anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Clc1cc(Cl)c(Cl)c(-c2ccccc2)c1Cl Clc1cc(Cl)c(Cl)c(-c2ccccc2)c1Cl is A tetrachlorobiphenyl that is biphenyl in which one of the phenyl groups is substituted by chlorines at positions 2, 3, 5, and 6. It is also related to or classified as tetrachlorobenzene  . It is also related to or classified as tetrachlorobiphenyl .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC(=O)[O-] is a tetracosahexaenoate that is the conjugate base of (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoic acid.
The molecule N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is trehalosamine. It is also related to or classified as amino disaccharide , glycosyl glycoside derivative .
The molecule CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)NC is an N-sulfonylurea that is urea in which one of the nitrogens has been substituted by a 4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl group, while the other has been substituted by a (2-carboxyphenyl)sulfonyl group. It has a role as a herbicide. It is a N-sulfonylurea, a member of benzoic acids, an aromatic ether and a diamino-1,3,5-triazine.
The molecule C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H](C(=O)[C@@H]([C@H](O3)CO)O)O)O)O is a nucleotide-sugar oxoanion resulting from the removal of two protons from the diphosphate group of UDP-3-keto-alpha-D-glucose It is a conjugate base of an UDP-3-keto-alpha-D-glucose.
The molecule OC(CCCCCCCCC)CCCCCCCC(=O)O OC(CCCCCCCCC)CCCCCCCC(=O)O is A hydroxyoctadecanoic acid that is octadecanoic acid (stearic acid) which has been substituted by a hydroxy group at position 9. It is a conjugate acid of 9-hydroxyoctadecanoate . It is also related to or classified as hydroxyoctadecanoic acid .
The molecule CCCC#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)S(=O)(=O)C4=CC=CC=C4C CCCC#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)S(=O)(=O)C4=CC=CC=C4C is (6S,7S,8S)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC(=CCC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)C is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of nerylneryl diphosphate; major species at pH 7.3. It is a conjugate base of a nerylneryl diphosphate.
The molecule COc1cc2ccncc2cc1OC COc1cc2ccncc2cc1OC is A member of the class of isoquinolines carrying two methoxy substituents at positions 6 and 7. It has the role of plant metabolite . It is also related to or classified as isoquinoline alkaloid , isoquinolines .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@@H]1O CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@@H]1O is A sulfated linear amino tetrasaccharide consisting of D-glucose at the reducing end with a 3-O-sulfo-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl moiety attached at the 4-position. It is also related to or classified as amino tetrasaccharide .
The molecule COC1=CC=C(C=C1)C2CC(=O)C3=C(C(=C(C=C3O2)OC)O)OC is a methoxyflavanone that is flavanone substituted by methoxy groups at positions 5, 7 and 4' and a hydroxy group at position 6. It is a monohydroxyflavanone and a member of 4'-methoxyflavanones. It derives from a flavanone.
The molecule NC(=O)OP([O-])([O-])=O NC(=O)OP([O-])([O-])=O is A doubly-charged organophosphate oxoanion arising from deprotonation of the phosphate OH groups of carbamoyl phosphate; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule COC1=C(OC(C)=O)C(=NC=C1)C(=O)N[C@@H](C)C(=O)O[C@@H](C)C(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1 COC1=C(OC(C)=O)C(=NC=C1)C(=O)N[C@@H](C)C(=O)O[C@@H](C)C(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1 is A carboxylic ester resulting from the formal condensation of the carboxy group of N-{[3-(acetyloxy)-4-methoxypyridin-2-yl]carbonyl}-L-alanine with the hydroxy group of (2S)-1,1-bis(4-fluorophenyl)propan-2-ol. It is a fungicide introduced by Dow AgroSciences for the control of a wide variety of pathogens such as Septoria spp, Powdery Mildews, Botrytis spp, and others in cereals, vines, fruits, nuts and vegetables. It has the role of fungicide . It has the role of agrochemical . It is also related to or classified as secondary carboxamide  .   It is also related to or classified as acetate ester  . It is also related to or classified as monofluorobenzenes  .  It is also related to or classified as carboxylic ester  . It is also related to or classified as pyridinecarboxamide , aromatic ether , L-alanine derivative .
The molecule C[C@@]1([C@@H]2C[C@@H]3CC[C@@]2(C=CC1=O)[C@H](C3=C)O)CCC(=O)NC4=C(C=CC(=C4O)C(=O)O)O is a polycyclic cage that is the 4-hydroxy derivative of platencin. It is isolated from Streptomyces platensis. It has a role as a bacterial metabolite. It is a cyclic ketone, a dihydroxybenzoic acid, a polycyclic cage, a secondary alcohol, an aromatic amide and a monocarboxylic acid amide. It derives from a platencin.
