anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [C@H]1(O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]1O)O)O)OC=2C=CC(=CC2OC)/C=C/C(=O)[O-] [C@H]1(O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]1O)O)O)OC=2C=CC(=CC2OC)/C=C/C(=O)[O-] is major species at pH 7.3. It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monocarboxylic acid anion  .
The molecule CC(C)=CCC/C(/C)=C/CCC([C@]1(CCC2(C)[C@@]3(CC[C@H](C)[C@@]3([C@@]12[H])[H])[H])[H])=C CC(C)=CCC/C(/C)=C/CCC([C@]1(CCC2(C)[C@@]3(CC[C@H](C)[C@@]3([C@@]12[H])[H])[H])[H])=C is A sesterterpene that is produced by a multifunctional terpene synthase from Streptomyces xinghaiensis. It has the role of bacterial metabolite . It is also related to or classified as sesterterpene  . It is also related to or classified as polycyclic olefin , organic tricyclic compound .
The molecule [C@]12([C@@]3([C@@]([C@@]4(CC[C@@H]5C[C@@]4([C@H]3C(=O)O)[C@@H](C5=C)O)[H])(OC1=O)CCC2)[H])C [C@]12([C@@]3([C@@]([C@@]4(CC[C@@H]5C[C@@]4([C@H]3C(=O)O)[C@@H](C5=C)O)[H])(OC1=O)CCC2)[H])C is A C19-gibberellin, initially identified in Pyrus communis. It differs from gibberellin A1 in the absence of OH groups at C-2 and -7 and the presence of a beta-OH at C-9 (all gibbane numbering).  It is also related to or classified as lactone  . It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule CC(COCCOC(C)COCC(C)N)N is a diamine in which two primary amino groups are at either end of what is essentially a poly(ethylene glycol) (PEG)backbone, consisting of blocks of ethylene oxide and propylene oxide. In the diagram, m ~ 39,; (l + n) ~ 6. The compound is one of a series of related compounds commonly used to crystallise proteins. It has a role as a crystallisation adjutant. It is a jeffamine diamine, a diamine and a polyether.
The molecule CC(C)[C@@H]1CC[C@]2([C@@H](CC[C@]([C@@H]2[C@H]1O)(C)O)O)C is a eudesmane sesquiterpenoid that is eudesmane carrying three hydroxy substituents at positions 1, 4 and 6. It has a role as a plant metabolite. It is a eudesmane sesquiterpenoid and a triol.
The molecule COC(=O)CC(=O)C(O)=O COC(=O)CC(=O)C(O)=O is A dicarboxylic acid monoester comprising succinic acid having an oxo group at the 2-position and the methyl ester at the 4-position. Its functional parent is oxaloacetic acid . It is a conjugate acid of oxaloacetate 4-methyl ester . It is also related to or classified as dicarboxylic acid monoester .
The molecule C=1C=2NC=C(C2C(=CC1)O)CC[NH3+] C=1C=2NC=C(C2C(=CC1)O)CC[NH3+] is an organic cation resulting from the protonation of the primary amino group of 4-hydroxytryptamine. The major species at pH 7.3. It is a conjugate acid of 4-hydroxytryptamine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule [H][C@]1(CC[C@]1([H])C1=CC=CC=C1)C1=CC=CC=C1 [H][C@]1(CC[C@]1([H])C1=CC=CC=C1)C1=CC=CC=C1 is A 1,2-diphenylcyclobutane that has cis-configuration. It is also related to or classified as 1,2-diphenylcyclobutane  .
The molecule O=C(NCC1=CC(OC)=C(O)C=C1)CCCCCCC/C=C\CCCCCCCC O=C(NCC1=CC(OC)=C(O)C=C1)CCCCCCC/C=C\CCCCCCCC is N-Vanillyloleamide. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C is 1-(3-fluorophenyl)-3-[(5R,6R,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]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(C(=O)C(=O)[O-])S(=O)(=O)[O-] is an organosulfonate oxoanion and 2-oxo monocarboxylic acid anion that is obtained from 3-sulfopyruvic acid by deprotonation of the carboxylic acid and sulfonic acid groups; major species at pH 7.3. It has a role as a human metabolite. It is a 2-oxo monocarboxylic acid anion and an alkanesulfonate oxoanion. It is a conjugate base of a 3-sulfopyruvic acid.
