anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H]C(=O)C1=C(C)C(CC)=C(CC2=C(C)C3=C(N2)\C([C@@H](C(=O)OC)C3=O)=C2/N=C(CC3NC(=O)C(C=C)=C3C)[C@@H](C)[C@@H]2CCC([O-])=O)N1 [H]C(=O)C1=C(C)C(CC)=C(CC2=C(C)C3=C(N2)\C([C@@H](C(=O)OC)C3=O)=C2/N=C(CC3NC(=O)C(C=C)=C3C)[C@@H](C)[C@@H]2CCC([O-])=O)N1 is A monocarboxylic acid anion that is the conjugate base of  primary fluorescent chlorophyll catabolite resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of primary fluorescent chlorophyll catabolite(2-) . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as linear tetrapyrrole anion .
The molecule CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C3=CC=C(C=C3)F.[Na+] is an organic sodium salt resulting from the replacement of the proton from the carboxy group of (3R,5S)-fluvastatin by a sodium ion. It is an organic sodium salt and a statin (synthetic). It contains a (3R,5S)-fluvastatin(1-). It is an enantiomer of a (3S,5R)-fluvastatin sodium.
The molecule CCCCCCCC(O)CC CCCCCCCC(O)CC is A secondary alcohol that is decane substituted by a hydroxy group at position 3. It has the role of Arabidopsis thaliana metabolite . It has the role of pheromone . It has the role of flavouring agent . It has the role of animal metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as decanol .
The molecule C1=CC=C(C=C1)C2=C(C=CC(=C2Cl)Cl)Cl is a trichlorobiphenyl that is 1,2,4-trichlorobenzene in which the hydrogen at position 3 has been replaced by a phenyl group. It is a trichlorobiphenyl and a trichlorobenzene.
The molecule COc1cc(ccc1O)-c1oc2cc(OC)c(O)c(O)c2c(=O)c1OC COc1cc(ccc1O)-c1oc2cc(OC)c(O)c(O)c2c(=O)c1OC is A trimethoxyflavone that is the 3,7,3'-trimethyl ether derivative of quercetagetin. It has the role of antiviral agent . It has the role of antineoplastic agent . It has the role of plant metabolite . Its functional parent is quercetagetin . It is also related to or classified as trihydroxyflavone , trimethoxyflavone .
The molecule [O-]C(=O)c1ccccc1-c1ccccc1C([O-])=O [O-]C(=O)c1ccccc1-c1ccccc1C([O-])=O is A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of diphenic acid. It is also related to or classified as dicarboxylic acid dianion  .
The molecule [C@@H]1(N2C3=C(C(N)=NC=N3)N=C2)O[C@@H]([C@H]([C@H]1O)OP(=O)([O-])[O-])COP(O[C@@H]4[C@H](O[C@@H](N5C6=C(C(=O)NC(=N6)N)N=C5)[C@@H]4O)COP(O[C@@H]7[C@H](O[C@@H](N8C9=C(C(N)=NC=N9)N=C8)[C@@H]7O)CO)([O-])=O)(=O)[O-] [C@@H]1(N2C3=C(C(N)=NC=N3)N=C2)O[C@@H]([C@H]([C@H]1O)OP(=O)([O-])[O-])COP(O[C@@H]4[C@H](O[C@@H](N5C6=C(C(=O)NC(=N6)N)N=C5)[C@@H]4O)COP(O[C@@H]7[C@H](O[C@@H](N8C9=C(C(N)=NC=N9)N=C8)[C@@H]7O)CO)([O-])=O)(=O)[O-] is major microspecies at pH 7.3.  It is also related to or classified as oligonucleotide  . It is also related to or classified as organophosphate oxoanion .
The molecule O=C(N1CCNC(CC=2C=CC=CC2)C1)CCCCCS O=C(N1CCNC(CC=2C=CC=CC2)C1)CCCCCS is A member of the class of piperazines that is piperazine substituted by sulfanylhexanoyl and benzyl groups at positions 1 and 3R, respectively. It has the role of hapten . It is also related to or classified as tertiary carboxamide  .  It is also related to or classified as thiol  . It is also related to or classified as benzenes , N-acylpiperazine .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C(=O)N[C@@H](COP(=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)[C@@H]([C@H](CCCCCCCCCCCCCC)O)O)O is an inositol phosphophytoceramide(1-) having a 2-hydroxyhexacosanoyl group attached to the ceramide nitrogen. Major species at pH 7.3. It is a conjugate base of an Ins-1-P-Cer(t18:0/2-OH-26:0).
