anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O1[C@@]23[C@@]4([C@@](CC1(O)CC4)(CC=C2[C@]56OCCN(C[C@@]5(C[C@H]3O)C(=CC6)[C@@H](O)C)C)[H])C O1[C@@]23[C@@]4([C@@](CC1(O)CC4)(CC=C2[C@]56OCCN(C[C@@]5(C[C@H]3O)C(=CC6)[C@@H](O)C)C)[H])C is (1R,5R,6S,11S,12R,14R)-22-[(1S)-1-Hydroxyethyl]-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-diene-9,12-diol.  It is also related to or classified as gitoxigenin  . It is also related to or classified as organonitrogen heterocyclic compound .
The molecule C(O)(=O)[C@H]([C@H]([C@H](C[C@H](CCCCCCCCCCCCCCCCCC)C)C)O)C C(O)(=O)[C@H]([C@H]([C@H](C[C@H](CCCCCCCCCCCCCCCCCC)C)C)O)C is Mycolipanolic acid (C27). It is also related to or classified as very long-chain fatty acid  .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=CC=C4 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=CC=C4 is N-[(3S,9S,10S)-9-[[benzenesulfonyl(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]-3,5-dimethyl-4-isoxazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O is a 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as decanoyl. It is a 1-acyl-sn-glycerol 3-phosphate and a decanoate ester. It is a conjugate acid of a 1-decanoyl-sn-glycero-3-phosphate(2-).
The molecule CC(CCCCCCCCCC(CC([O-])=O)=O)C CC(CCCCCCCCCC(CC([O-])=O)=O)C is 3-oxoisopentadecanoate(1-). It is also related to or classified as 3-oxo fatty acid anion  . It is also related to or classified as branched-chain fatty acid anion .
The molecule CC1=CC[C@H](CC1=O)C(C)C is a dihydrocarvone compound having the exocyclic isopropenyl double bond reduced and (R)-configuration. It has a role as an allergen.
The molecule CC(C)(C)CC(=O)O is a dimethylbutyric acid in which both methyl substituents are at C3; used as an intermediate in the synthesis of medicines and agricultural chemicals.
The molecule [Cl-].C[NH+]1CCC(CC1)OC(c1ccccc1)c1ccccc1 [Cl-].C[NH+]1CCC(CC1)OC(c1ccccc1)c1ccccc1 is the hydrochloride salt of diphenylpyraline. A sedating antihistamine, it is used as the hydrochloride for the symptomatic relief of allergic conditions including rhinitis and hay fever, and in pruritic skin disorders. It has the role of H1-receptor antagonist . It has the role of cholinergic antagonist . It is also related to or classified as hydrochloride .
The molecule CC(C)CC/C=C(\\C)/[C@@H]1[C@H](CC[C@H]([C@H]1OC)OC(=O)/C=C/C2=CC=C(C=C2)OC)C=O is an enoate ester obtained by formal condensation of the hydroxy function of (1R,2S,3S,4S)-4-formyl-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanol with the carboxy group of 4-methoxycinnamic acid. It has a role as an angiogenesis inhibitor. It is an enoate ester and an aldehyde. It derives from a fumagalone, a (1S,2S,3S)-3-methoxy-2-[(2E)-6-methylhept-2-en-2-yl]-4-oxocyclohexanecarbaldehyde and a 4-methoxycinnamic acid.
The molecule [Cl-].CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=C(N)N=C(C)N=C1 [Cl-].CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=C(N)N=C(C)N=C1 is an organic chloride salt of thiamine(1+) diphosphate. It is also related to or classified as vitamin B1 , organic chloride salt .
The molecule [C@@]1([C@@H](C)CC[C@]2([C@@]1([H])CCC=C2C)C)(CCC(C=C)(OC)C)C [C@@]1([C@@H](C)CC[C@]2([C@@]1([H])CCC=C2C)C)(CCC(C=C)(OC)C)C is A diterpenoid that is (+)-kolavelool in which the tertiary hydroxy hydrogen has been replaced by a methyl group. It has the role of bacterial metabolite . Its functional parent is (+)-kolavelool .  It is also related to or classified as diterpenoid  . It is also related to or classified as ether  . It is also related to or classified as octahydronaphthalenes .
The molecule C1C(OC2=C(C(=C(C(=C2C1=O)O)C(/C=C/CCCC(=O)O)C3=CC=CC=C3)O)C(/C=C/CCCC(=O)O)C4=CC=CC=C4)C5=CC=CC=C5 is a dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and 6-carboxy-1-phenylhex-2-en-1-yl groups at positions 6 and 8 respectively. It has been isolated as a racemate from the bark of Cryptocarya chartacea and exhibits inhibitory activity against dengue virus NS5 polymerase. It has a role as a plant metabolite and an antiviral agent. It is a dihydroxyflavanone and a dicarboxylic acid.
