anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C=1(C(CCC(C1C)=O)(C)C)/C=C/C(=C/C=C/C(=C/C(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)=O)/C)/C C=1(C(CCC(C1C)=O)(C)C)/C=C/C(=C/C=C/C(=C/C(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)=O)/C)/C is A retinoid glucosiduronic acid anion that is the conjugate base of 1-O-(4-oxoretinoyl)-beta-D-glucuronic acid arising from deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as retinoid glucosiduronic acid anion .
The molecule C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O[C@@H]2C[C@@](O[C@@H]([C@@H]2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)OP(=O)(O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)[C@H](CO)O)O)O)O)O)OP(=O)(O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)[C@@H](CO)O)(C(=O)O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)N)O)OP(=O)(O)O)[C@@H](CO)O)O)O is a branched twelve-membered oligosaccharide phosphate consisting of two galactose residues, three glucose residues, two 3-deoxy-D-manno-oct-2-ulosonic acid residues, three L-glycero-alpha-D-manno-heptose residues and two glucosamine residues, one of which is at the reducing end. The unit constitutes one of the two core oligosaccharide structures of enterobacterial lipopolysaccharide obtained from E. coli strain F470.
The molecule CCCCOC(=O)C(=C)C#N CCCCOC(=O)C(=C)C#N is enbucrilate. It is also related to or classified as nitrile  . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid .
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C is (5S,6R,9S)-14-(benzenesulfonamido)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O[Se]([O-])=O O[Se]([O-])=O is hydrogenselenite. It is a conjugate acid of selenite(2-) . It is also related to or classified as selenium oxoanion .
The molecule C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] is a dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of pemetrexed. It is a dicarboxylic acid dianion and a N-acyl-L-alpha-amino acid anion. It is a conjugate base of a pemetrexed.
The molecule O=C1C=2C(N3N(CCCC3)C2C(O)=O)=CC(=C1)C O=C1C=2C(N3N(CCCC3)C2C(O)=O)=CC(=C1)C is Nigellicine. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound .
The molecule CC(=O)OC1=CC=C(CO)C=C1 CC(=O)OC1=CC=C(CO)C=C1 is an aromatic primary alcohol that is benzyl alcohol in which the hydrogen at position 4 is substituted by an acetyloxy group. Its functional parent is benzyl alcohol . It is also related to or classified as phenyl acetates  .  It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as benzyl alcohols .
The molecule CCCCCCC[C@H](C(=O)[O-])O is the anion of (R)-2-hydroxynonanoic acid. It derives from a nonanoate. It is a conjugate base of a (R)-2-hydroxynonanoic acid.
The molecule C12(C(CCCC1(C)O2)(C)C)/C=C/C(=C/C=C/C(=C/C(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)=O)/C)/C C12(C(CCCC1(C)O2)(C)C)/C=C/C(=C/C=C/C(=C/C(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)=O)/C)/C is A retinoid glucuronide anion that is the conjugate base of 1-O-(5,6-epoxyretinoyl)-beta-D-glucuronic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as retinoid glucosiduronic acid anion .
The molecule OCNC(=O)C1=CN=CC=C1 OCNC(=O)C1=CN=CC=C1 is hydroxymethylnicotinamide. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule COC1=C(C=CC(=C1)SC)C(=O)NC2=C(C=C(C=N2)Cl)Cl COC1=C(C=CC(=C1)SC)C(=O)NC2=C(C=C(C=N2)Cl)Cl is N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-(methylthio)benzamide. It is also related to or classified as thiol  . It is also related to or classified as carbonyl compound .
The molecule CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC is a tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. It has a role as a local anaesthetic, a central nervous system stimulant, a sodium channel blocker, an adrenergic uptake inhibitor, a dopamine uptake inhibitor, a serotonin uptake inhibitor, a sympathomimetic agent, a vasoconstrictor agent, a xenobiotic, an environmental contaminant, a plant metabolite and a mouse metabolite. It is a methyl ester, a benzoate ester, a tertiary amino compound and a tropane alkaloid. It is a conjugate base of a cocaine(1+).
The molecule C1=C(C(=CC=C1S(=O)(=O)C)C(=O)C2=C(N(N=C2C=3C(=CC(=CC3)Cl)Cl)C(C)(C)C)O)Cl C1=C(C(=CC=C1S(=O)(=O)C)C(=O)C2=C(N(N=C2C=3C(=CC(=CC3)Cl)Cl)C(C)(C)C)O)Cl is DAS645. It has the role of EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor . It is also related to or classified as dichlorobenzene  . It is also related to or classified as sulfone  . It is also related to or classified as benzoylpyrazole  . It is also related to or classified as aromatic ketone .