The molecule CCCCCCCC(O)CCCCCCO CCCCCCCC(O)CCCCCCO is A tetradecanediol that is tetradecane carrying hydroxy groups at positions 1 and 7. It is also related to or classified as tetradecanediol .
The molecule [15O] [15O] is the radioactive isotope of oxygen with relative atomic mass 15.003065. The longest-lived oxygen radionuclide with half-life of 122.2 s. It is also related to or classified as oxygen atom  .
The molecule CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO.O is a hydrate that is the monohydrate of dasatinib. It is used for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN). It has a role as an antineoplastic agent and a tyrosine kinase inhibitor. It contains a dasatinib (anhydrous).
The molecule SCCCCCCNC(C)CC=1C=CC=CC1 SCCCCCCNC(C)CC=1C=CC=CC1 is A thiol that is 6-aminohexane-1-thiol in which the amino group is substituted by a [(2S)-1-phenylpropan-2-yl]amino group. It has the role of hapten .  It is also related to or classified as thiol  . It is also related to or classified as benzenes , secondary amino compound .
The molecule C1CCN2[C@@H](CN(C1)CC3=CC=NC=C3)[C@@H]([C@@H]2CO)C4=CC=C(C=C4)C5=CCCC5 C1CCN2[C@@H](CN(C1)CC3=CC=NC=C3)[C@@H]([C@@H]2CO)C4=CC=C(C=C4)C5=CCCC5 is [(8R,9S,10R)-9-[4-(1-cyclopentenyl)phenyl]-6-(pyridin-4-ylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC)C4=C(NNC4=O)C CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC)C4=C(NNC4=O)C is benzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] ester. It is also related to or classified as benzenesulfonate ester  .
The molecule CN1C[C@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=C(C=C3)C#N)C(=O)N(C[C@@H](CC1=O)C4=CC=CC=C4)C)OC CN1C[C@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=C(C=C3)C#N)C(=O)N(C[C@@H](CC1=O)C4=CC=CC=C4)C)OC is LSM-37507. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])O[C@@H]2[C@@H]([C@H]([C@H](CO2)[NH3+])O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O is the lipid oxoanion formed from lipid IIA by deprotonation of the phosphate hydroxy groups and protonation of the amino group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a lipid IIA. It is a conjugate acid of a lipid IIA(3-).
The molecule [O-]C(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](C/C=C\CC)O)=O [O-]C(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](C/C=C\CC)O)=O is A hydroxydocosahexaenoate that is the conjugate base of (17S)-HDHA, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as hydroxydocosahexaenoate .
The molecule CCCCCCCCCCCCCCCC(=O)OC/C=C(\\C)/C=C/C=C(/C)\\C=C\\C1=C(CCCC1(C)C)C is a retinyl palmitate obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of 9-cis-retinol. It derives from a 9-cis-retinol.
The molecule [15N] [15N] is the stable isotope of nitrogen with relative atomic mass 15.000109. The least abundant (0.368 atom percent) isotope of naturally occurring nitrogen. It is also related to or classified as nitrogen atom  .
The molecule COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=CN=CC=C3 COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=CN=CC=C3 is 2-[4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-3-thiazolidinyl]-N-(3-pyridinyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H]C1(C2=CC=C(F)C=C2)CCNCC1COC3=CC=4OCOC4C=C3[N+](=O)[O-] [H]C1(C2=CC=C(F)C=C2)CCNCC1COC3=CC=4OCOC4C=C3[N+](=O)[O-] is A C-nitro compound that is paroxetine substituted by a nitro group at position 6. Its functional parent is paroxetine .     It is also related to or classified as monofluorobenzenes  . It is also related to or classified as piperidines , aromatic ether , C-nitro compound , benzodioxoles .
The molecule CCCCCCCCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O is a fatty acyl-AMP that results from the formal condensation of the phosphoryl group of AMP with the carboxyl group of tetradecanoic (myristic) acid. It derives from a tetradecanoic acid. It is a conjugate acid of a tetradecanoyl-AMP(1-).
The molecule C(C/C=C\C=C\[C@H](CCCCC)O)CCCCCCCC(=O)[O-] C(C/C=C\C=C\[C@H](CCCCC)O)CCCCCCCC(=O)[O-] is A hydroxyeicosadienoate that is the conjugate base of 15(S)-HEDE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion  .