The molecule [O-]O[C]=O [O-]O[C]=O is (dioxido)oxidocarbonate(.1-). It is also related to or classified as carbon oxoanion , organic radical anion .
The molecule CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F is an acetate salt obtained by combining flecainide with one molar equivalent of acetic acid. An antiarrhythmic agent used to prevent and treat tachyarrhythmia (abnormal fast rhythm of the heart). It has a role as an anti-arrhythmia drug. It contains a flecainide(1+).
The molecule C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2O)O)O is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2', 4' and 6' respectively. It has a role as a plant metabolite and an antifungal agent. It derives from a trans-chalcone.
The molecule O[C@]12[C@@]([C@@]3([C@@](CC1)(CC4=C3NC5=C4C=C6C(=C5)C=7[C@](C6)(C(OC(C7)(C)C)(C)C)[H])[H])C)(CC[C@@]8(O[C@@H]([C@H](O)C=C28)C(C)=C)[H])C O[C@]12[C@@]([C@@]3([C@@](CC1)(CC4=C3NC5=C4C=C6C(=C5)C=7[C@](C6)(C(OC(C7)(C)C)(C)C)[H])[H])C)(CC[C@@]8(O[C@@H]([C@H](O)C=C28)C(C)=C)[H])C is Janthitrem C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C)OC C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C)OC is LSM-41193. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule NCCC(=O)N[C@@H](CC1=CNC=N1)C(O)=O NCCC(=O)N[C@@H](CC1=CNC=N1)C(O)=O is A dipeptide that is the N-(beta-alanyl) derivative of L-histidine. It has the role of geroprotector . It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of anticonvulsant . It has the role of neuroprotective agent . It has the role of mouse metabolite . It has the role of human metabolite . It has the role of Daphnia magna metabolite . It is a conjugate acid of carnosinate . It is also related to or classified as dipeptide  .
The molecule CC(=CCC1(C(=C(C(=C(C1=O)C(=O)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)C)O)O)C)C is a chromenol that is a derivative of filicinic acid and is isolated from the stems and leaves of Hypericum drummondii. It has been found to exhibit antibacterial activity against Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis and the acid fast bacterium Mycobacterium smegmatis. It has a role as a metabolite and an antibacterial agent. It is a chromenol, a methyl ketone, an enol, an enone and an aromatic ketone. It derives from a filicinic acid.
The molecule C/C=C/C=C/C=C/CC/C=C/C(=O)NCC(C)C is an enamide obtained by the fromal condensation of 2-methylpropanamine with dodeca-2,6,8,10-tetraenoic acid (the 2E,6E,8E,10E stereoisomer). Isolated from Zanthoxylum piperitum, it exhibits inhibitory activity against acyl-CoA:cholesterol acyltransferase. It has a role as an EC 2.3.1.26 (sterol O-acyltransferase) inhibitor and a plant metabolite. It is an enamide and a secondary carboxamide. It derives from a 2-methylpropanamine.
The molecule C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O is a member of the class of benzamides obtained by the formal condensation of the amino group of 4-nitroanthranilic acid with the carboxy group of benzoic acid. It is a nitrobenzoic acid and a member of benzamides. It derives from a 4-nitroanthranilic acid and a benzoic acid.
The molecule C(CS)[C@@H](C(=O)[O-])N is an L-alpha-amino acid anion that is the conjugate base of L-homocysteine, obtained by deprotonation of the carboxy group. It is a L-alpha-amino acid anion and a homocysteinate. It is a conjugate base of a L-homocysteine.
The molecule C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)O is a tetrapeptide composed of L-alanine, L-leucine, L-threonine, and L-glutamine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-alanine, a L-leucine, a L-threonine and a L-glutamine.
The molecule O=C1CCCC(=O)O1 O=C1CCCC(=O)O1 is A cyclic dicarboxylic anhydride that is oxane which carries oxo groups at positions 2 and 6. It is used as an intermediate in the production of pharmaceuticals, corrosion inhibitors, and polymers (E.g. epoxy polyesters). Its functional parent is glutaric acid . It is also related to or classified as cyclic dicarboxylic anhydride , oxanes .
The molecule CC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CO CC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CO is A geranylgeraniol in which all double bonds have Z- (cis-) geometry. It is also related to or classified as geranylgeraniol  .
