).
The molecule O[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(O)cc1 O[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(O)cc1 is A member of the class of dihydroflavonols that is (2S)-flavanone substituted by hydroxy groups at positions 3, 7 and 4'. It has the role of metabolite . It has the role of antimutagen . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as secondary alpha-hydroxy ketone  .  It is also related to or classified as dihydroflavonols  . It is also related to or classified as trihydroxyflavanone .
The molecule O1C(C(O)C(O)C(O)C1OC2=CC=3OC=C(C4=C(OC)C=5CCC(OC5C=C4O)(C)C)C(=O)C3C=C2)C(O)=O O1C(C(O)C(O)C(O)C1OC2=CC=3OC=C(C4=C(OC)C=5CCC(OC5C=C4O)(C)C)C(=O)C3C=C2)C(O)=O is 3,4,5-trihydroxy-6-{[3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule [H][C@@]12C[C@H](C)[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C [H][C@@]12C[C@H](C)[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C is A steroid ester that is betamethasone in which the hydroxy group at the 17alpha position has been converted to the corresponding pentanoate ester. It has the role of anti-inflammatory drug . Its functional parent is betamethasone . It is also related to or classified as primary alpha-hydroxy ketone  .  It is also related to or classified as 11beta-hydroxy steroid  .    It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as 21-hydroxy steroid , 20-oxo steroid , steroid ester , fluorinated steroid .
The molecule O1[C@@H](OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)[C@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)C(O)[C@@H](O)C1 O1[C@@H](OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)[C@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)C(O)[C@@H](O)C1 is Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule 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)C(O)=O)O)OS(=O)(=O)O)O)O)C=3C=CC(=CC3)CCNC(CCCS)=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)C(O)=O)O)OS(=O)(=O)O)O)O)C=3C=CC(=CC3)CCNC(CCCS)=O is A beta-D-galactoside that is the 4-[2-(4-sulfanylbutanamido)ethyl]phenyl glycoside of a disaccharide consisting of a 3-O-sulfo-beta-D-glucuronic acid residue linked (1->3) to beta-D-galactose. It is a conjugate acid of beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH(2-) . It is also related to or classified as beta-D-galactoside  . It is also related to or classified as disaccharide derivative .
The molecule O=C1N2C(O[C@H](C=CC)[C@@H]3[C@H]2[C@H](CCC3)C)(O)C(=O)NC1=CC4=CC=CC=C4 O=C1N2C(O[C@H](C=CC)[C@@H]3[C@H]2[C@H](CCC3)C)(O)C(=O)NC1=CC4=CC=CC=C4 is Penicillivinacine. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H]C(=O)c1cc(O)ccc1O [H]C(=O)c1cc(O)ccc1O is A dihydroxybenzaldehyde carrying hydroxy groups at positions 2 and 5. It has the role of mouse metabolite . It has the role of Penicillium metabolite . It has the role of human metabolite . It is also related to or classified as dihydroxybenzaldehyde  .
The molecule [H][C@@]1(CC)CN2CC[C@@]34c5ccccc5N5[C@@]([H])(OC[C@@]([H])([C@@]1([H])C[C@]23[H])[C@@]45[H])[C@]([H])(C(=O)OC)[C@@]1([H])C[C@]2([H])N(CCc3c2[nH]c2ccccc32)C\C1=C\C [H][C@@]1(CC)CN2CC[C@@]34c5ccccc5N5[C@@]([H])(OC[C@@]([H])([C@@]1([H])C[C@]23[H])[C@@]45[H])[C@]([H])(C(=O)OC)[C@@]1([H])C[C@]2([H])N(CCc3c2[nH]c2ccccc32)C\C1=C\C is A indole alkaloid comprising two indole-derived polycyclic moieties joined by a cyclic ether linkage. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It is also related to or classified as methyl ester  . It is also related to or classified as organic heterotetracyclic compound , organic heteropentacyclic compound , indole alkaloid .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCCCCCCCCCC(=O)O)O)O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 20-hydroxyicosanoic acid (20-hydroxyarachidic acid) with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a monocarboxylic acid and an omega-hydroxy fatty acid ascaroside. It derives from a 20-hydroxyicosanoic acid. It is a conjugate acid of an oscr#36(1-).
The molecule O1OC(CC1C(OO)C/C=C\CC)/C=C/CCCCCCC(OC)=O O1OC(CC1C(OO)C/C=C\CC)/C=C/CCCCCCC(OC)=O is methyl 10,12-epidioxy-13-hydroperoxy-8E,15Z-octadecadienoate. It is also related to or classified as fatty acid methyl ester  .