The molecule C[C@@H]1C[C@H](CC2=CC[C@H](C[C@]12C)C(=C)C)O is an eremorphilane sesquiterpenoid that is (+)-5-epi-aristolochene in which the pro-R hydrogen at position 2 has been replaced by a hydroxy group. It is a carbobicyclic compound, an eremophilane sesquiterpenoid, a member of octahydronaphthalenes, a secondary alcohol and a homoallylic alcohol. It derives from a (+)-5-epi-aristolochene.
The molecule C12(C(CCCC1(C)O2)(C)C)/C=C/C(=C/C=C/C(=C/C([O-])=O)/C)/C C12(C(CCCC1(C)O2)(C)C)/C=C/C(=C/C=C/C(=C/C([O-])=O)/C)/C is A monocarboxylic acid anion that is the conjugate base of 5,6-epoxyretinoic acid 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 retinoid anion .
The molecule CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)C(=O)C3CCOCC3)C)OC)C CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)C(=O)C3CCOCC3)C)OC)C is 1-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(O)C(Cl)(Cl)Cl OC(O)C(Cl)(Cl)Cl is an organochlorine compound that is the hydrate of trichloroacetaldehyde. It has the role of xenobiotic . It has the role of sedative . It has the role of general anaesthetic . It has the role of mouse metabolite .  It is also related to or classified as organochlorine compound  . It is also related to or classified as aldehyde hydrate  . It is also related to or classified as ethanediol .
The molecule CC(=O)OC1=CC(C)=CC=C1 CC(=O)OC1=CC(C)=CC=C1 is cresatin. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)C(=O)CN(C)C)C)OC)C CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)C(=O)CN(C)C)C)OC)C is N-[(5R,6R,9S)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C=1C(=C(C=C2C1CC[NH+]3C[C@@H]([C@@](C[C@@]23[H])([H])C[C@@]4([H])[NH2+]CCC=5C4=CC(=C(C5)O)O)CC)OC)OC C=1C(=C(C=C2C1CC[NH+]3C[C@@H]([C@@](C[C@@]23[H])([H])C[C@@]4([H])[NH2+]CCC=5C4=CC(=C(C5)O)O)CC)OC)OC is major species at pH 7.3. It is also related to or classified as ammonium ion derivative .
The molecule C[C@@]1([C@@H]2[C@@H]3C[C@@H]4C[C@@]2(C=CC1=O)[C@H]([C@@]4(O3)C)O)CCC(=O)O is a polycyclic cage that is the 14-hydroxy derivative of platensic acid. It is isolated from Streptomyces platensis. It has a role as a metabolite. It is a cyclic ether, a cyclic ketone, a monocarboxylic acid, a secondary alcohol and a polycyclic cage. It derives from a platensic acid.
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)(O)CO [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)(O)CO is bufol. It has the role of farnesoid X receptor agonist . It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as 7alpha-hydroxy steroid  . It is also related to or classified as 12alpha-hydroxy steroid , 26-hydroxy steroid , 25-hydroxy steroid , bile alcohol .
The molecule COC1=CC(=O)OC(=C1)[C@H]2[C@@H](O2)C3=CC=CC=C3 is a pyranone that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3-phenyloxiran-2-yl group at position 6 (the 2R,3S stereoisomer). Isolated from Didymocarpus aurantiacus and Piper rusbyi, it exhibits antileishmanial activity. It has a role as an antileishmanial agent and a metabolite. It is an epoxide, an ether and a member of 2-pyranones.
The molecule COc1cc(C[C@H]2c3c(CC[N@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@@+]2(C)CCc4cc(OC)c(OC)c(OC)c4[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c(OC)c3OC)cc(OC)c1OC COc1cc(C[C@H]2c3c(CC[N@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@@+]2(C)CCc4cc(OC)c(OC)c(OC)c4[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c(OC)c3OC)cc(OC)c1OC is the (1S,2R,1'S,2'R)-diastereoisomer of doxacurium. It is also related to or classified as quaternary ammonium ion  .  It is also related to or classified as diester  . It is also related to or classified as succinate ester .
The molecule C=1(C(CCC(C1C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C([O-])=O)O)O)O)(C)C)/C=C/C(=C/C=C/C(=C/C([O-])=O)/C)/C C=1(C(CCC(C1C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C([O-])=O)O)O)O)(C)C)/C=C/C(=C/C=C/C(=C/C([O-])=O)/C)/C is A retinoid glucosiduronic acid anion obtained by deprotonation of the carboxy groups of 4-(beta-D-glucopyranuronosyloxy)retinoic acid; major species at pH 7.3. It is also related to or classified as retinoid glucosiduronic acid anion .
