anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)NC(=O)NC5=CC6=CC(=C(C(=C6C=C5)O)N=NC7=C(C=C(C=C7)N=NC8=CC=C(C=C8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O is a naphthalenesulfonic acid that is the free acid form of the dye Sirius red F3B. The hexasodium salt is a histological dye used principally in staining methods for collagen and amyloid. It has a role as a fluorochrome and a histological dye. It is a member of ureas, a member of naphthols, a naphthalenesulfonic acid and a member of azobenzenes. It is a conjugate acid of a Sirius red F3B(6-).
The molecule C[C@H]1C2=C(C3=C(C=C(C=C3)O)OC2=O)O[C@]1(C)CCC/C(=C/C(=O)C=C(C)C)/C is a furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-4(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). It has a role as a metabolite and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a furanocoumarin, a sesquiterpenoid, a member of phenols and an aromatic ketone.
The molecule O=C1C2=C(OC(=C1)C3=CC(OC)=C(O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)C(=C3)OC)C=C(O)C=C2O O=C1C2=C(OC(=C1)C3=CC(OC)=C(O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)C(=C3)OC)C=C(O)C=C2O is Flavoside A. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C(=O)[O-].C(=O)[O-].O.O.[Mg+2] is the magnesium salt of formic acid, which exists in the solid state as a dihydrate. It is a magnesium salt and a hydrate. It derives from a formic acid.
The molecule CC1=C(C)C(O)=C(C)C(C)=C1O CC1=C(C)C(O)=C(C)C(C)=C1O is A member of the class of hydroquinones that is benzene-1,4-diol carrying four methyl groups at positions 2, 3, 5 and 6. It has the role of volatile oil component . It has the role of bacterial xenobiotic metabolite . It is also related to or classified as hydroquinones  . It is also related to or classified as methylbenzene .
The molecule O1C(O)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]2O[C@@H]([C@@H](N[C@H]3C=C([C@@H](O)[C@@H]([C@H]3O)O)CO)[C@@H]([C@H]2O)O)C O1C(O)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]2O[C@@H]([C@@H](N[C@H]3C=C([C@@H](O)[C@@H]([C@H]3O)O)CO)[C@@H]([C@H]2O)O)C is Amylostatin XG. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule C(CCCCCCCCCCCCCCO)CCCCC([O-])=O C(CCCCCCCCCCCCCCO)CCCCC([O-])=O is an omega-hydroxy fatty acid anion resulting from deprotonation of the carboxy group of 20-hydroxyicosanoic acid. The major species at pH 7.3. It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  .
The molecule OC(=O)CC(=N)C(O)=O OC(=O)CC(=N)C(O)=O is A succinic acid derivative having an imino group at the 2-position. It has the role of Escherichia coli metabolite . Its functional parent is succinic acid . It is a conjugate acid of iminoaspartate . It is a conjugate acid of iminoaspartate(1-) .  It is also related to or classified as ketimine  . It is also related to or classified as aspartic acid derivative , C4-dicarboxylic acid .
The molecule [H][C@]12Oc3cc4OCOc4cc3[C@@]1(O)COc1cc(O)ccc21 [H][C@]12Oc3cc4OCOc4cc3[C@@]1(O)COc1cc(O)ccc21 is A member of the class of pterocarpans that is (6aS,11aS)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene which is substituted by a hydroxy group at position 3, a second hydroxy group at position 6a (resulting in the CIP stereochemical designation changing to R,R), and a methylenedioxy group at positions 8-9. It is a metabolite of the pea phytoalexin (+)-pisatin, produced by the pea-pathogenic Fusarium oxysporum forma specialis pisi, and a number of other fungi, including Fusarium anruioides, Fusarium avenaceum, Mycosphaerella pinodes, and Stemphylium botryosum. Its functional parent is (+)-maackiain . It is also related to or classified as pterocarpans  . It is also related to or classified as tertiary alcohol  .
