anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+] is an organic sodium salt having 2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzene-1-sulfonate as the counterion. Used as a plasma stain in Masson's trichrome. It has a role as a histological dye. It contains a Biebrich scarlet(2-).
The molecule C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC)C(=O)N(C[C@H]1OC)C)C C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC)C(=O)N(C[C@H]1OC)C)C is 3-methoxy-N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1[C@H]2C(=O)C[C@]3([C@@](O2)([C@H]([C@H](O3)C)C(=O)OC)O[C@@H]1[C@H](C)/C=C(\\C)/C=C/C(=C\\4/C(=O)CNC4=O)/[O-])C is an organic anion resulting from the deprotonation of the enol moiety of nocamycin I. The major species at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a nocamycin I.
The molecule CC(=O)[C@@H](O)[C@H](O)CC(=O)C(O)=O CC(=O)[C@@H](O)[C@H](O)CC(=O)C(O)=O is the D-threo-isomer of a ketoaldonic acid compound. It is a conjugate acid of 3,7-dideoxy-D-threo-hepto-2,6-diuolosonate . It is also related to or classified as ketoaldonic acid .
The molecule O.O.O.O.O.[H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\c1csc(N)n1)C([O-])=O O.O.O.O.O.[H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\c1csc(N)n1)C([O-])=O is A hydrate that is the pentahydrate of ceftazidime, a cephalosporin having 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino and 3-pyridinium-1-ylmethyl side-groups. It is also related to or classified as hydrate .
The molecule O(C1=C(C(=CC(=C1C)O)CO)COC)C O(C1=C(C(=CC(=C1C)O)CO)COC)C is Maristachone B. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule O[C@H]1CC[NH2+][C@@H]1C([O-])=O O[C@H]1CC[NH2+][C@@H]1C([O-])=O is zwitterionic form of trans-3-hydroxy-L-proline resulting from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule [H][C@]1(CCCCCCC)CCC[C@]1([H])CCCCCCCC [H][C@]1(CCCCCCC)CCC[C@]1([H])CCCCCCCC is prostane.  It is also related to or classified as 1-heptyl-2-octylcyclopentane  . It is also related to or classified as natural product fundamental parent .
The molecule [O-][N+](=O)C1=CNC(Cl)=C1Cl [O-][N+](=O)C1=CNC(Cl)=C1Cl is A member of the class of pyrroles that is 1H-pyrrole which is substituted by chloro groups at positions 2 and 3 and by a nitro group  position 4. It is the simplest member of the pyrrolomycins, a family of natural products found in several species of the Streptomyces genus. The compound is active against Gram-positive and Gram-negative bacteria and some genera of fungi. It has the role of antibacterial agent . It has the role of bacterial metabolite .   It is also related to or classified as organochlorine compound  . It is also related to or classified as pyrroles , C-nitro compound , antibiotic antifungal agent .
The molecule CCCCCCCCCCC[C@@H](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)O is an acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of (S)-3-hydroxytetradecanoyl-CoA; major species at pH 7.3. It is a conjugate base of a (S)-3-hydroxytetradecanoyl-CoA.
The molecule C=C[C@H]([C@H]1[C@@H](O1)/C=C/[C@H]2[C@@H](O2)[C@@H](CO)O)O is a polyketide that is depudecin with a methyl hydrogen substituted with a hydroxy group. It has a role as a metabolite. It is a polyketide and an epoxide. It derives from a depudecin.
The molecule O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@](O)(CC4=C(O)C=CC=C4)N(C3=O)C)C)=CC=C1 O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@](O)(CC4=C(O)C=CC=C4)N(C3=O)C)C)=CC=C1 is O-thaxtomin A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O=C1C=2C(N(C=3C1=CC=CC3)C)=CC=CC2 O=C1C=2C(N(C=3C1=CC=CC3)C)=CC=CC2 is 10-Methyl-9(10H)-acridone. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4CCCCC4 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4CCCCC4 is N-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]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]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@H]1C)C)OC)C CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@H]1C)C)OC)C is N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(=O)CCCC(=O)Nc1ccc(cc1)\C=C\c1ccccc1 OC(=O)CCCC(=O)Nc1ccc(cc1)\C=C\c1ccccc1 is A dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxyl groups of glutaric acid with the amino group of 4-aminostilbene. It has the role of epitope . Its functional parent is glutaric acid . It is also related to or classified as monocarboxylic acid , dicarboxylic acid monoamide .