The molecule [O-][N+]1=CC=CC(=C1)C(O)=O [O-][N+]1=CC=CC(=C1)C(O)=O is oxiniacic acid. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule CCCCCCCCCCCCCCCCCCCCC(O)CCCCC CCCCCCCCCCCCCCCCCCCCC(O)CCCCC is A secondary fatty alcohol that is hexacosane substituted by a hydroxy group at position 6. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as hexacosanol .
The molecule C1=CC(=C(C(=C1)O)O)C2=C(C=CC=C2Cl)Cl is a hydroxybiphenyl that is catechol in which the hydrogen at position 3 has been replaced by a 2,6-dichlorophenyl group. It is a member of hydroxybiphenyls, a member of catechols and a dichlorobenzene. It derives from a biphenyl-2,3-diol.
The molecule [Cl-].[Cl-].COc1cc(C[C@H]2c3c(CC[N@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@@+]2(C)CCc4cc(OC)c(OC)c(OC)c4[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c(OC)c3OC)cc(OC)c1OC [Cl-].[Cl-].COc1cc(C[C@H]2c3c(CC[N@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@@+]2(C)CCc4cc(OC)c(OC)c(OC)c4[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c(OC)c3OC)cc(OC)c1OC is the dichloride salt of (1S,2R,1'S,2'R)-doxacurium.   It is also related to or classified as diester  . It is also related to or classified as chloride salt , quaternary ammonium salt .
The molecule Cl[Al-](Cl)(Cl)Cl Cl[Al-](Cl)(Cl)Cl is tetrachloroaluminate(1-). It is also related to or classified as aluminium coordination entity , perchlorometallate anion .
The molecule [Cl-].[Cl-].COc1cc(C[C@@H]2c3c(CC[N@@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@+]2(C)CCc4cc(OC)c(OC)c(OC)c4[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c(OC)c3OC)cc(OC)c1OC [Cl-].[Cl-].COc1cc(C[C@@H]2c3c(CC[N@@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@+]2(C)CCc4cc(OC)c(OC)c(OC)c4[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c(OC)c3OC)cc(OC)c1OC is the dichloride salt of (1R,2S,1'R,2'S)-doxacurium.   It is also related to or classified as diester  . It is also related to or classified as chloride salt , quaternary ammonium salt .
The molecule CC(C)C[NH3+] is a primary aliphatic ammonium ion that is the conjugate acid of 2-methylpropanamine. It is a conjugate acid of a 2-methylpropanamine.
The molecule C1C(C(=C(CC1)C)/C=C/C(/C)=C/C=C/C(/C)=C/C(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)=O)(C)C C1C(C(=C(CC1)C)/C=C/C(/C)=C/C=C/C(/C)=C/C(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)=O)(C)C is A retinoid glucuronide anion that is the conjugate base of 1-O-all-trans-retinoyl-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 retinoid glucosiduronic acid anion .
The molecule C1C2(CN1CC3=NC=CS3)[C@@H]([C@H](N2C(=O)C4=CC=CC=C4)CO)C5=CC=CC=C5 C1C2(CN1CC3=NC=CS3)[C@@H]([C@H](N2C(=O)C4=CC=CC=C4)CO)C5=CC=CC=C5 is [(2S,3R)-2-(hydroxymethyl)-3-phenyl-6-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-1-yl]-phenylmethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule COC(=O)C1=CC=CN=C1 COC(=O)C1=CC=CN=C1 is methyl nicotinate. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)COC C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)COC is N-[(5S,6S,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6 is the amide resulting from the formal condensation of 4-[(biphenyl-2-ylcarbonyl)amino]benzoic acid with the benzazepine nitrogen of 2-methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine. It is an antagonist for two of the three types of arginine vasopressin (AVP) receptors, V1a and V2. It is used as its hydrochloride salt for the treatment of hyponatraemia (low blood sodium levels) caused by syndrome of inappropriate antidiuretic hormone (SIADH). It has a role as a vasopressin receptor antagonist.
The molecule OC1=C(CC2=CC=C(C=C2)N=[N+]=[N-])C(=O)OC2=C1C=CC=C2 OC1=C(CC2=CC=C(C=C2)N=[N+]=[N-])C(=O)OC2=C1C=CC=C2 is A hydroxycoumarin that is 4-hydroxycoumarin which is substituted at position 3 by a 4-azidobenzyl group. It is a photoaffinity probe used in the identification of warfarin-binding proteins present in mammalian tissue. It has the role of anticoagulant . It has the role of EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor . It is also related to or classified as azide  . It is also related to or classified as hydroxycoumarin .