The molecule S(OCC1(OC(C(O)C1O)CO)OC2OC(C(O)C(O)C2O)CO)(O)(=O)=O S(OCC1(OC(C(O)C1O)CO)OC2OC(C(O)C(O)C2O)CO)(O)(=O)=O is {[3,4-dihydroxy-5-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}sulfonic acid. It is also related to or classified as carbohydrate sulfate , disaccharide derivative .
The molecule [NH3+][C@@H](CO)C(O)=O [NH3+][C@@H](CO)C(O)=O is A serinium that is the conjugate acid of L-serine, obtained by protonation of the amino group. It is a conjugate acid of L-serine . It is also related to or classified as serinium  .
The molecule N([C@@H](CCC(N)=O)C(=O)O)C(CCCOC=1C=CC(=CC1Cl)Cl)=O N([C@@H](CCC(N)=O)C(=O)O)C(CCCOC=1C=CC(=CC1Cl)Cl)=O is an N(2)-acyl-L-glutamine that is L-glutamine in which one of the hydrogens of the alpha-amino group has been replaced by a 4-(2,4-dichlorophenoxy)butanoyl group. Its functional parent is 2,4-DB . It is a conjugate acid of N(2)-[4-(2,4-dichlorophenoxy)butanoyl]-L-glutamine(1-) . It is also related to or classified as N(2)-acyl-L-glutamine  . It is also related to or classified as dichlorobenzene  . It is also related to or classified as aromatic ether .
The molecule CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@@H](CCCCO1)C)[C@@H](C)CO)C CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@@H](CCCCO1)C)[C@@H](C)CO)C is 4-fluoro-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule S1C(=C(C(=O)C[C@@H]1C)C(=O)C)C S1C(=C(C(=O)C[C@@H]1C)C(=O)C)C is Citreothiopyrane A. It is also related to or classified as organosulfur heterocyclic compound , organic heteromonocyclic ring .
The molecule [H]C([H])(C([H])([H])[C@]([H])(O)CN)[C@@]([H])(N)C=O [H]C([H])(C([H])([H])[C@]([H])(O)CN)[C@@]([H])(N)C=O is A tetradeoxyhexose carrying amino substituents at positions 2 and 6 and deoxygenated at positions 2, 3, 4 and 6. It is also related to or classified as amino monosaccharide , tetradeoxyhexose derivative .
The molecule C=1(C=CC(=CC1O)/C=C(/C(NCC=2C=CC=CC2)=O)\C#N)O C=1(C=CC(=CC1O)/C=C(/C(NCC=2C=CC=CC2)=O)\C#N)O is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic acid with the amino group of benzylamine. It has the role of geroprotector . It has the role of antioxidant . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor . It has the role of STAT3 inhibitor . It is also related to or classified as secondary carboxamide  . It is also related to or classified as nitrile  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as catechols  . It is also related to or classified as enamide  .
The molecule O(C1C2(C3C(C4C(C(CC4)C(C5OC(=O)C(=C(C5)C)CO)C)(CC3)C)CC=C2CC(OC6OC(C(O)C(O)C6O)CO)C1)C)C(=O)C O(C1C2(C3C(C4C(C(CC4)C(C5OC(=O)C(=C(C5)C)CO)C)(CC3)C)CC=C2CC(OC6OC(C(O)C(O)C6O)CO)C1)C)C(=O)C is 1-Acetyl-3,27-dihydroxywitha-5,24-dienolide 3-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as withanolide .
The molecule OC(=O)CNCP(O)(O)=O OC(=O)CNCP(O)(O)=O is A phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicides worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS). It has the role of EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor . It has the role of herbicide . It has the role of agrochemical . It is a conjugate acid of glyphosate(1-) . It is a conjugate acid of glyphosate(2-) .  It is also related to or classified as phosphonic acid  . It is also related to or classified as glycine derivative .
The molecule [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)COP([O-])([O-])=O [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)COP([O-])([O-])=O is A steroid phosphate oxoanion which is the dianion obtained by deprotonation of the phosphate OH groups of cortisol phosphate. It is also related to or classified as steroid phosphate oxoanion .