The molecule O1C(C1)(C2=C(OC(=O)C(C)C)C=C(C=C2)C)COC(=O)C(C)C O1C(C1)(C2=C(OC(=O)C(C)C)C=C(C=C2)C)COC(=O)C(C)C is Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule COC1=CC=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O is a hydroxyisoflavanone that is the 2,3-dihydro derivative of biochanin A. It has a role as an antifungal agent and a metabolite. It is a hydroxyisoflavanone and a methoxyisoflavanone. It derives from a biochanin A. It is a conjugate acid of a 2,3-dihydrobiochanin A(1-).
The molecule CN\\1C2=CC=CC=C2O/C1=C\\C3=CC=[N+](C4=CC=CC=C34)CCC[N+](C)(C)C.[I-].[I-] is an unsymmetrical C1 cyanine dye having 1,3-benzoxazol-2-yl and quinolinium-4-yl substituents. It has a role as a fluorochrome. It is an organic iodide salt, a cyanine dye and a quaternary ammonium salt. It contains a Yo-Pro-1(2+).
The molecule Oc1ccc(cc1\N=N\c1c(O)c2ccc(Nc3ncnc(Nc4ccc5c(O)c(\N=N\c6cc(ccc6O)S(O)(=O)=O)c(cc5c4S(O)(=O)=O)S(O)(=O)=O)n3)c(c2cc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O Oc1ccc(cc1\N=N\c1c(O)c2ccc(Nc3ncnc(Nc4ccc5c(O)c(\N=N\c6cc(ccc6O)S(O)(=O)=O)c(cc5c4S(O)(=O)=O)S(O)(=O)=O)n3)c(c2cc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O is A bis(azo) compound that consists of a 1,3,5-triazine core having two (5-hydroxy-1,3-disulfo-2naphthyl)amino groups at positions 2 and 6, each of which is further substituted with a 2-hydroxy-5-sulfophenylazo group. It is also related to or classified as azobenzenes  . It is also related to or classified as naphthalenesulfonic acid , diamino-1,3,5-triazine , bis(azo) compound .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1C(C)=CCCC1(C)C CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1C(C)=CCCC1(C)C is alpha-zeacarotene. It is also related to or classified as carotenoid  epsilon-end derivative  . It is also related to or classified as cyclic carotene .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(O)CC CCCCCCCCCCCCCCCCCCCCCCCC(O)CC is A secondary fatty alcohol that is hexacosane substituted by a hydroxy group at position 3. It has the role of plant metabolite . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as hexacosanol .
The molecule [H][C@]12CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@@]1([H])CO[C@@H]2c1cc(OC)c(O)c(OC)c1 [H][C@]12CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@@]1([H])CO[C@@H]2c1cc(OC)c(O)c(OC)c1 is the (7alpha,7'alpha,8alpha,8'alpha)-stereoisomer of syringaresinol. It has the role of antineoplastic agent . It is also related to or classified as syringaresinol  .
The molecule O([C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)OC2=CC=3OC(=O)C=C(C3C=C2)C)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO O([C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)OC2=CC=3OC(=O)C=C(C3C=C2)C)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO is 4-Methylumbelliferyl beta-D-cellobioside.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule C[C@H]1[C@@]2(O1)CC(=C)[C@@](C(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC2=O)(C)O is a pyrrolizine alkaloid that is seneciphylline in which the exocyclic double bond has been converted to the corresponding epoxide. It has a role as a Jacobaea metabolite. It is a macrocyclic lactone, an organic heterotricyclic compound, a pyrrolizine alkaloid, a spiro-epoxide, a tertiary alcohol and a tertiary amino compound. It derives from a seneciphylline.
The molecule C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CN=CN3 is a homodetic cyclic peptide resulting from the formal condensation of both the amino and acid groups of L-histidine with the acid and amino groups of L-proline. It is a metabolite of thyrotropin-releasing hormone (TRH). It has a role as a human blood serum metabolite, a dopamine uptake inhibitor and an anti-inflammatory agent. It is a homodetic cyclic peptide, a dipeptide, a pyrrolopyrazine and a member of imidazoles. It derives from a L-histidine and a L-proline.