The molecule [C@]12([C@@]3([C@@]([C@@]4(CC[C@@H]5C[C@@]4([C@H]3C(=O)O)CC5=C)[H])(OC1=O)[C@@H](CC2)O)[H])C [C@]12([C@@]3([C@@]([C@@]4(CC[C@@H]5C[C@@]4([C@H]3C(=O)O)CC5=C)[H])(OC1=O)[C@@H](CC2)O)[H])C is A C19-gibberellin, initially identified in Triticum aestivum; it differs from gibberellin A1 in the absence of OH groups at C-2 and C-7 (gibbane numberings).  It is also related to or classified as lactone  . It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule C1(C(=O)NC(=O)NC1=O)O is a member of the class of barbiturates that is barbituric acid in which a hydrogen attached to a ring carbon is replaced by a hydroxy group. It derives from a barbituric acid. It is a conjugate acid of a dialurate.
The molecule CCNc1cc2oc3cc(=[NH+]CC)c(C)cc3c(CCC(O)=O)c2cc1C CCNc1cc2oc3cc(=[NH+]CC)c(C)cc3c(CCC(O)=O)c2cc1C is the cationic form of a fluorescent dye derived from a 3,6-bis(ethylamino)xanthene. It has the role of fluorochrome . It is also related to or classified as monocarboxylic acid , xanthene dye .
The molecule C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N is a dipeptide formed from two L-phenylalanine residues. It has a role as a human blood serum metabolite and a Mycoplasma genitalium metabolite. It derives from a L-phenylalanine.
The molecule [O-]Cl(=O)(=O)=O.CCN1CCCc2cc3c(Oc4cc5=[N+](CC)CCCc5cc4=C3c3ccc(cc3C(O)=O)C(O)=O)cc12 [O-]Cl(=O)(=O)=O.CCN1CCCc2cc3c(Oc4cc5=[N+](CC)CCCc5cc4=C3c3ccc(cc3C(O)=O)C(O)=O)cc12 is ATTO 565 meta-isomer. It has the role of fluorochrome . It is also related to or classified as ATTO 565 .
The molecule O=C1C(=O)C(OC)=CC=2C1=C(O)C3=C(C=C(C(CC(CC)C)C)OC3)C2 O=C1C(=O)C(OC)=CC=2C1=C(O)C3=C(C=C(C(CC(CC)C)C)OC3)C2 is Obionin A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule c1ccc2ncncc2c1 c1ccc2ncncc2c1 is A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms. It is also related to or classified as mancude organic heterobicyclic parent , quinazolines , azaarene , ortho-fused heteroarene .
The molecule O1C2=C(C(C[C@]1(C3=CC=CC=C3)O)=O)C(=CC(=C2)O)O O1C2=C(C(C[C@]1(C3=CC=CC=C3)O)=O)C(=CC(=C2)O)O is A 2,5,7-trihydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one that has (S) configuration. Its functional parent is pinocembrin . It is also related to or classified as 2,5,7-trihydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one  .
The molecule CC1=NC=C(C(=C1O)C=O)CO.Cl is a hydrochloride obtained by combining pyridoxal with one molar equivalent of hydrochloric acid. It has a role as an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite, a cofactor, a human metabolite and a mouse metabolite. It is a hydrochloride and a pyridinium salt. It contains a pyridoxal(1+).
The molecule OC(=O)CCCCCCCCC=C OC(=O)CCCCCCCCC=C is an undecenoic acid having its double bond in the 10-position. It is derived from castor oil and is used for the treatment of skin problems. It has the role of plant metabolite . It has the role of antifungal drug . It is a conjugate acid of 10-undecenoate . It is also related to or classified as undecenoic acid .
The molecule CCC(C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)O)NC(=O)CNC(=O)[C@H](CC3=CNC4=CC=CC=C43)N is a pentapeptide comprising L-tryptophan, glycine, L-isoleucine, and two L-histidine residues coupled in sequence by peptide linkages. It has a role as an epitope.