The molecule CCCCCCCCCCCCCCCCC[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 a 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (R)-3-hydroxyicosanoyl-CoA; major species at pH 7.3. It is a (R)-3-hydroxyacyl-CoA(4-) and a 3-hydroxyicosanoyl-CoA(4-). It is a conjugate base of a (R)-3-hydroxyicosanoyl-CoA.
The molecule C([C@@H]1[C@H]([C@@H]2[C@H](O1)OP(=O)(O2)[O-])O)OP(=O)([O-])[O-] is an organophosphate oxoanion obtained by deprotonation of the phsophate OH groups of alpha-D-ribose 1,2-cyclic phosphate 5-phosphate; major species at pH 7.3. It is a conjugate base of a 5-phospho-alpha-D-ribose cyclic-1,2-phosphate.
The molecule O=C1N(CCCC1)C(=O)/C=C/C2=CC(OC)=C(OC)C(OC)=C2 O=C1N(CCCC1)C(=O)/C=C/C2=CC(OC)=C(OC)C(OC)=C2 is 1-[(2E)-3-(3,4,5-Trimethoxyphenyl)prop-2-enoyl]piperidin-2-one. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule OC1C(C(O)=C(C1=O)C(=O)CC(C)C)CC=C(C)C OC1C(C(O)=C(C1=O)C(=O)CC(C)C)CC=C(C)C is Humulinic acid A. It is also related to or classified as enol  . It is also related to or classified as enone  .
The molecule C1C(=NC2=C(C=C(C=C2S1)CC(C(=O)O)N)O)C(=O)O is a member of the class of benzothiazines that is 2H-1,4-benzothiazine-3-carboxylic acid bearing additional hydroxy and 2-amino-2-carboxyethyl substituents at positions 5 and 7 respectively. It has a role as a human metabolite. It is a benzothiazine, a dicarboxylic acid, a member of phenols and a non-proteinogenic alpha-amino acid.
The molecule [H][C@]1(N[C@@H](C([O-])=O)C(C)(C)S1)[C@H](NC(=O)CC1=CC=CC=C1)C(=O)NCCCC [H][C@]1(N[C@@H](C([O-])=O)C(C)(C)S1)[C@H](NC(=O)CC1=CC=CC=C1)C(=O)NCCCC is A penicillinate anion formed by loss of a proton from the carboxy function of benzylpenicilloyl-butylamine. It is also related to or classified as penicillinate anion  .
The molecule CC[C@]1(CC(=O)C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O is a carboxylic ester that is the methyl ester of (1R,2R)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid. It has a role as a bacterial metabolite. It is a polyphenol, a tertiary alcohol, a tetracenomycin, a carbopolycyclic compound, a member of tetracenequinones, a methyl ester and a member of p-quinones. It is a conjugate acid of an aklaviketone(1-).
The molecule CCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO CCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO is A sphingoid that is the C17 analogue of sphingosine.  It is also related to or classified as sphingoid  . It is also related to or classified as aminodiol .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F is 4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4,4,4-trifluoro-1-oxobutyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(CC(=O)O)C(C=O)C(=O)O is the 2-formyl derivative of glutaric acid. It is a dicarboxylic acid and an aldehyde. It derives from a glutaric acid. It is a conjugate acid of a 2-formylglutarate(2-).
The molecule O1C([C@@H](O)[C@H](OC(=O)/C=C\C2=CC=C(O)C=C2)C(O)[C@@H]1OC=3C=C4OC(=CC(=O)C4=C(O)C3)C5=CC(OC)=C(O)C=C5)CO O1C([C@@H](O)[C@H](OC(=O)/C=C\C2=CC=C(O)C=C2)C(O)[C@@H]1OC=3C=C4OC(=CC(=O)C4=C(O)C3)C5=CC(OC)=C(O)C=C5)CO is Chrysoeriol 7-(3''-Z-p-coumaroylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=O)N3)NC2=O)O)O)OP(=O)(O)O is a purine ribonucleoside 5'-monophosphate consisting of 5'-xanthylic acid having an oxo group at the 8-position. It derives from a 5'-xanthylic acid.
The molecule CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O)O[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OP(=O)(O)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC is a lipid A derivative, comprising lipid A glycosylated with two 3-deoxy-D-manno-octulosonic acid (KDO) residues and having a diphosphate in place of the phosphate group at position 1 It is a member of lipid As, a dodecanoate ester and a tetradecanoate ester. It derives from a lipid A (E. coli). It is a conjugate acid of a (Kdo)2-lipid A 1-diphosphate(7-) (E. coli).