The molecule C1CCC(C1)(C#CC2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CCCCN4[C@H]3CO)CC5=CN=CN=C5)O C1CCC(C1)(C#CC2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CCCCN4[C@H]3CO)CC5=CN=CN=C5)O is 1-[2-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@]12OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]([H])(C(COC(C)=O)=C1)[C@]23[H] [H][C@]12OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]([H])(C(COC(C)=O)=C1)[C@]23[H] is A iridoid monoterpenoid glycoside isolated from Galium verum. It has the role of metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as gamma-lactone  . It is also related to or classified as acetate ester  . It is also related to or classified as iridoid monoterpenoid , monosaccharide derivative .
The molecule CC[C@@H]1C[C@@H](C2=C(N1C(=O)OCC)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC is a member of quinolines, a carbamate ester and a member of (trifluoromethyl)benzenes. It has a role as an anticholesteremic drug and a CETP inhibitor.
The molecule C1=CC=C(C(=C1)C(=O)O)F is a 2-halobenzoic acid that is benzoic acid carrying a fluoro substituent at position 2. It is a fluorobenzoic acid and a 2-halobenzoic acid. It is a conjugate acid of a 2-fluorobenzoate.
The molecule O(C(C(OC(=O)C)COC(=O)C)C(OC(=O)C)C(=O)N)C(=O)C O(C(C(OC(=O)C)COC(=O)C)C(OC(=O)C)C(=O)N)C(=O)C is 2-(acetyloxy)-3-amino-1-[1,2-di(acetyloxy)ethyl]-3-oxopropyl acetate. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C(CCCCC[C@H]1[C@H](C(CC1)=O)C/C=C\CC)(O)=O C(CCCCC[C@H]1[C@H](C(CC1)=O)C/C=C\CC)(O)=O is A carbocyclic fatty acid that is hexanoic acid substituted at position 6 by a 3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl group. Its functional parent is hexanoic acid . It is a conjugate acid of (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoate . It is also related to or classified as monounsaturated fatty acid , carbocyclic fatty acid , cyclopentanones , oxo fatty acid .
The molecule ClC(Cl)=CC#CCCC(C(=O)OC)C(NC(=O)C)CCCC#CCC(Cl)Cl ClC(Cl)=CC#CCCC(C(=O)OC)C(NC(=O)C)CCCC#CCC(Cl)Cl is Taveuniamide D. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@](CC3)(C(N5C=6C(N=C5)=CC=CC6)=CC4)C)[H])(CC2)[H])[H])(CC1)C O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@](CC3)(C(N5C=6C(N=C5)=CC=CC6)=CC4)C)[H])(CC2)[H])[H])(CC1)C is Galeterone. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C1=CC=C2C(=C1)C(=CN2)CC=NO is an aldoxime resulting from the formal condensation of the aldehyde moiety of indol-3-ylacetaldehyde with hydroxylamine. It is a member of indoles and an aldoxime.
The molecule C1=CC=C(C=C1)C(=O)N is an aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides.
The molecule O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC(O)CCCC=CCC=CCC=CCC O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC(O)CCCC=CCC=CCC=CCC is (3S,7Z,10Z,13Z)-3-hydroxyhexadecatrienoyl-CoA(4-). It is also related to or classified as long-chain (3S)-hydroxy fatty acyl-CoA(4-)  . It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  .
The molecule C(C1C(=C(C2C(O1)NC3=C(N2)C(=O)NC(=N3)N)S)O)OP(=O)(O)O is an organic heterotricyclic compound consisting of a pyran ring fused to a pteridine ring system. It is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle.
The molecule O=C1C2(OC(=O)C(C2CC3C1COC(C3)CCC(C)C)C(=O)CCCCCCCCCCC)C O=C1C2(OC(=O)C(C2CC3C1COC(C3)CCC(C)C)C(=O)CCCCCCCCCCC)C is Hordeumflavin B. It is also related to or classified as ketone  . It is also related to or classified as carboxylic ester  .
The molecule C1=CC(=C(C=C1[C@@H]2[C@H](CC3=C(C=C(C=C3O2)O)O)OS(O)(=O)=O)O)OC C1=CC(=C(C=C1[C@@H]2[C@H](CC3=C(C=C(C=C3O2)O)O)OS(O)(=O)=O)O)OC is 4'-methylcatechin 3-sulfate. Its functional parent is catechin . It is also related to or classified as hydroxyflavan .
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)CC/C=C/C)=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)CC/C=C/C)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O is A fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-hex-4-enoic acid. Its functional parent is trans-hex-4-enoic acid . It is a conjugate acid of (E)-hex-4-enoyl-CoA(4-) . It is also related to or classified as monounsaturated fatty acyl-CoA , medium-chain fatty acyl-CoA .