The molecule COC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N is a sulfonamide consisting of pyrimidine having a methoxy substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 2-position. It has a role as an antiinfective agent, a renal agent and a leprostatic drug. It is a member of pyrimidines, a sulfonamide and a sulfonamide antibiotic. It derives from a sulfanilamide.
The molecule CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC is a phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position. It has a role as a serotonergic antagonist, a H1-receptor antagonist, an alpha-adrenergic antagonist, a dopaminergic antagonist, a first generation antipsychotic, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor and an EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor. It is a member of phenothiazines and a member of piperidines. It contains a methylsulfanyl group.
The molecule OC=1C=CC(=CC1OC)[C@H]2OC3=CC(=CC(=C3C(C2)=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5OC[C@@]([C@@]5([H])O)(CO)O OC=1C=CC(=CC1OC)[C@H]2OC3=CC(=CC(=C3C(C2)=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5OC[C@@]([C@@]5([H])O)(CO)O is A viscumneoside that is homoeriodictyol in which the hydroxy group at position 7 has been converted into the corresponding beta-D-glucopyranoside, the 2-hydroxy group of which has been converted to its beta-D-apiofuranoside derivative. Found in Viscum coloratum, an evergreen hemiparasitic plant whose stems and leaves are used in traditional Chinese medicine for the treatment of rheumatism. It has the role of plant metabolite . Its functional parent is beta-D-apiose . Its functional parent is homoeriodictyol .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as viscumneoside , flavanone glycoside .
The molecule C1[C@H]([C@@H]([C@H]([C@H]1O)CCC(=O)O)CCC(=O)CCCCC(=O)O)O is a prostanoid that is prostaglandin E2-UM in which the oxo group at position 9 has been reduced to the corresponding alcohol (alpha-configuration). It has a role as a metabolite. It is a prostanoid, an oxo dicarboxylic acid, a secondary alcohol and a ketone.
The molecule [H]C1(CCC2([H])C3([H])CCC4([H])CC(CCC4(C)C3([H])CCC12C)NC(C)=O)C(C)N(C)C [H]C1(CCC2([H])C3([H])CCC4([H])CC(CCC4(C)C3([H])CCC12C)NC(C)=O)C(C)N(C)C is A steroid alkaloid that is 5alpha-pregnane substituted by an acetylamino group at position 3beta, a methyl group at position 20S, and a dimethylamino group at position 21. It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of plant metabolite .   It is also related to or classified as aza-steroid  . It is also related to or classified as acetamides , steroid alkaloid , tertiary amino compound .
The molecule Oc1ccc2ccccc2c1\N=N\c1ccccc1 Oc1ccc2ccccc2c1\N=N\c1ccccc1 is Sudan I. It has the role of dye . Its functional parent is 2-naphthol . It is also related to or classified as monoazo compound .
The molecule C1=CC=C(C(=C1)C(=O)O)[O-] is a monohydroxybenzoate that is the conjugate base of salicylic acid. It has a role as a plant metabolite. It is a conjugate base of a salicylic acid.
The molecule C(CCC)C[C@H]1[C@@H](C/C=C\C/C=C\C/C=C\CCCC([O-])=O)O1 C(CCC)C[C@H]1[C@@H](C/C=C\C/C=C\C/C=C\CCCC([O-])=O)O1 is A 14,15-EET(1-) that is the conjugate base of (14R,15S)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as 14,15-EET(1-)  .
The molecule CC(C)[C@H]1CC[C@]2([C@@H]1[C@@H]3[C@](CC[C@]2(O3)O)(C)O)C is an organic heterotricyclic compound and sesquiterpenoid that is 11-oxatricyclo[5.3.1.0(2,6)]undecane-1,8-diol which is substituted by methyl groups at positions 5 and 8, and by an isopropyl group at position 5. The absolute stereochemistry is not known; it is either 1R,2S,5R,6R,7R,8R (as shown), or the enantiomer. It has a role as a plant metabolite. It is a sesquiterpenoid, a lactol, a tertiary alcohol and an organic heterotricyclic compound.