The molecule COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2C(=O)c3cc(C)c(O)c(OC)c3C(=O)c2c1O COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2C(=O)c3cc(C)c(O)c(OC)c3C(=O)c2c1O is aurantio-obtusin beta-D-glucoside. Its functional parent is aurantio-obtusin . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as dihydroxyanthraquinone  .
The molecule CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)OP(=O)(O)OCCN)O)O)O)C(=O)O)OC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)OP(=O)(O)OP(=O)(O)OCCN)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC is a lipid A derivative that consists of a linear trisaccharide phosphate comprising an L-glycero-alpha-D-manno-heptose residue phosphoethanolamine-substituted on O-3, another L-glycero-alpha-D-manno-heptose residue and a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) in a (1->3), (1->5) sequence, with the Kdo residue at the reducing end connected via an alpha(2->6) linkage to a de-O-acylated lipid A. Corresponds to the de-O-acylated lipid A conjugate of the icsA mutant of the core oligosaccharide of Neisseria meningitidis. It is a member of lipid As, a dodecanoate ester and a tetradecanoate ester.
The molecule CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 is the sulfonamide resulting from formal condensation of the sulfo group of 4-ethoxy-3-(5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one-2-yl)benzenesulfonic acid and the secondary amino group of 4-ethylpiperazine. It has the role of vasodilator agent . It has the role of EC 3.1.4.* (phosphoric diester hydrolase) inhibitor . It is also related to or classified as N-alkylpiperazine , imidazotriazine , N-sulfonylpiperazine .
The molecule C(CCCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] C(CCCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] is A sphingomyelin 39:1 obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of heptadecasphingosine-1-phosphocholine. It has the role of Papio hamadryas metabolite . Its functional parent is docosanoic acid . Its functional parent is C17 sphingosine . It is also related to or classified as sphingomyelin 39:1  .
The molecule Clc1ccc(-c2ccccc2)c(Cl)c1Cl Clc1ccc(-c2ccccc2)c(Cl)c1Cl is A trichlorobiphenyl that is biphenyl in which the hydrogens at positions 2, 3, and 4 on one of the benzene rings are replaced by chlorines. It is also related to or classified as trichlorobenzene  . It is also related to or classified as trichlorobiphenyl .
The molecule Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1 Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1 is A  sulfone that is diphenylsulfone in which the hydrogen atom at the 4 position of each of the phenyl groups is substituted by an amino group. It is active against a wide  range of bacteria, but is mainly employed for its actions against Mycobacterium leprae, being used as part of multidrug regimens in the treatment of all forms of leprosy. It has the role of antiinfective agent . It has the role of anti-inflammatory drug . It has the role of leprostatic drug . It has the role of antimalarial . Its functional parent is diphenyl sulfone . It is also related to or classified as sulfone  . It is also related to or classified as substituted aniline .
The molecule C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C is an organosulfonate oxoanion that is the conjugate base of taurodeoxycholic acid. It has a role as a human metabolite. It is a conjugate base of a taurodeoxycholic acid.
The molecule O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(OC4OC(C(O)C(O)C4O)CO)C3)C5=CC(O)=C(O)C=C5)CO)C6OC(C(O)C(O)C6OC(=O)/C=C/C7=CC(O)=C(O)C=C7)CO O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(OC4OC(C(O)C(O)C4O)CO)C3)C5=CC(O)=C(O)C=C5)CO)C6OC(C(O)C(O)C6OC(=O)/C=C/C7=CC(O)=C(O)C=C7)CO is Quercetin 3-(2-caffeoylsophoroside) 7-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C(CC(=O)N)C(=O)C(=O)O is a 2-oxo monocarboxylic acid. It derives from a glutaramic acid. It is a conjugate acid of a 2-oxoglutaramate.
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z-octadecenoyl (oleoyl) respectively; major species at pH 7.3. It is a conjugate base of a 1-hexadecanoyl-2-[(9Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol).
The molecule OC(=O)COC(CC(O)=O)C(O)=O OC(=O)COC(CC(O)=O)C(O)=O is the carboxymethoxy derivative of succinic acid. Its functional parent is succinic acid . It is a conjugate acid of 2-(carboxylatomethoxy)succinate(3-) . It is also related to or classified as tricarboxylic acid .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F is 1-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1C2CN(CN2C3=C(N1)N=C(NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)[O-])C(=O)[O-] is an ionic macromolecule consisting of (6R)-5,10-methylenetetrahydrofolate(2-) with an arbitrary number of glutamate residues attached as a polypeptide to the single existent one. It derives from a (6R)-5,10-methylenetetrahydrofolate(2-).