The molecule O.[Ca++].CC([O-])=O.CC([O-])=O O.[Ca++].CC([O-])=O.CC([O-])=O is the monohydrate of calcium acetate. It has the role of chelator . It is also related to or classified as hydrate .
The molecule OC(C([O-])=O)c1ccccc1 OC(C([O-])=O)c1ccccc1 is mandelate. Its functional parent is acetate . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule CC1=CC[C@H](/C(=C/C=C(\\CCC2=C[C@@H](C1)OC2=O)/C(=C)C)/C)OC is a cembrane diterpenoid that is cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide substituted by a methoxy group at position 5. It has been isolated from the leaves of Croton gratissimus. It has a role as a metabolite. It is a cembrane diterpenoid, a diterpene lactone, a macrocycle and an ether.
The molecule CC(C)CCCC/C=C\\CCOS(=O)(=O)O is a sulfuric ester obtained by the formal condensation of (3Z)-9-methyldec-3-en-1-ol with sulfuric acid. It has a role as a Daphnia pulex metabolite and a kairomone. It is an organic sulfate and a sulfuric ester. It is a conjugate acid of a (3Z)-9-methyldec-3-en-1-yl sulfate.
The molecule O=C1O[C@H](OC)C2=C[C@H]3OC([C@@]4([C@H]3[C@@](C2=C1)(CCC4)C)C)=O O=C1O[C@H](OC)C2=C[C@H]3OC([C@@]4([C@H]3[C@@](C2=C1)(CCC4)C)C)=O is LL-Z 1271alpha. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule Cc1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O Cc1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O is A cyclic tetrapyrrole that consists of porphyrin bearing four methyl substituents at positions 3, 8, 13 and 17, two vinyl substituents at positions 7 and 12 and two 2-carboxyethyl substituents at positions 2 and 18. The parent of the class of protoporphyrins. It has the role of metabolite . It has the role of photosensitizing agent . It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of protoporphyrinate . It is a conjugate acid of protoporphyrin(2-) . It is also related to or classified as protoporphyrins .
The molecule C=1(C=C(C2=C(C1)[C@@]3(C=CC[C@@]3([C@@H](C4=CN=CC=C4)N2)[H])[H])F)F C=1(C=C(C2=C(C1)[C@@]3(C=CC[C@@]3([C@@H](C4=CN=CC=C4)N2)[H])[H])F)F is A 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline that has 3aS,4S,9bR configuration. It is also related to or classified as 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline  .
The molecule [O-]Cl(=O)(=O)=O.CCNc1cc2oc3cc(=[NH+]CC)c(C)cc3c(CCC(=O)NCCCCCNC(=O)CCCCC3SCC4NC(=O)NC34)c2cc1C [O-]Cl(=O)(=O)=O.CCNc1cc2oc3cc(=[NH+]CC)c(C)cc3c(CCC(=O)NCCCCCNC(=O)CCCCC3SCC4NC(=O)NC34)c2cc1C is ATTO 520-7. Its functional parent is ATTO 520-2 . It is also related to or classified as thiabicycloalkane .
The molecule C(C[NH+]1CCCC1)OC1=C2COC\C=C\COCC3=CC=CC(=C3)C3=CC=NC(NC(C=C1)=C2)=N3 C(C[NH+]1CCCC1)OC1=C2COC\C=C\COCC3=CC=CC(=C3)C3=CC=NC(NC(C=C1)=C2)=N3 is A tertiary ammonium ion that is the conjugate acid of pacritinib resulting from the protonation of the pyrrolidine nitrogen; Major species at pH 7.3. It is a conjugate acid of pacritinib . It is also related to or classified as tertiary ammonium ion  .
The molecule C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(=O)CCCCCCC/C=C\CCCCCCCC C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(=O)CCCCCCC/C=C\CCCCCCCC is S-oleoyl-4'-phosphopantetheine(2-). Its functional parent is oleate . It is also related to or classified as S-acyl-4'-phosphopantetheine(2-)  .
The molecule CCCC(=O)c1c(O)cc(OC)c(C)c1O CCCC(=O)c1c(O)cc(OC)c(C)c1O is Aspidinol. Its functional parent is phloroglucinol . It is also related to or classified as carboxylic ester  .