The molecule O1C(COC=2C=3N(C4=C(C(=O)C3C=CC12)C(O)=CC(OC)=C4)C)(C)/C=C/C=5C=6OC(=O)C=CC6C=CC5O O1C(COC=2C=3N(C4=C(C(=O)C3C=CC12)C(O)=CC(OC)=C4)C)(C)/C=C/C=5C=6OC(=O)C=CC6C=CC5O is Dioxinoacrimarine A. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule O1[C@@H](OC[C@H]2OC(O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@H](O)[C@H]1CO O1[C@@H](OC[C@H]2OC(O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@H](O)[C@H]1CO is an amino disaccharide consisting of 2-acetamido-beta-D-glucopyranose and D-mannopyranose residues joined in sequence by a (1->6) glycosidic bond. It is also related to or classified as acetamides , amino disaccharide , glucosamine oligosaccharide , glycosylmannose derivative .
The molecule OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O is the monocarboxylic acid anion obtained by removal of a proton from the carboxy groups of (2xi)-D-gluco-heptonic acid.  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as carbohydrate acid anion .
The molecule CC(C)C([NH3+])C(O)=O CC(C)C([NH3+])C(O)=O is valinium. It is a conjugate acid of valine . It is also related to or classified as alpha-amino-acid cation .
The molecule [Na+].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)C([O-])=O)O)O)O)O)C=3C=CC(=CC3)OC [Na+].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)C([O-])=O)O)O)O)O)C=3C=CC(=CC3)OC is an organic sodium salt that is the monosodium salt of beta-D-GlcA-(1->3)-beta-D-Gal-OC6H4-4-OMe. It is also related to or classified as organic sodium salt .
The molecule O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](COC(CCCCCCC)=O)O)O)O)O)CO O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](COC(CCCCCCC)=O)O)O)O)O)CO is A 3-(beta-D-galactosyl)monooctanoyl-sn-glycerol in which the octanoyl group is located at position 1. It is also related to or classified as 3-(beta-D-galactosyl)monooctanoyl-sn-glycerol  .
The molecule O=C1N[C@@H](C(=O)N[C@@H]1CC2=CC(O)=C(OC)C=C2)CC(C)C O=C1N[C@@H](C(=O)N[C@@H]1CC2=CC(O)=C(OC)C=C2)CC(C)C is 3-(3-hydroxy-4-methoxybenzyl)-6-isobutyl-2,5-diketopiperazine. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule S(CCNC(=O)CCNC(=O)[C@H](O)C(COP(OP(OC[C@H]1O[C@@H](N2C3=NC=NC(N)=C3N=C2)C(O)[C@H]1OP(O)(O)=O)(O)=O)(O)=O)(C)C)C(=O)\C=C\CCCCCCCCCCCCC S(CCNC(=O)CCNC(=O)[C@H](O)C(COP(OP(OC[C@H]1O[C@@H](N2C3=NC=NC(N)=C3N=C2)C(O)[C@H]1OP(O)(O)=O)(O)=O)(O)=O)(C)C)C(=O)\C=C\CCCCCCCCCCCCC is 2E-Hexadecenoyl-CoA.  It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as 2-enoyl-CoA .
The molecule OC=1C(=O)C=2C3=C(C=CC2C4=CC=C(O)C=C4)C=CC=C3C1 OC=1C(=O)C=2C3=C(C=CC2C4=CC=C(O)C=C4)C=CC=C3C1 is Hydroxyanigorufone. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule C(CCN)CCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCC/C=N/O)O)O is an aldoxime isolated from Streptoalloteichus sp.1454-19. It is a siderophore which exhibits immunosuppressive activity on a mixed lymphocyte culture reaction (MLCR). It has a role as a metabolite, an antimicrobial agent, an immunosuppressive agent and a siderophore. It is a hydroxamic acid, a primary amino compound and an aliphatic aldoxime.
The molecule O1C(OCC2OC(OC(=O)/C=C/C3=CC(OC)=C(O)C(OC)=C3)C(OC(=O)/C=C/C4=CC(OC)=C(O)C=C4)C(O)C2O)C(OC(=O)/C=C/C5=CC(OC)=C(O)C(OC)=C5)C(O)C(O)C1CO O1C(OCC2OC(OC(=O)/C=C/C3=CC(OC)=C(O)C(OC)=C3)C(OC(=O)/C=C/C4=CC(OC)=C(O)C=C4)C(O)C2O)C(OC(=O)/C=C/C5=CC(OC)=C(O)C(OC)=C5)C(O)C(O)C1CO is 2-Feruloyl-1,2'-disinapoylgentiobiose. Its functional parent is hydroxycinnamic acid . It is also related to or classified as glycoside  .
The molecule [H]B1B([H])B([H])B1[H] [H]B1B([H])B([H])B1[H] is cyclotetraborane. It is also related to or classified as boranes , polyboron hydride , homomonocyclic 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)CC3CCCCC3 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)CC3CCCCC3 is N-[(3R,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]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]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCC[C@@H](N)C(O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@@H](OP(O)(=O)OP(O)(=O)OC\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)CC\C=C(/C)CCC=C(C)C)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(O)=O)C(O)=O C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCC[C@@H](N)C(O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@@H](OP(O)(=O)OP(O)(=O)OC\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)CC\C=C(/C)CCC=C(C)C)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(O)=O)C(O)=O is an undecaprenyldiphospho-N-acetylmuramoyl peptide in which the peptide element is L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine and in which the muramoyl residue is glucosaminyl-substituted at O-4. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine(4-) . It is also related to or classified as undecaprenyldiphospho-N-acetylmuramoyl peptide .