The molecule CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)O[C@]5(C(=O)C=CC(=O)C5=C4O)C)O)O)C(=C6C(=O)C=C[C@@H]([C@@]6(O2)C)O)O is a biaryl that is 5',10a'-dihydro-9H,9'H-2,2'-bixanthene-5,9,9'(10aH)-trione substituted by hydroxy groups at positions 1, 1', 5', 8 and 8' and methyl groups at positions 3, 3', 10a and 10a'. Isolated from the cultures of a Hawaiian isolate of the fungus Phoma species, it exhibits antibacterial and antifungal activities. It has a role as an antibacterial agent and a fungal metabolite. It is a biaryl, a polyphenol, a polyketide and a member of xanthones.
The molecule C(\C=C\C=C(C)C)(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C(O)=O)\C)\C)\C)/C)/C C(\C=C\C=C(C)C)(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C(O)=O)\C)\C)\C)/C)/C is an apo carotenoid triterpenoid that is 4,4'-diapolycopene in which one of the terminal methyl groups has been replaced by a carboxy group. It has the role of bacterial metabolite . Its functional parent is 4,4'-diapolycopene . It is a conjugate acid of 4,4'-diapolycopen-4-oate . It is also related to or classified as apo carotenoid triterpenoid , alpha,beta-unsaturated monocarboxylic acid .
The molecule C1=CC(=C(C=C1CC(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OCCC3=CC(=C(C=C3O)O)O)CO)O)O)O)O is a beta-D-glucoside with 2-(2,4,5-trihydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 6. Isolated from Ternstroemia japonica, it exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It is a beta-D-glucoside, a carboxylic ester, a member of catechols, a monosaccharide derivative and a phenylethanoid.
The molecule CC1=C(C(O)=O)C2=C(C=CC(F)=C2)N=C1C1=CC=C(C=C1)C1=CC=CC=C1F CC1=C(C(O)=O)C2=C(C=CC(F)=C2)N=C1C1=CC=C(C=C1)C1=CC=CC=C1F is A quinolinemonocarboxylic acid that is quinoline substituted by 2'-fluoro[1,1'-biphenyl]-4-yl, methyl, carboxy and fluoro groups at positions 2, 3, 4, and 6, respectively. It is an inhibitor of dihydroorotate dehydrogenase, an enzyme that is required for de novo pyrimidine biosynthesis. The compound exhibits antineoplastic and antiviral properties. It has the role of anticoronaviral agent . It has the role of antiviral agent . It has the role of antimetabolite . It has the role of antineoplastic agent . It has the role of immunosuppressive agent . It has the role of pyrimidine synthesis inhibitor . It has the role of EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor . It is a conjugate acid of brequinar(1-) .    It is also related to or classified as monofluorobenzenes  . It is also related to or classified as biphenyls , monocarboxylic acid , quinolinemonocarboxylic acid .
The molecule OCC(CO)(CO)CO OCC(CO)(CO)CO is A tetrol that is neopentane in which one of the methyl hydrogens of all four methyl groups are replaced by hydroxy groups. It is a chemical intermediate used in the production of explosives, plastics, paints, appliances, and cosmetics. It has the role of laxative . It has the role of flame retardant . It is also related to or classified as primary alcohol  . It is also related to or classified as tetrol .
The molecule CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CCC3=CC=CC=C3)C CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CCC3=CC=CC=C3)C is N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CN1C[C@@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC CN1C[C@@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC is LSM-13748. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CON1C=C(C2=CC=CC=C21)CN is an aminoalkylindole that is 3-(aminomethyl)indole in which the hydrogen at position 1 has been replaced by a methoxy group. It has a role as a plant metabolite.
The molecule C\C=C\C=C\C([O-])=O C\C=C\C=C\C([O-])=O is A sorbate obtained by deprotonation of the carboxy group of (E,E)-sorbic acid. It is also related to or classified as sorbate  .
The molecule CCSCC1=CC=CO1 CCSCC1=CC=CO1 is A member of the class of furans that is furan substituted by an (ethylsulfanyl)methyl group at position 2. It has the role of flavouring agent . It has the role of plant metabolite . It is also related to or classified as organic sulfide  . It is also related to or classified as furans .