The molecule CC(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 is a methylbutanoyl-CoA is the S-isovaleryl derivative of coenzyme A. It has a role as a mouse metabolite. It derives from an isovaleric acid and a butyryl-CoA. It is a conjugate acid of an isovaleryl-CoA(4-).
The molecule [O-]Br is a monovalent inorganic anion obtained by deprotonation of hypobromous acid. It is a bromine oxoanion and a monovalent inorganic anion. It is a conjugate base of a hypobromous acid.
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)([O-])[O-])O)O)O is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#25-CoA; major species at pH 7.3. It is a conjugate base of an oscr#25-CoA.
The molecule C[C@H]1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1 C[C@H]1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1 is Zearalanone. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule C=1(C=C(C2=C(C1)[C@]3(C=CC[C@]3([C@H](C4=CN=CC=C4)N2)[H])[H])F)F C=1(C=C(C2=C(C1)[C@]3(C=CC[C@]3([C@H](C4=CN=CC=C4)N2)[H])[H])F)F is A 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline that has 3aR,4R,9bS configuration. It is also related to or classified as 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline  .
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C is 1-[(4S,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule ClC=1NC=2C3=C([C@@]4([C@](N(C[C@@H](C4)CC#N)C)(CC31)[H])[H])C=CC2 ClC=1NC=2C3=C([C@@]4([C@](N(C[C@@H](C4)CC#N)C)(CC31)[H])[H])C=CC2 is lergotrile. It is also related to or classified as organonitrogen heterocyclic compound , organic heterotetracyclic compound .
The molecule CCC(C(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] is a peptide anion that is the conjugate base of gamma-Glu-Abu, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3. It is a conjugate base of a gamma-Glu-Abu.
The molecule COC1=C(C=CC(=C1)/C=C\\C(=O)O[C@@H]([C@@H](C(=O)O)O)C(=O)O)O is a cinnamate ester obtained by formal condensation of the carboxy group of cis-ferulic acid with one of the hydroxy groups of D-tartaric acid. It has a role as a metabolite. It derives from a cis-ferulic acid and a D-tartaric acid. It is an enantiomer of a (2R,3R)-cis-fertaric acid.
The molecule CNC(=O)Oc1ccc(C)c(C)c1 CNC(=O)Oc1ccc(C)c(C)c1 is xylylcarb. It has the role of agrochemical . It has the role of carbamate insecticide . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 3,4-xylenol . Its functional parent is methylcarbamic acid . It is also related to or classified as carbamate ester .
The molecule C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-] is the alkene resulting from the formal Wittig olefination of benzophenone and 1,1-dimethyl-4-bromopiperidinium methylsulfate. A quaternary ammonium anticholinergic, it binds muscarinic acetycholine receptors and thereby decreases secretory excretion of stomach acids, saliva and sweat, It is used topically in the treatment of hyperhidorsis (excessive sweating). It has a role as a muscarinic antagonist, a parasympatholytic and a bronchodilator agent. It is a quaternary ammonium salt and a member of piperidines.
The molecule [H][C@]12SCC(C=CC)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](N)c1ccc(O)cc1)C(O)=O [H][C@]12SCC(C=CC)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](N)c1ccc(O)cc1)C(O)=O is A semisynthetic, second-generation cephalosporin, with prop-1-enyl and (R)-2-amino-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It is used to treat bronchitis as well as ear, skin and other bacterial infections. It has the role of antibacterial drug . It is also related to or classified as cephalosporin  . It is also related to or classified as semisynthetic derivative .
The molecule C=1(C=C(C2=C(C1)[C@@]3(C=CC[C@@]3([C@H](C4=CN=CC=C4)N2)[H])[H])F)F C=1(C=C(C2=C(C1)[C@@]3(C=CC[C@@]3([C@H](C4=CN=CC=C4)N2)[H])[H])F)F is A 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline that has 3aS,4R,9bR configuration. It is the most active stereoisomer of golgicide A. It has the role of cis-Golgi ArfGEF GBF inhibitor . It is also related to or classified as 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline  .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C is (4R,7S,8R)-8-methoxy-4,7,10-trimethyl-14-[(4-methylphenyl)sulfonylamino]-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@]1(C[C@@]2([H])NCCc3cc(O)c(OC)cc23)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC [H][C@]1(C[C@@]2([H])NCCc3cc(O)c(OC)cc23)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC is A pyridoisoquinoline comprising emetam having a hydroxy group at the 6'-position and methoxy substituents at the 7'-, 10- and 11-positions. It is also related to or classified as pyridoisoquinoline .