The molecule 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)C([O-])=O)O)O)O)O)C=3C=CC(=CC3)OC 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)C([O-])=O)O)O)O)O)C=3C=CC(=CC3)OC is the carbohydrate acid derivative anion formed from beta-D-GlcA-(1->3)-beta-D-Gal-OC6H4-4-OMe by loss of a proton from its carboxy group. It is also related to or classified as carbohydrate acid derivative anion .
The molecule S1SSCC(C1)N(C)C.Cl S1SSCC(C1)N(C)C.Cl is A hydrochloride salt resulting from the formal reaction of equimolar amounts of thiocyclam and hydrogen chloride. A nicotinic acetylcholine receptor agonist used as a broad-spectrum insecticide. Not approved for use within the European Union. It has the role of insecticide . It has the role of agrochemical . It has the role of nicotinic acetylcholine receptor agonist . It is also related to or classified as hydrochloride .
The molecule O=C1C=2O[C@]3(OC[C@@H]([C@H]3CC2C(=O)C4=C1C=C(O)C=C4O)/C=C/C)C O=C1C=2O[C@]3(OC[C@@H]([C@H]3CC2C(=O)C4=C1C=C(O)C=C4O)/C=C/C)C is Astronyquinone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)[O-])O is the conjugate base of (R)-indole-3-lactic acid. It derives from a propionate. It is a conjugate base of a (R)-indole-3-lactic acid.
The molecule [H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C [H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C is A steroid ester that is betamethasone in which the hydroxy hydrogens at positions 17 and 21 are replaced by propanoyl groups. It is used in combination with calcipotriene hydrate, a synthetic vitamin D analogue, for the topical treatment of plaque psoriasis in adult patients. It has the role of antipsoriatic . Its functional parent is betamethasone . It is also related to or classified as 11beta-hydroxy steroid  . It is also related to or classified as propanoate ester  .    It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as 20-oxo steroid , steroid ester , fluorinated steroid .
The molecule CNC(=O)c1c(I)c(N(C)C(C)=O)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(O)=O)c(I)c(C(=O)NCCO)c2I)c1I CNC(=O)c1c(I)c(N(C)C(C)=O)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(O)=O)c(I)c(C(=O)NCCO)c2I)c1I is A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an acetyl(methyl)amino group at the 5-position. It has the role of radioopaque medium .  It is also related to or classified as organoiodine compound  . It is also related to or classified as benzenedicarboxamide  . It is also related to or classified as benzoic acids .
The molecule 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)C(O)=O)O)O)O)O)C=3C=CC(=CC3)OC 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)C(O)=O)O)O)O)O)C=3C=CC(=CC3)OC is A beta-D-galactoside that is the 4-methoxyphenyl glycoside of a disaccharide consisting of a beta-D-glucuronic acid residue linked (1->3) to beta-D-galactose. Its functional parent is beta-D-GlcpA-(1->3)-beta-D-Galp . It is a conjugate acid of beta-D-GlcA-(1->3)-beta-D-Gal-OC6H4-4-OMe(1-) . It is also related to or classified as beta-D-galactoside  . It is also related to or classified as disaccharide derivative .
The molecule OC(=O)C([O-])=O OC(=O)C([O-])=O is A dicarboxylic acid monoanion that is the conjugate base of oxalic acid. It has the role of plant metabolite . It has the role of human metabolite . It is a conjugate acid of oxalate(2-) . It is also related to or classified as oxalate , dicarboxylic acid monoanion .
The molecule Cc1c(F)c(F)c(COC(=O)[C@@H]2[C@H](\C=C(/Cl)C(F)(F)F)C2(C)C)c(F)c1F Cc1c(F)c(F)c(COC(=O)[C@@H]2[C@H](\C=C(/Cl)C(F)(F)F)C2(C)C)c(F)c1F is A 2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate in which both of the stereocentres have R configuration. It is also related to or classified as 2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate  .
The molecule Cl[C@@H](C(O)(C)C)CC1=CC2=C(NC(=C2/C=C/3\NC(=O)[C@H](C)NC3=O)C(C=C)(C)C)C=C1 Cl[C@@H](C(O)(C)C)CC1=CC2=C(NC(=C2/C=C/3\NC(=O)[C@H](C)NC3=O)C(C=C)(C)C)C=C1 is Variecolorin B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O=C(OC)CCCCCCC/C=C/CCCCCC O=C(OC)CCCCCCC/C=C/CCCCCC is Palmitelaidic acid methyl ester. It is also related to or classified as fatty acid methyl ester  .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C is an aza-steroid that is a synthetic drug for the treatment of benign prostatic hyperplasia. It has a role as an androgen antagonist, an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor and an antihyperplasia drug. It is an aza-steroid, a 3-oxo steroid and a delta-lactam. It derives from a hydride of a 5alpha-androstane.