The molecule OC(CCCCCCCCC)CCCCCCCC(=O)[O-] OC(CCCCCCCCC)CCCCCCCC(=O)[O-] is A hydroxy saturated fatty acid anion that is the conjugate base of 9-hydroxydecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy saturated fatty acid anion .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3 is 1-[(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]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)O)O[C@H]4[C@@H]([C@H](O[C@@H]([C@H]4O)O[C@@H]5[C@@H]([C@H](O[C@@H]([C@H]5O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)[C@H](CO)O)O[C@@H]7[C@@H](C[C@@](O[C@@H]7[C@@H](CO[C@@H]8[C@@H]([C@H]([C@H](CO8)N)O)O)O)(C(=O)O)O)O[C@@]9(C[C@H]([C@H]([C@H](O9)[C@@H](CO)O)O)O)C(=O)O)O)[C@H](CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O)O)N)O)O)O)O)OP(=O)(O)OCCN)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@@H](CO)O)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O)O)CO)CO)O)O is an oligosaccharide derivative that is a tridecasaccharide derivative, the oligosaccharide portion of the Proteus penneri strain 12 lipopolysaccharide (LPS) core region. The 2-amino-2-deoxy-beta-D-galacturonic acid (beta-D-GalAN) residue may or may not be present.
The molecule COC1=C(C=CC(F)=C1)C1=CC(NC2=NC=CC(CS(C)(=N)=O)=C2)=NC=C1F COC1=C(C=CC(F)=C1)C1=CC(NC2=NC=CC(CS(C)(=N)=O)=C2)=NC=C1F is A member of the class of aminopyridines that is pyridine substituted by {4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl}amino, 4-fluoro-2-methoxyphenyl, and fluoro groups at positions 2, 4, and 5, respectively. It is an inhibitor of cyclin-dependent kinase 9 that exhibits antineoplastic activity. 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 sulfoximide  .   It is also related to or classified as monofluorobenzenes  . It is also related to or classified as monomethoxybenzene , aminopyridine , biaryl .
The molecule S(C[C@H]1C[C@]2([C@](N(C1)CCC)(CC=3C4=C2C=CC=C4NC3)[H])[H])C.S(O)(=O)(=O)C S(C[C@H]1C[C@]2([C@](N(C1)CCC)(CC=3C4=C2C=CC=C4NC3)[H])[H])C.S(O)(=O)(=O)C is (6Ar,9S,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid. It is also related to or classified as organonitrogen heterocyclic compound , organic heterotetracyclic compound .
The molecule CCCCCCCC/C=C\\C/C=C\\C/C=C\\CCCC(=O)O is an icosatrienoic acid with three cis-double bonds at positions 5, 8 and 11. It is a conjugate acid of a (5Z,8Z,11Z)-icosatrienoate.
The molecule OC(=O)CCCCCC\C=C\CCCCCCCCCCCCCCCCCCCCCCC OC(=O)CCCCCC\C=C\CCCCCCCCCCCCCCCCCCCCCCC is 8-Dotriacontenoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule C1[C@](C(=O)N1)(CC[C@@H](C(=O)O)N)O C1[C@](C(=O)N1)(CC[C@@H](C(=O)O)N)O is A L-alpha-amino acid with a 3-hydroxy-2-oxoazetidin-propyl side chain. It is a monobactam antibiotic derived from tabtoxin with an inhibitory effect over glutamine synthetase. It has the role of EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor . It has the role of apoptosis inducer . It has the role of bacterial metabolite . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as monobactam , non-proteinogenic L-alpha-amino acid , beta-lactam antibiotic .
The molecule [Ti+4].CC([O-])C.CC([O-])C.CC([O-])C.CC([O-])C [Ti+4].CC([O-])C.CC([O-])C.CC([O-])C.CC([O-])C is A titanium coordination entity consisting of a titanium(IV) cation with four propan-2-olate anions as counterions. It is also related to or classified as titanium coordination entity .
The molecule [OH-].[OH-].[OH-].[OH-].[O-][Si](=O)O[Si](=O)[O-].[Al+3].[Al+3] is an aluminosilicate mineral with approximate chemical composition H2Al2Si2O8.H2O. Rocks that are rich in kaolinite are known as kaolin or china clay.