The molecule O=C1O[C@@H]2O[C@@]32[C@@H]1C[C@](OC)([C@H]4CC(C[C@H]4[C@@H]3O)(C)C)C O=C1O[C@@H]2O[C@@]32[C@@H]1C[C@](OC)([C@H]4CC(C[C@H]4[C@@H]3O)(C)C)C is (1S,2S,3R,7S,8S,10S,13S)-2-hydroxy-8-methoxy-5,5,8-trimethyl-12,14-dioxatetracyclo[8.4.0.01,13.03,7]tetradecan-11-one. It is also related to or classified as epoxide  . It is also related to or classified as carbonyl compound .
The molecule C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3 is a cyclopropenone compound having phenyl substituents at the 2- and 3-positions. It has a role as a photosensitizing agent, a hapten and a drug allergen.
The molecule CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1CCCCC(O)=O CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1CCCCC(O)=O is A prostanoid that is prostaglandin F1alpha lacking two methylenes in the carboxyalkyl chain and having inverted stereochemistry at the 8-position. Its functional parent is prostaglandin F1alpha . It is also related to or classified as prostanoid  .
The molecule C(CC[NH3+])CC(=O)C(=O)[O-] is zwitterionic form of 6-amino-2-oxohexanoic acid arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is a tautomer of a 6-amino-2-oxohexanoic acid.
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C4C(OC2C5=CC=C(O)C=C5)=CC(=[OH+])C=C4OC(=C3)C(O)=O)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C4C(OC2C5=CC=C(O)C=C5)=CC(=[OH+])C=C4OC(=C3)C(O)=O)CO is 5-Carboxypyranopelargonidin 3-O-beta-glucopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@H](CC2=CNC3=C2C=C(Cl)C=C3)NC(=O)C(NC(=O)[C@H](CCCN)NC1=O)C(O)C(N)=O)C(C)C CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@H](CC2=CNC3=C2C=C(Cl)C=C3)NC(=O)C(NC(=O)[C@H](CCCN)NC1=O)C(O)C(N)=O)C(C)C is A homodetic cyclic peptide found in several Streptomyces species, consisting of 3-hydroxyasparagine, L-ornithine, L-isoleucine, D-leucine, D-valine and 5-chloro-L-tryptophan joined in sequence in a cyclic arrangement by peptide linkages. It exhibits antibacterial properties. It has the role of antibacterial agent . It has the role of bacterial metabolite . It is also related to or classified as homodetic cyclic peptide , chloroindole .
The molecule O=C(O)C[C@@H](O)/C=C/C=C/C=C/[C@H]([C@@H](O)[C@@H](C[C@H]([C@H](O)CC(=O)C1=CC=C(N)C=C1)C)C)C O=C(O)C[C@@H](O)/C=C/C=C/C=C/[C@H]([C@@H](O)[C@@H](C[C@H]([C@H](O)CC(=O)C1=CC=C(N)C=C1)C)C)C is Mohangic acid A. It is also related to or classified as long-chain fatty acid  .
The molecule C(CCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] C(CCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] is A sphingomyelin 34:1 obtained by formal condensation of the carboxy group of octadecanoic acid with the amino group of hexadecasphingosine-1-phosphocholine. It has the role of Papio hamadryas metabolite . Its functional parent is octadecanoic acid . Its functional parent is hexadecasphing-4-enine . It is also related to or classified as sphingomyelin 34:1  .
The molecule O[C@H]1[C@]2([C@]([C@]3([C@](C1)(C(=O)CC3)C)[H])(CCC=4[C@@]2(CCC(=O)C4)C)[H])[H] O[C@H]1[C@]2([C@]([C@]3([C@](C1)(C(=O)CC3)C)[H])(CCC=4[C@@]2(CCC(=O)C4)C)[H])[H] is 11b-Hydroxyandrost-4-ene-3,17-dione. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1 is A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively. It is also related to or classified as tetrahydroxyflavanone , 3'-hydroxyflavanones .
The molecule CC(=O)N(CCC[C@@H](C(=O)N[C@@H](CCCN(C(=O)C)O)C(=O)N[C@@H](CCCN(C(=O)C)O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@@H]([C@@H]1[C@@H]([C@H]([C@@H](S1)N2C=CC(=N)N(C2=O)C)O)O)O)C(=O)O)N)O is a member of the class of desferrialbomycins that is desferrialbomycin delta1 in which the oxo group at position 4 of the pyrimidone moiety is replaced by an imino group. The iron(III) complex of desferrialbomycin epsilon is the antibiotic albomycin epsilon. It is a conjugate acid of a desferrialbomycin epsilon(3-).