The molecule CC=CC1=CC=C(C=C1)[C@H]2[C@H](N(C23CN(C3)C(=O)NC4CCCCC4)C(=O)C)CO CC=CC1=CC=C(C=C1)[C@H]2[C@H](N(C23CN(C3)C(=O)NC4CCCCC4)C(=O)C)CO is LSM-41930. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=CC=N3 C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=CC=N3 is N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [Na+].[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C([O-])=O [Na+].[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C([O-])=O is the sodium salt of ceftizoxime. It is also related to or classified as organic sodium salt .
The molecule O=C(NCCCC(O)=O)CCCCCCC/C=C\C/C=C\CCCCC O=C(NCCCC(O)=O)CCCCCCC/C=C\C/C=C\CCCCC is N-Linoleoyl-4-Aminobutyric Acid. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C2=C(C(C[C@]1(C3=CC(=C(C=C3)O)O)O)=O)C(=CC(=C2)O)O O1C2=C(C(C[C@]1(C3=CC(=C(C=C3)O)O)O)=O)C(=CC(=C2)O)O is A 2-(3,4-dihydroxyphenyl)-2,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one that has (S) configuration. Its functional parent is eriodictyol . It is also related to or classified as 2-(3,4-dihydroxyphenyl)-2,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one  .
The molecule C[C@H]([C@@H]1CC[C@](OO1)(C)CC/C=C(\\C)/CCC(=O)C(C)(C)CCCC(=O)C)C(=O)O is a sesterterpenoid isolated from Red Sea sponge Diacarnus erythraeanus and has been shown to exhibit anti-HSV-1 activity. It has a role as a metabolite and an anti-HSV-1 agent. It is a sesterterpenoid, a terpene ketone, an organic peroxide, a methyl ketone and a dioxo monocarboxylic acid.
The molecule C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4 is a member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit. It has a role as an antineoplastic agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, an angiogenesis inhibitor and a vascular endothelial growth factor receptor antagonist. It is a member of phthalazines, a member of pyridines, a member of monochlorobenzenes and a secondary amino compound.
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)[C@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)[C@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl is N-[(3S,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]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]-2-thiophenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1NC(=C(C(=C1C#N)C)CC=C)C O=C1NC(=C(C(=C1C#N)C)CC=C)C is 5-allyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile. It is also related to or classified as nitrile  . It is also related to or classified as pyridines .
The molecule O1C(O)C=2C=3C(=C(C=CC3C=CC2)C4=CC=C(O)C=C4)C1=O O1C(O)C=2C=3C(=C(C=CC3C=CC2)C4=CC=C(O)C=C4)C1=O is 3-Hydroxy-9-(4-hydroxyphenyl)-1H,3H-benzo[de]isochromen-1-one. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule O1C2=C(C(C[C@]1(C3=CC=C(C=C3)O)O)=O)C(=CC(=C2)O)O O1C2=C(C(C[C@]1(C3=CC=C(C=C3)O)O)=O)C(=CC(=C2)O)O is A 2,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one that has (S) configuration. Its functional parent is (S)-naringenin . It is also related to or classified as 2,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one  .
The molecule O[Te](O)(O)([O-])([O-])[O-] is an orthotellurate ion. It is a conjugate base of an orthotellurate(2-). It is a conjugate acid of an orthotellurate(4-).
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=NC=C3 C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=NC=C3 is N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(pyridin-4-yl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@]12CC[C@]3(CCC(C[C@H]3C1=CC[C@H]4[C@]2(C[C@H]([C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)(C)C)C(=O)O is a pentacyclic triterpenoid that is oleanolic acid substituted by hydroxy groups at positions 2, 6 and 23. It has a role as an antifungal agent and a metabolite. It is a pentacyclic triterpenoid, a tetrol and a monocarboxylic acid. It derives from an oleanolic acid. It derives from a hydride of an oleanane.