The molecule [O-][Cr]([O-])(=O)=O [O-][Cr]([O-])(=O)=O is A chromium oxoanion resulting from the removal of two protons from chromic acid. It has the role of oxidising agent . It is also related to or classified as chromium oxoanion , divalent inorganic anion .
The molecule C[C@]1(CCC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)[O-])CO)C(=O)[O-] is a dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A44 (diacid form). It is a gibberellin carboxylic acid anion and a dicarboxylic acid dianion. It is a conjugate base of a gibberellin A44 diacid.
The molecule CC(CCCCCCCCC/C=C/C([O-])=O)C CC(CCCCCCCCC/C=C/C([O-])=O)C is (2E)-isopentadecenoate(1-).  It is also related to or classified as monounsaturated fatty acid anion  . It is also related to or classified as methyl-branched fatty acid anion .
The molecule CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC is a 1,2-diacyl-sn-glycero-3-phosphate in which the acyl groups at positions 1 and 2 are specified as hexanoyl. It is a 1,2-diacyl-sn-glycerol 3-phosphate and a hexanoate ester.
The molecule C[C@@H](C(=O)N[C@@H](CO)C(=O)O)N is a dipeptide composed of L-alanine and L-serine joined by a peptide linkage. It has a role as a metabolite. It derives from a L-alanine and a L-serine.
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl is 1-[(3S,9S,10R)-9-[[(4-chlorophenyl)sulfonyl-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]-3-(3,5-dimethyl-4-isoxazolyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [Cl-].C[NH+](C)CCOC(c1ccccc1)c1ccccc1 [Cl-].C[NH+](C)CCOC(c1ccccc1)c1ccccc1 is the hydrochloride salt of diphenhydramine. It has the role of sedative . It has the role of local anaesthetic . It has the role of H1-receptor antagonist . It has the role of antiparkinson drug . It has the role of muscarinic antagonist . It has the role of anti-allergic agent . It has the role of antiemetic . It has the role of antipruritic drug . It is also related to or classified as hydrochloride , organoammonium salt .
The molecule Cl[Pd--](Cl)(Cl)Cl Cl[Pd--](Cl)(Cl)Cl is A perchlorometallate anion having four chlorines and palladium(II) as the metal component. It is also related to or classified as perchlorometallate anion , palladium coordination entity .
The molecule CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C is a member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities. It has a role as an antineoplastic agent, an antimicrobial agent, an antioxidant and a plant metabolite. It is a member of xanthones, a member of phenols and an aromatic ether.
The molecule C(CCCCCC[C@H]1C(C[C@H]([C@@H]1CCC(CCCCC)=O)O)=O)(O)=O C(CCCCCC[C@H]1C(C[C@H]([C@@H]1CCC(CCCCC)=O)O)=O)(O)=O is A prostaglandin E obtained by formal oxidation of the 15-hydroxy group and hydrogenation of the 13,14-double bond of prostaglandin E1. It has the role of human xenobiotic metabolite . Its functional parent is prostaglandin E1 . It is a conjugate acid of 13,14-dihydro-15-oxoprostaglandin E1(1-) . It is also related to or classified as prostaglandins E  .
The molecule C[C@]1(CO1)C=C is an epoxide carrying methyl and vinyl substituents at position 2 (the R-enantiomer). It is an epoxide and an olefinic compound.
The molecule O1C(CC(=O)C=2C1=CC(OC)=CC2O)C=3C(O)=CC(OC)=C(OC)C3 O1C(CC(=O)C=2C1=CC(OC)=CC2O)C=3C(O)=CC(OC)=C(OC)C3 is 5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO is N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H]C(=CC1=CC(O)=C(O)C(OC)=C1)C(=O)NCCCN(CCCCNC(=O)C([H])=CC1=CC(OC)=C(O)C(O)=C1)C(=O)C([H])=CC1=CC(OC)=C(O)C(O)=C1 [H]C(=CC1=CC(O)=C(O)C(OC)=C1)C(=O)NCCCN(CCCCNC(=O)C([H])=CC1=CC(OC)=C(O)C(O)=C1)C(=O)C([H])=CC1=CC(OC)=C(O)C(O)=C1 is A spermidine hydroxycinnamic acid conjugate in which N-1, N-5 and N-10 of spermidine have formed amide bonds with a molecule each of 5-hydroxyferulic acid. Its functional parent is 5-hydroxyferulic acid . It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  .  It is also related to or classified as catechols  . It is also related to or classified as enamide  . It is also related to or classified as monomethoxybenzene , spermidine hydroxycinnamic acid conjugate .