The molecule C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@@H]4O)O)C)C is a oxysterol that is cholesterol in which the hydrogen at the 4beta position has been replaced by a hydroxy group. A metabolite of cholesterol formed by the drug-metabolizing enzyme cytochrome P450 3A4, it is one of the major oxysterols in the human circulation. It has a role as a human metabolite. It is an oxysterol, a 3beta-sterol, a diol and a 3beta-hydroxy-Delta(5)-steroid. It derives from a cholesterol.
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)C(=O)C3CCCCC3 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)C(=O)C3CCCCC3 is N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [Fe] is an iron group element atom that has atomic number 26. It has a role as a micronutrient and an Escherichia coli metabolite.
The molecule O=C1C2=C(O)C=C(OC)C=C2[C@@H](O)[C@H]3C1=CO[C@@H](C)C3 O=C1C2=C(O)C=C(OC)C=C2[C@@H](O)[C@H]3C1=CO[C@@H](C)C3 is Biatriosporin J. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
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)CC4=CC=NC=C4 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)CC4=CC=NC=C4 is N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-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 CC(C)(C)C(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C is a C5-acylcarnitine in which the acyl group specified is pivaloyl. It has a role as a metabolite. It derives from a pivalic acid.
The molecule C1(=C(C(CCC1(C)C)(O)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C C1(=C(C(CCC1(C)C)(O)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C is A beta-carotene carrying two additional hydroxy substituents at position 4. Its functional parent is beta-carotene . It is also related to or classified as cyclic carotene .
The molecule OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O is A quercetin O-glycoside that is quercetin with a beta-D-galactosyl residue attached at position 3. Isolated from Artemisia capillaris, it exhibits hepatoprotective activity. It has the role of hepatoprotective agent . It has the role of plant metabolite . It is also related to or classified as beta-D-galactoside  . It is also related to or classified as tetrahydroxyflavone  . It is also related to or classified as monosaccharide derivative , quercetin O-glycoside .
The molecule CCCCC\C=C/C\C=C/C=C/C=C/C[C@H]1O[C@@H]1CCC(O)=O CCCCC\C=C/C\C=C/C=C/C=C/C[C@H]1O[C@@H]1CCC(O)=O is A leukotriene whose structure comprises leukotriene A4 having a (4R,5R)-epoxy group. Its functional parent is leukotriene A4 . It is also related to or classified as leukotriene  . It is also related to or classified as polyunsaturated fatty acid , epoxy fatty acid .
The molecule [C@@H](CCC(N)=O)(NC(=O)CCCC1=CNC2=CC=CC=C21)C(O)=O [C@@H](CCC(N)=O)(NC(=O)CCCC1=CNC2=CC=CC=C21)C(O)=O is an N(2)-acyl-L-glutamine that has 4-(1H-indol-3-yl)butanoyl as the acyl group. Its functional parent is indole-3-butyric acid . It is a conjugate acid of N(2)-[4-(indol-3-yl)butanoyl]-L-glutaminate . It is also related to or classified as primary carboxamide  . It is also related to or classified as secondary carboxamide  . It is also related to or classified as N(2)-acyl-L-glutamine  . It is also related to or classified as indoles .
The molecule OC(=O)C1(CC1(Cl)Cl)c1ccccc1 OC(=O)C1(CC1(Cl)Cl)c1ccccc1 is 2,2-dichloro-1-phenylcyclopropanecarboxylic acid. Its functional parent is cyclopropanecarboxylic acid . It is also related to or classified as organochlorine compound  .
The molecule O=C1C2=C(O)C=C(OC)C=C2[C@@H](O)[C@H]3[C@@H]1CO[C@H](C3)C O=C1C2=C(O)C=C(OC)C=C2[C@@H](O)[C@H]3[C@@H]1CO[C@H](C3)C is Biatriosporin I. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\Cc1c(C)c(O)c2ccccc2c1O CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\Cc1c(C)c(O)c2ccccc2c1O is phyllohydroquinone.  It is also related to or classified as naphthohydroquinone  . It is also related to or classified as polyprenylhydroquinone .