The molecule [H][C@]12SCC(C[n+]3ccc(cc3)C(N)=O)=C(N1C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)S(O)(=O)=O)C([O-])=O [H][C@]12SCC(C[n+]3ccc(cc3)C(N)=O)=C(N1C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)S(O)(=O)=O)C([O-])=O is A pyridinium-substituted semi-synthetic, broad-spectrum, cephalosporin antibiotic. It has the role of antibacterial drug . It is also related to or classified as primary carboxamide  . It is also related to or classified as cephalosporin  . It is also related to or classified as organosulfonic acid  .
The molecule [O-]C(=O)[C@H]1COP([O-])(=O)OP([O-])(=O)O1 [O-]C(=O)[C@H]1COP([O-])(=O)OP([O-])(=O)O1 is an organophosphate oxoanion arising from deprotonation of the phosphate and carboxy groups of cyclic 2,3-bisphospho-D-glyceric acid; 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 organophosphate oxoanion .
The molecule C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC is LSM-12303. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O(CCCNC(N)=N)B1OCCO1 O(CCCNC(N)=N)B1OCCO1 is A member of the class of guanidines obtained by replacement of one of the amino hydrogens of guanidine itself by a (1,3,2-dioxaborolan-2-yl)oxypropyl group. It is also related to or classified as guanidines , 1,3,2-dioxaborolane .
The molecule O(C1C(O)C(O)C(OC1OC2=C3C(OC=C(C3=O)C4=CC(OC)=C(OC)C=C4)=C(C(OC)=C2)C)CO)C5OC(C(O)C(O)C5O)C O(C1C(O)C(O)C(OC1OC2=C3C(OC=C(C3=O)C4=CC(OC)=C(OC)C=C4)=C(C(OC)=C2)C)CO)C5OC(C(O)C(O)C5O)C is 5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule COC1=CC=CC2=C1C(=O)C3=C(C=C4C(=C3O2)[C@@H]5CCO[C@@H]5O4)OC is a sterigmatocystin that is the 8-O-methyl derivative of dihydrosterigmatocystin. It has a role as a metabolite. It is a member of sterigmatocystins and a cyclic acetal. It derives from a dihydrosterigmatocystin.
The molecule CCCCC\C=C/C[C@@H](O)[C@H](O)C(O)\C=C/C\C=C/CCCC(O)=O CCCCC\C=C/C[C@@H](O)[C@H](O)C(O)\C=C/C\C=C/CCCC(O)=O is A trioxilin having (all-cis 5,8,14) double bond configuration; and 10-, (11S)- and (12R)-hydroxy substituents. Its functional parent is all-cis-icosa-5,8,14-trienoic acid . It is a conjugate acid of trioxilin B3(1-) . It is also related to or classified as trioxilin .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C is N-[(5S,6S,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-fluorobenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(C[C@@H]([C@@H](C(=O)[O-])[NH3+])O)C[NH3+] is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino groups of (3S)-3-hydroxy-L-lysine: major species at pH 7.3. It is a conjugate acid of a (3S)-3-hydroxy-L-lysine.
The molecule S(C(CCCCCCC[C@@H]1[C@@H](C(C=C1)=O)C/C=C\CC)=O)CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O S(C(CCCCCCC[C@@H]1[C@@H](C(C=C1)=O)C/C=C\CC)=O)CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O is an oxo fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of (15Z)-12-oxophyto-10,15-dienoic acid. Its functional parent is (15Z)-12-oxophyto-10,15-dienoic acid . It is a conjugate acid of (15Z)-12-oxophyto-10,15-dienoyl-CoA(4-) . It is also related to or classified as unsaturated fatty acyl-CoA , oxo-fatty acyl-CoA .
The molecule CCCCCCCCC1CCCC1CCCCCCC CCCCCCCCC1CCCC1CCCCCCC is 1-heptyl-2-octylcyclopentane. It is also related to or classified as cycloalkane  . It is also related to or classified as cyclopentanes .