The molecule [Na+].[Na+].[Pd-2](Cl)(Cl)(Cl)Cl [Na+].[Na+].[Pd-2](Cl)(Cl)(Cl)Cl is an inorganic sodium salt in which the counteranion is tetrachloropalladate(2-). It is also related to or classified as inorganic sodium salt .
The molecule CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NCCC[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC[C@H](CN)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)N is a glycopeptide that consists of (5R)-5-(beta-D-galactopyranosyloxy)lysyl, glycyl. alpha-glutamyl, glutaminyl, glycyl, prolyl, lysyl, glycyl, alpha-glutamyl and threonine residues coupled in sequence with an isostere-modified Ile-Ala-GlyPsi(CH2CH2)Phe tetrapeptoid unit attached to the amino terminus.
The molecule CCCCCCCC/C=C\\CCCCCCCCOC(=O)CCCCCCC/C=C\\CCCCCCCC is a wax ester obtained by the formal condensation of oleic acid and oleyl alcohol. It derives from an oleic acid and a (9Z)-octadecen-1-ol.
The molecule CN1N=C(C)C=C1NC1=NC=C2CN(C(=O)N(C)C2=N1)C1=C(C)C=CC(NC(=O)C2=CC(=CC=C2)C(F)(F)F)=C1 CN1N=C(C)C=C1NC1=NC=C2CN(C(=O)N(C)C2=N1)C1=C(C)C=CC(NC(=O)C2=CC(=CC=C2)C(F)(F)F)=C1 is A member of the class of pyrimidopyrimidines that is 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one substituted by methyl, 2-methyl-5-[3-(trifluoromethyl)benzamido]phenyl, and (1,3-dimethyl-1H-pyrazol-5-yl)amino group at positions 1, 3, and 7, respectively. It is a dual inhibitor of ERK1 and RasGAP. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor . It is also related to or classified as secondary carboxamide  . It is also related to or classified as benzamides , pyrazoles , toluenes , pyrimidopyrimidine , (trifluoromethyl)benzenes .
The molecule CCCCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)C)C)CC(C)C)C(C)C is an emericellamide derived from N-[(3S,4S)-3-hydroxy-4-methyldodecanoyl]glycyl-L-valyl-L-leucyl-L-alanyl-L-alanine by the formal intramolecular condensation of the alcoholic hydroxy group with the C-terminal carboxylic acid group.
The molecule O1C2C(C3(C(C4C(C5(C(CC4)CC(O)CC5)C)CC3)C2)C)C(C16N(N=O)CC(CC6)C)C O1C2C(C3(C(C4C(C5(C(CC4)CC(O)CC5)C)CC3)C2)C)C(C16N(N=O)CC(CC6)C)C is N-Nitrosotomatidine. It is also related to or classified as steroid  . It is also related to or classified as azaspiro compound , oxaspiro compound .
The molecule CCCC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CC(=O)N3[C@H]2CO)C(=O)NC4=CC(=CC=C4)F CCCC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CC(=O)N3[C@H]2CO)C(=O)NC4=CC(=CC=C4)F is (6S,7R,8R)-N-(3-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octane-4-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@@]12CCC3=C(C(=O)C=C([CH-]3)C(C)C)[C@@]1(C)CCCC2(C)C [H][C@@]12CCC3=C(C(=O)C=C([CH-]3)C(C)C)[C@@]1(C)CCCC2(C)C is an organic anion that is the conjugate base of 11-oxomiltiradiene, arising from the deprotonation of the methylene group at position 14. Major species at pH 7.3. It is also related to or classified as organic anion .
The molecule CC(C)C1=C/C=C(C)\CC\C=C(C)\CC\C=C(C)\CC\1 CC(C)C1=C/C=C(C)\CC\C=C(C)\CC\C=C(C)\CC\1 is A diterpene that is cyclotetradeca-1,3,7,11-tetraene which is substituted by methyl groups at positions 1, 7, and 11, and by an isopropyl group at position 4 (the 1Z,3E,7E,11E isomer). It is a constituent of the essential oils from Pinus koraiensis and Pinus sibirica. It has the role of plant metabolite .  It is also related to or classified as diterpene  . It is also related to or classified as macrocycle  . It is also related to or classified as monocyclic hydrocarbon .
The molecule C1=CC(=O)C2=C(C=CC3=C4C=CC(=O)C5=C(C=CC(=C45)C1C32)O)O is a perylene that consists of dihydroxyperylene-3,9-dione bering hydroxy groups at positions 4 and 10. It is a member of perylenes and a diketone.