The molecule CCCCC/C=C\\C/C=C\\C=C\\[C@H](C/C=C\\CCCC(=O)[O-])OO is a HPETE anion obtained by deprotonation of the carboxy group of (8S)-HPETE. It is a HPETE anion and an 8-HPETE(1-). It is a conjugate base of an 8(S)-HPETE. It is an enantiomer of an 8(R)-HPETE(1-).
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCC2=CC=C(C=C2)C=3C=CC=CC3)=O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCC2=CC=C(C=C2)C=3C=CC=CC3)=O is A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 6-([1,1'-biphenyl]-4-yl)hexanoyl group attached to the nitrogen. Its functional parent is alpha-D-galactose . It is also related to or classified as glycophytoceramide .
The molecule [H][C@]1(CCN(C)[C@H]1CO)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=CC=C1Cl [H][C@]1(CCN(C)[C@H]1CO)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=CC=C1Cl is A synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a (2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl group at position 8 and by a chlorine at the 2' position. A cyclin-dependent kinase inhibitor that exhibits anti-cancer properties. It has the role of antineoplastic agent . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It is also related to or classified as primary alcohol  . It is also related to or classified as dihydroxyflavone , N-alkylpyrrolidine , monochlorobenzenes .
The molecule Cl[Al](Cl)Cl Cl[Al](Cl)Cl is aluminium trichloride. It has the role of Lewis acid . It is also related to or classified as aluminium coordination entity .
The molecule CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@H](CO2)C)CC3=CC=C(C=C3)F)C)OC)C CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@H](CO2)C)CC3=CC=C(C=C3)F)C)OC)C is N-[(5R,6S,9S)-8-[(4-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)(C)[C@H](/C(=C\\C1=CC=C(C=C1)Cl)/N2C=NC=N2)O is a (1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol that has R configuration at the chiral centre. It is the enantiomer of the fungicide and plant growth retardant uniconazole-P; the fungicide and plant growth retardant uniconazole is the racemic mixture comprising equimolar amounts of (R)-uniconazole and uniconazole-P. It is an enantiomer of a uniconazole P.
The molecule CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)([O-])[O-] is a organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of thymidine 3'-monophosphate. Major structure at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a thymidine 3'-monophosphate.
The molecule OC[C@H]1OC(OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1OC(OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A glycosyl glycoside consisting of a D-glucopyranose residue and a D-galactopyranose residue joined by a (1<->1) glycosidic bond. It is also related to or classified as glycosyl glycoside .
The molecule C/1(\C[C@H]2O[C@@H](C1)C[C@]3(C([C@H](C[C@@H](C[C@H](CC(O[C@@H]([C@@H](C)O)C[C@@]4(C\C(\[C@@H]([C@](C(C=C2)(C)C)(O4)O)OC(/C=C/C=C/CCC)=O)=C/C(OC)=O)[H])=O)O)O3)O)(C)C)O)=C\C(OC)=O C/1(\C[C@H]2O[C@@H](C1)C[C@]3(C([C@H](C[C@@H](C[C@H](CC(O[C@@H]([C@@H](C)O)C[C@@]4(C\C(\[C@@H]([C@](C(C=C2)(C)C)(O4)O)OC(/C=C/C=C/CCC)=O)=C/C(OC)=O)[H])=O)O)O3)O)(C)C)O)=C\C(OC)=O is A member of the class of bryostatins that is bryostatin 1 in which the acetoxy group has been replaced by a hydroxy group. It has the role of antineoplastic agent . It has the role of protein kinase C agonist . It has the role of marine metabolite . It is also related to or classified as methyl ester  .  It is also related to or classified as secondary alcohol  .  It is also related to or classified as enoate ester  . It is also related to or classified as bryostatins , organic heterotetracyclic compound , cyclic hemiketal .
The molecule CC(C)=C1CCC(C)[C@@]2([H])CC[C@]3([C@H](O)CC[C@H]([C@]3([H])[C@]21[H])C)C CC(C)=C1CCC(C)[C@@]2([H])CC[C@]3([C@H](O)CC[C@H]([C@]3([H])[C@]21[H])C)C is A diterpene that is produced by a diterpene synthase from Catenulispora acidiphila. It has the role of bacterial metabolite . It is also related to or classified as diterpene  . It is also related to or classified as organic tricyclic compound .
The molecule CCOC(=O)N1CCC(CC1)C2=CC(=O)N3C(=N2)C(=C(N3)C)C4=CC=C(C=C4)F CCOC(=O)N1CCC(CC1)C2=CC(=O)N3C(=N2)C(=C(N3)C)C4=CC=C(C=C4)F is 4-[3-(4-fluorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid ethyl ester. It is also related to or classified as pyrazoles , ring assembly .