The molecule C([C@@H](C(=O)NCC(=O)O)N)SN=O is a dipeptide resulting from the formal condensation of the carboxylic acid group of S-nitroso-L-cysteine with the amino group of glycine. It is a dipeptide, a nitroso compound and a nitrosothio compound.
The molecule CC1=[NH+][C@@H]([C@@H](O)CN1)C([O-])=O CC1=[NH+][C@@H]([C@@H](O)CN1)C([O-])=O is an iminium betaine resulting from a transfer of a proton from the carboxy group to the imino group of 5-hydroxyectoine.  It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as iminium betaine .
The molecule CC\C=C/CCCCCCCCCC(O)=O CC\C=C/CCCCCCCCCC(O)=O is the cis-isomer of tetradec-11-enoic acid. It is also related to or classified as 11-tetradecenoic acid  .
The molecule [H]C(C)=CCCC([H])=CCCC([H])=CC(O)=O [H]C(C)=CCCC([H])=CCCC([H])=CC(O)=O is dodeca-2,6,10-trienoic acid. It is also related to or classified as dodecatrienoic acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule C1=CC=C(C=C1)COC(=O)CC2=CN3C=CSC3=N2 C1=CC=C(C=C1)COC(=O)CC2=CN3C=CSC3=N2 is 2-(6-imidazo[2,1-b]thiazolyl)acetic acid (phenylmethyl) ester. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule CC1=C(C=CO1)C(=O)NC2=CC=CC=C2 is an anilide having 2-methyl-2-furoyl as the N-acyl group. A seed-treatment fungicide used to control bunts and smuts in cereals. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. It is an anilide, a member of furans and a furanilide fungicide.
The molecule C(\CC)=C\C/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)[O-])O C(\CC)=C\C/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)[O-])O is A hydroxyeicosapentaenoate that is the conjugate base of 12(S)-HEPE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as HEPE(1-) .
The molecule C1[C@@H]([C@H](OC1OP(=O)([O-])[O-])CO)O is dianion of 2-deoxy-D-ribofuranose 1-phosphate. It has a role as a human metabolite. It is a conjugate base of a 2-deoxy-D-ribofuranose 1-phosphate.
The molecule C1=CSC(=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)Cl C1=CSC(=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)Cl is 3,4-dichloro-N-(2-thiophen-2-ylethyl)benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@@H]3[C@@H](COP([O-])(=O)O[C@H]2[C@H]1O)O[C@H]([C@@H]3O)n1cnc2c1nc(N)[nH]c2=O Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@@H]3[C@@H](COP([O-])(=O)O[C@H]2[C@H]1O)O[C@H]([C@@H]3O)n1cnc2c1nc(N)[nH]c2=O is dianion of cyclic di-3',5'-guanylic acid. It is also related to or classified as organophosphate oxoanion .
The molecule C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O is a C-glycosyl compound that is luteolin substituted by beta-D-glucopyranosyl moieties at positions 6 and 8 respectively. It is a C-glycosyl compound and a tetrahydroxyflavone. It derives from a luteolin.
The molecule CC1(C2=C(C=CC(=C2)C(=O)O)[N+](=C1/C=C/C=C/C=C/C=C\\3/C(C4=C(N3CCCCS(=O)(=O)[O-])C=CC(=C4)S(=O)(=O)[O-])(C)C)CCCCS(=O)(=O)[O-])C is an anionic unsymmetrical C7 cyanine dye having differentially substituted indoleinine units at either end. It has a role as a fluorochrome. It is an organosulfonate oxoanion and a cyanine dye.
The molecule CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)[C@H](CSC1=CC=CS1)C(=O)NO CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)[C@H](CSC1=CC=CS1)C(=O)NO is A secondary carboxamide resulting from the formal condensation of the carboxy group of (2S,3R)-5-methyl-3-{[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-[(thiophen-2-ylsulfanyl)methyl]hexanoic acid with the amino group of hydroxylamine. It a broad-spectrum matrix metalloprotease inhibitor. It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of matrix metalloproteinase inhibitor . It is also related to or classified as secondary carboxamide  . It is also related to or classified as organic sulfide  . It is also related to or classified as hydroxamic acid , thiophenes , triamide , L-phenylalanine derivative .