The molecule CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@@H]([C@@H]2CO)C3=CC=C(C=C3)C#CC4=CC=CC=N4 CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@@H]([C@@H]2CO)C3=CC=C(C=C3)C#CC4=CC=CC=N4 is [(8S,9S,10R)-6-ethylsulfonyl-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4=CN=CC=C4 C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4=CN=CC=C4 is 3-fluoro-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-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 O=C1C(\C(=C/2\N=C(C(C2CCC(O)=O)C)CC3NC(=O)C(=C3C)C=C)\C=4NC(=C(C41)C)CC=5NC(=C(C5CC)C)C=O)C(OC)=O O=C1C(\C(=C/2\N=C(C(C2CCC(O)=O)C)CC3NC(=O)C(=C3C)C=C)\C=4NC(=C(C41)C)CC=5NC(=C(C5CC)C)C=O)C(OC)=O is Capsicum annuum Fluorescent chlorophyll catabolite. It is also related to or classified as tetrapyrrole  .
The molecule C=1C(=CC=CC1)C[C@H]2C(N[C@H](C(=O)N[C@@H]3C(N[C@H](C(NCC(N[C@H](C(=O)N[C@]4([H])[C@@H](SC[C@@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](C(N[C@@H]5C(N[C@H](C(N[C@H](C(NCC(N6[C@H](C(N[C@H](C(N[C@@H](C(N2)=O)[C@@H](SC5)C)=O)CC=7C=CC=CC7)=O)CCC6)=O)=O)CC=8C=CC=CC8)=O)CNCCCC[C@H](NC4=O)C(=O)O)=O)=O)CSC3)=O)=O)CCCNC(N)=N)=O)N)C)CC(N)=O)=O)=O)[C@@H](O)C(=O)O)=O)C(C)C)=O C=1C(=CC=CC1)C[C@H]2C(N[C@H](C(=O)N[C@@H]3C(N[C@H](C(NCC(N[C@H](C(=O)N[C@]4([H])[C@@H](SC[C@@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](C(N[C@@H]5C(N[C@H](C(N[C@H](C(NCC(N6[C@H](C(N[C@H](C(N[C@@H](C(N2)=O)[C@@H](SC5)C)=O)CC=7C=CC=CC7)=O)CCC6)=O)=O)CC=8C=CC=CC8)=O)CNCCCC[C@H](NC4=O)C(=O)O)=O)=O)CSC3)=O)=O)CCCNC(N)=N)=O)N)C)CC(N)=O)=O)=O)[C@@H](O)C(=O)O)=O)C(C)C)=O is A type B lantibiotic consisting of a 19 amino acid tetracyclic polypeptide produced by Streptomyces cinnamoneus.   It is also related to or classified as macrocycle  . It is also related to or classified as heterodetic cyclic peptide , L-cysteine thioether , type B lantibiotic .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O is a 1-acyl-sn-glycero-3-phosphoethanolamine in which the 1-acyl group is specified as oleoyl. It has a role as a human metabolite. It derives from an oleic acid. It is a tautomer of a 1-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion.
The molecule CC(=O)NCCC[NH2+]CCCC=O is conjugate acid of N-(3-acetamidopropyl)-4-aminobutanal arising from deprotonation of the secondary amino function. It is a conjugate acid of a N-(3-acetamidopropyl)-4-aminobutanal.
The molecule O=C(OC)CC=1C2=C(C=CC=C2)N(C1)C3OC(C(O)C(C3O)O)CO O=C(OC)CC=1C2=C(C=CC=C2)N(C1)C3OC(C(O)C(C3O)O)CO is methyl 1-(1-b-Glucopyranosyl)-1H-indole-3-acetate. It is also related to or classified as N-glycosyl compound  . It is also related to or classified as indoles .
The molecule Cn1c(N)nc2n(cnc2c1=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Cn1c(N)nc2n(cnc2c1=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O is guanosine substituted with a methyl group at position N-1. It has the role of metabolite . It is also related to or classified as methylguanosine .
The molecule CCC(CCCC(C)C)C(C)C CCC(CCCC(C)C)C(C)C is an alkane that is octane substituted by an ethyl group at position 3 and by methyl groups at positions 2 and 7. It is a urinary sex pheromone found in male mice. It has the role of pheromone . It has the role of mouse metabolite .  It is also related to or classified as alkane  . It is also related to or classified as volatile organic compound .
The molecule C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO is A hexitol that is 1-deoxy derivative of L-mannitol. It is also related to or classified as hexitol  .