The molecule C1=CC2=CON=C2C=C1 is a benzoxazole in which the benzene ring is fused to a 1,2-oxazole ring across positions 3 and 4. It is a member of 2,1-benzoxazoles and a mancude organic heterobicyclic parent.
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is A sulfated branched amino pentasaccharide consisting of D-glucose at the reducing end with an alpha-L-fucosyl-(1->4)-[3-O-sulfo-beta-D-galactosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl moiety attached at the 4-position. It is also related to or classified as amino pentasaccharide .
The molecule C[S@@](=O)C1=CC=CC=C1 is a (methylsulfinyl)benzene that has R configuration at the chiral sulfur. It is an enantiomer of a (S)-methyl phenyl sulfoxide.
The molecule [NH3+][C@@H](C\C(C=O)=C\C=C(\O)C([O-])=O)C([O-])=O [NH3+][C@@H](C\C(C=O)=C\C=C(\O)C([O-])=O)C([O-])=O is an alpha-amino-acid anion that is the conjugate base of 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde, having anionic carboxy gropus and a cationic amino group; major species at pH 7.3. It is also related to or classified as alpha-amino-acid anion .
The molecule CCCCCCCCCCCCCCCCCCCCCCC/C=C/C(=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 an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of trans-2-hexacosenoyl-CoA. It is a monounsaturated fatty acyl-CoA(4-) and a 2,3-trans-enoyl CoA(4-). It is a conjugate base of a trans-2-hexacosenoyl-CoA.
The molecule C(\CCCCCCCC(=O)OC(CCCCCCCC(=O)O)CCCCCCCCC)=C\CCCCCCCC C(\CCCCCCCC(=O)OC(CCCCCCCC(=O)O)CCCCCCCCC)=C\CCCCCCCC is A fatty acid ester obtained by formal condensation of the carboxy group of oleic acid with the hydroxy group of 9-hydroxyoctadecanoic acid. Its functional parent is 9-hydroxyoctadecanoic acid . Its functional parent is oleic acid . It is a conjugate acid of 9-[(9Z)-octadecenoyloxy]octadecanoate .  It is also related to or classified as fatty acid ester  . It is also related to or classified as monocarboxylic acid .
The molecule COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.[Cl-].[Cl-] is an organic chloride salt having nitro blue tetrazolium(2+) as the counterion. It contains a nitro blue tetrazolium(2+).
The molecule CC(=C)C(=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 tetraanion of methacrylyl-CoA arising from deprotonation of the phosphate and diphosphate functions; principal microspecies at pH 7.3. It is a conjugate base of a methacrylyl-CoA.
The molecule OC(C(C(O)/C(=C/C(C(=O)CCCC(CC(=O)N)CC(O)=O)C)/C)C)C(OC)/C=C/CC/C=C/C(OC)=O OC(C(C(O)/C(=C/C(C(=O)CCCC(CC(=O)N)CC(O)=O)C)/C)C)C(OC)/C=C/CC/C=C/C(OC)=O is (9E,15E,19E)-3-(2-Amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acid. It is also related to or classified as hydroxy fatty acid , polyunsaturated fatty acid .
The molecule C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CC2=CN=CN2)C(=O)O)N)O is a dipeptide formed from L-tyrosine and L-histidine residues. It has a role as a metabolite. It derives from a L-tyrosine and a L-histidine.
The molecule C(C(=O)[O-])P(=O)(O)[O-] is a monocarboxylic acid anion that is the dianion of phosphonoacetic acid arising from deprotonation of the carboxylic acid and partial depronation of the phosphate. It is a conjugate base of a phosphonoacetic acid.
The molecule CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O is an octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. It has a role as a plant metabolite, a Daphnia galeata metabolite and an algal metabolite. It is an omega-6 fatty acid and an octadecadienoic acid. It is a conjugate acid of a linoleate.
The molecule C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H]([C@@H]1O)N(C)C C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H]([C@@H]1O)N(C)C is A dTDP-sugar having 3,6-dideoxy-3-dimethylamino-alpha-D-glucose (alpha-D-mycaminose) as the sugar component. Its functional parent is dTDP-D-glucose . It is a conjugate acid of dTDP-alpha-D-mycaminose(1-) . It is also related to or classified as dTDP-sugar  .
The molecule OC(=O)c1cccc2ccccc12 OC(=O)c1cccc2ccccc12 is A naphthoic acid carrying a carboxy group at position 1. It has the role of fungal xenobiotic metabolite . It has the role of bacterial xenobiotic metabolite . It is a conjugate acid of 1-naphthoate . It is also related to or classified as naphthoic acid .