The molecule [C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)(O)[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-] is an inositol phosphate oxoanion obtained by deprotonation of all but one of the phosphate and diphosphate OH groups of 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC5=C(C=C4)OCO5 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC5=C(C=C4)OCO5 is N-[(3S,9S,10S)-9-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Oc1ccccc1Oc1cccc(O)c1O Oc1ccccc1Oc1cccc(O)c1O is diphenyl ether in which the hydrogens at the 2, 3, and 2' positions are substituted by hydroxy groups. It has the role of mouse metabolite . It is a conjugate acid of 2,2',3-trihydroxydiphenyl ether(2-) . It is also related to or classified as catechols  .  It is also related to or classified as phenols  . It is also related to or classified as aromatic ether .
The molecule [14N] [14N] is the stable isotope of nitrogen with relative atomic mass 14.003074. The most abundant (99.63 atom percent) isotope of naturally occurring nitrogen. It is also related to or classified as nitrogen atom  .
The molecule [2H]C([2H])([2H])C(CCC[C@@H](CC#CC(C(F)(F)F)(C(F)(F)F)O)[C@H]1CC[C@@H]\\2[C@@]1(CCC/C2=C\\C=C/3\\C[C@H](C[C@@H](C3=C)O)O)C)(C([2H])([2H])[2H])O is a hydroxycalciol that is a synthetic fluorinated and deuterated analogue of vitamin D3 which exhibits vitamin D receptor superagonist and anti-cancer activity. It has a role as a vitamin D receptor agonist and an antineoplastic agent. It is a member of D3 vitamins, a hydroxycalciol, a deuterated compound, an organofluorine compound and a tetrol.
The molecule Cl.NC(CC1C(=O)NC2=CC=CC=C12)C(O)=O Cl.NC(CC1C(=O)NC2=CC=CC=C12)C(O)=O is A hydrochloride obtained by reaction of 2-amino-3-(2-oxo-2,3-dihydro-1H-indol-3-yl)propanoic acid with one equivalent of hydrochloric acid. It is also related to or classified as hydrochloride .
The molecule C(#CC(=O)[O-])C(=O)[O-] is a dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of acetylenedicarboxylic acid. It is a C4-dicarboxylate and a dicarboxylic acid dianion. It is a conjugate base of an acetylenedicarboxylate(1-).
The molecule [H][C@@]12C[C@H](\C(=C\O)C(=O)OC)\C(CN1CCC1=C2NC2=CC=CC=C12)=C\C [H][C@@]12C[C@H](\C(=C\O)C(=O)OC)\C(CN1CCC1=C2NC2=CC=CC=C12)=C\C is an indole alkaloid with formula C21H24N2O3. It has the role of plant metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as enol  . It is also related to or classified as organic heterotetracyclic compound , indole alkaloid .
The molecule [H]C(=O)c1[nH]c(Cc2[nH]c3\C([C-](C(=O)OC)C(=O)c3c2C)=C2/N=C(/C=C3NC(=O)C(C=C)=C\3C)[C@@H](C)[C@@H]2CCC([O-])=O)c(CC)c1C [H]C(=O)c1[nH]c(Cc2[nH]c3\C([C-](C(=O)OC)C(=O)c3c2C)=C2/N=C(/C=C3NC(=O)C(C=C)=C\3C)[C@@H](C)[C@@H]2CCC([O-])=O)c(CC)c1C is dianion of red chlorophyll catabolite. It is also related to or classified as linear tetrapyrrole anion .
The molecule C#CCC(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of 3-butynoic acid; major species at pH 7.3. It is a conjugate base of a 3-butynoic acid.
The molecule C[C@](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)(C(=O)[O-])O is pentaanion of (3S)-citramalyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions. It has a role as a human metabolite. It is a conjugate base of a (3S)-citramalyl-CoA.
The molecule S(=O)(=O)(O)N[C@@H](CS)C(=O)NCC(=O)O S(=O)(=O)(O)N[C@@H](CS)C(=O)NCC(=O)O is Sulfocysteinyl-glycine.  It is also related to or classified as dipeptide  . It is also related to or classified as cysteine derivative .
The molecule CCCCC/C=C\\C[C@@H](/C=C/CCCCCCC(=O)O)OO is (8E,12Z)-10-hydroperoxy-8,12-octadecadienoic acid with S-configuration at C-10. It is a conjugate acid of an (8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoate. It is an enantiomer of an (8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoic acid.
The molecule C[C@@H]1CC[C@@H](C[C@@H]1O)C(C)=C C[C@@H]1CC[C@@H](C[C@@H]1O)C(C)=C is A dihydrocarveol with a (1R,2S,4S)-configuration. It is also related to or classified as dihydrocarveol  .