The molecule [H]O[Mn](=O)(=O)O[H] [H]O[Mn](=O)(=O)O[H] is manganic acid. It is a conjugate acid of hydrogen manganate . It is also related to or classified as manganese oxoacid .
The molecule CC(C)C12CCC(C)(OO1)C=C2 CC(C)C12CCC(C)(OO1)C=C2 is A p-menthane monoterpenoid that is p-menth-2-ene with a peroxy group across position 1 to 4. It has the role of antinematodal drug . It has the role of antileishmanial agent . It has the role of plant metabolite . It is also related to or classified as p-menthane monoterpenoid , organic peroxide , organic heterobicyclic compound .
The molecule [C@]12([C@@]3([C@@]([C@@]4(CC[C@@]5(C[C@@]4([C@H]3C(=O)O)CC5=C)O)[H])(OC1=O)[C@@H](CC2)O)[H])C [C@]12([C@@]3([C@@]([C@@]4(CC[C@@]5(C[C@@]4([C@H]3C(=O)O)CC5=C)O)[H])(OC1=O)[C@@H](CC2)O)[H])C is A C19-gibberellin, initially identified in Triticum aestivum. It differs from gibberellin A1 in lacking a beta-OH at C-2 but possessing one at C-4 (gibbane numberings).  It is also related to or classified as lactone  . It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule C1=CC=C(C=C1)C(C2=CC=CC=C2)[S@@](=O)CC(=O)N is a 2-[(diphenylmethyl)sulfinyl]acetamide that has S configuration at the sulfur atom. The racemate comprising (S)-modafinil and its enantiomer, armodafinil, is known as modafinil and is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. The enantiomers have similar pharmacological actions in animals. It has a role as a central nervous system stimulant and a eugeroic. It is an enantiomer of an armodafinil.
The molecule COC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O is a cyclic beta-diketone consisting of indane-1,3-dione having a 4-methoxyphenyl substituent at the 4-position. It has a role as an anticoagulant and a vitamin K antagonist. It is a beta-diketone and an aromatic ketone. It derives from a hydride of an indane.
The molecule C1CC(C1)C(=O)NC[C@H]2[C@@H]([C@H](N2C(=O)CC3=CC=NC=C3)CO)C4=CC=CC=C4 C1CC(C1)C(=O)NC[C@H]2[C@@H]([C@H](N2C(=O)CC3=CC=NC=C3)CO)C4=CC=CC=C4 is N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-3-phenyl-2-azetidinyl]methyl]cyclobutanecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O=C1N2[C@@H](C(=O)N[C@@H]1CC3=CC=C(O)C=C3)CCC2 O=C1N2[C@@H](C(=O)N[C@@H]1CC3=CC=C(O)C=C3)CCC2 is Cyclo(D-Tyr-D-Pro). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule ClC1=C2C(N=CC=C2)=C3OC(=NC3=C1)C(OC)=O ClC1=C2C(N=CC=C2)=C3OC(=NC3=C1)C(OC)=O is quazolast.  It is also related to or classified as organochlorine compound  . It is also related to or classified as quinolines .
The molecule [Br-].CCCCCCCCCCCC[N+](C)(C)C [Br-].CCCCCCCCCCCC[N+](C)(C)C is A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen. It has the role of surfactant . It is also related to or classified as bromide salt , quaternary ammonium salt .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O[C@@H]2[C@@H]([C@H]([C@@H](O2)[C@@H](CO)O)O)O is an amino disaccharide consisting of alpha-D-glucofuranosyl and 2-acetamido-2-deoxy-beta-D-glucopyranose residues joined in sequence by a (1->3) glycosidic bond. It is an amino disaccharide and a member of acetamides. It derives from an alpha-D-galactofuranose and a N-acetyl-beta-D-glucosamine.
The molecule OP([O-])(=O)OP(O)([O-])=O OP([O-])(=O)OP(O)([O-])=O is A divalent inorganic anion obtained by removal of both protons from diphosphoric acid. It is a conjugate acid of diphosphate(3-) . It is also related to or classified as diphosphate ion , divalent inorganic anion .