The molecule CC1(C)C[C@@H]1C(=O)N\C(C(O)=O)=C/CCCCSC[C@H](N)C([O-])=O CC1(C)C[C@@H]1C(=O)N\C(C(O)=O)=C/CCCCSC[C@H](N)C([O-])=O is the anion resulting from the removal of a proton from a carboxylic acid group of cilastatin. It is also related to or classified as dicarboxylic acid monoanion .
The molecule O=C1[C@@]2([C@](OCC1)(C=CC=3[C@@H]2[C@@H](O)C[C@@H](C3)C)C)C O=C1[C@@]2([C@](OCC1)(C=CC=3[C@@H]2[C@@H](O)C[C@@H](C3)C)C)C is LL-N313ζ. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [6He] [6He] is the radioactive isotope of helium with relative atomic mass 6.01889 and half-life of 806.7 ms. It is also related to or classified as helium atom  .
The molecule CC(=O)N[C@@H](CO)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)CO CC(=O)N[C@@H](CO)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)CO is A glycosyl alditol derivative that is N-acetyl-D-galactosaminitol in which the hydroxy group at position 3 has been glycosylated by an alpha-D-galactopyranosyl group. Its functional parent is alpha-D-galactose . Its functional parent is N-acetyl-D-galactosaminitol . It is also related to or classified as acetamides , glycosyl alditol derivative .
The molecule COC1=CC2=C(C=C1)NC=C2CC(=O)O is a member of the class of indole-3-acetic acids in which the hydrogen at position 5 of indole-3-acetic acid has been replaced by a methoxy group. It has a role as a Brassica napus metabolite, a human urinary metabolite, an antibacterial agent, a marine xenobiotic metabolite, a carcinogenic agent and a rat metabolite. It is a member of indole-3-acetic acids and an aromatic ether.
The molecule CC1(SC[C@H](N1)C(=O)O)C(=O)O CC1(SC[C@H](N1)C(=O)O)C(=O)O is (4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid. It is also related to or classified as L-alpha-amino acid  . It is also related to or classified as thiazolidines , dicarboxylic acid .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as stearoyl and linoleoyl respectively. It has a role as a mouse metabolite. It is a 1,2-diacyl-sn-glycerol and a diacylglycerol 36:2. It derives from an octadecanoic acid and a linoleic acid.
The molecule CC1=C(SC2=C1C(=NC=N2)SCC3=CC=C(O3)C(=O)OC)C CC1=C(SC2=C1C(=NC=N2)SCC3=CC=C(O3)C(=O)OC)C is 5-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-2-furancarboxylic acid methyl ester. It is also related to or classified as thienopyrimidine  . It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
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)C[C@@](C(=O)[O-])(O)CC(=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(=O)C[C@@](C(=O)[O-])(O)CC(=O)[O-])=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is hexaanion of (3S)-citryl-CoA arising from deprotonation of phosphate, diphosphate and carboxy functions. It is also related to or classified as acyl-CoA oxoanion .
The molecule CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C4C=C(C=CC4=O)C)NN3 CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C4C=C(C=CC4=O)C)NN3 is N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H]C(=O)NC1CCCCC1 [H]C(=O)NC1CCCCC1 is A member of the class of  formamides that is cyclohexane substituted by a formamido group. It has the role of mouse metabolite . Its functional parent is formamide . It is also related to or classified as formamides , alicyclic compound .
The molecule CC1CCC(=O)CC1 CC1CCC(=O)CC1 is A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 4. It has the role of flavouring agent . It has the role of plant metabolite . It is also related to or classified as cyclohexanones .
The molecule CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4C)O)C(=O)C6=C(C5=O)C=C(C=C6O)O)O)O is a member of the class of bianthracenes resulting from the oxidative dimerisation of emodin between position 4 of one molecule and position 5 of the other. It derives from an emodin.
The molecule C(CCCCCCCCCCCCCO)CCCCCCCCCCCCC(=O)O is a omega-hydroxy fatty acid that is heptacosanoic acid substituted by a hydroxy group at position 27. It derives from a heptacosanoic acid.
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A branched amino octasaccharide that consists of the linear tetrasaccharide beta-D-Xyl-(1->2)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-GlcNAc in which the Man residue is substituted at positions 3 and 6 by beta-D-GlcNAc-(1->2)-alpha-D-Man groups. It is also related to or classified as glucosamine oligosaccharide , amino octasaccharide , oligosaccharide derivative .