The molecule [O-]C(=O)C[NH2+]CC([O-])=O [O-]C(=O)C[NH2+]CC([O-])=O is an ammonium ion resulting from the protonation of the nitrogen atom of iminodiacetate. The major species at pH 7.3. It is a conjugate acid of iminodiacetate . It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as ammonium ion derivative .
The molecule COC1=C(C=C(C=C1)C2=C3C4=CC(=C(C=C4C=CN3C5=C2C6=CC(=C(C=C6OC5=O)OS(=O)(=O)O)OC)OC)OC)O is a heterocyclyl sulfate that acts as a HIV-1 integrase inhibitor. It has a role as a HIV-1 integrase inhibitor. It is an alkaloid, a heterocyclyl sulfate, a delta-lactone and a member of guaiacols. It is a conjugate acid of a lamellarin alpha 20-sulfate(1-).
The molecule COc1ccc(C=CC)cc1 COc1ccc(C=CC)cc1 is A monomethoxybenzene that is methoxybenzene substituted by a prop-1-en-1-yl group at position 4. It has the role of plant metabolite . It is also related to or classified as monomethoxybenzene .
The molecule O=C1C=C2CCNC2=CC1=O O=C1C=C2CCNC2=CC1=O is A member of the class of indoledione that is 2,3,5,6-tetrahydro-1H-indole carrying oxo groups at positions 5 and 6; major microspecies at pH 7.3. It is an endogenous compound formed during dopamine oxidation and can induce neurotoxicity under certain aberrant conditions and induce Parkinson-like syndrome. It has the role of neurotoxin . It is also related to or classified as indoledione , orthoquinones .
The molecule C(CCC)C[C@@H]1[C@H](C/C=C\C/C=C\C/C=C\CCCC([O-])=O)O1 C(CCC)C[C@@H]1[C@H](C/C=C\C/C=C\C/C=C\CCCC([O-])=O)O1 is A 14,15-EET(1-) that is the conjugate base of (14S,15R)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as 14,15-EET(1-)  .
The molecule C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O is a doubly-charged alpha-amino-acid anion arising from deprotonation of the carboxy and phosphate groups of N-adenylyl-L-phenylalanine; major species at pH 7.3. It is an organophosphate oxoanion and an alpha-amino-acid anion. It is a conjugate base of a N-adenylyl-L-phenylalanine.
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C is 1-[(3R,9R,10R)-9-[(dimethylamino)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]-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(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-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](C[N+](C)(C)C)O)O is an acyl-CoA oxoanion obtained from (R)-carnitinyl-CoA betaine in which three protons have been removed from the phosphate groups. It is a conjugate base of a (R)-carnitinyl-CoA betaine.
The molecule [Ca++].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O [Ca++].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O is calcium sulfate dihydrate. It is also related to or classified as calcium salt , hydrate .
The molecule C1(=C(C(CCC1(C)C)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C C1(=C(C(CCC1(C)C)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C is A beta-carotene carrying one additional hydroxy substituent at position 4. Its functional parent is beta-carotene . It is also related to or classified as cyclic carotene .
The molecule C(CCC)C/C=C\C[C@@H]1[C@H](C/C=C\C/C=C\CCCC([O-])=O)O1 C(CCC)C/C=C\C[C@@H]1[C@H](C/C=C\C/C=C\CCCC([O-])=O)O1 is an 11,12-EET(1-) that is the conjugate base of (11S,12R)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as 11,12-EET(1-)  .
The molecule O=C1NC=CC=C1C(O)=O O=C1NC=CC=C1C(O)=O is 2-Hydroxynicotinic acid. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule OCc1c[nH]cn1 OCc1c[nH]cn1 is A member of the class of imidazoles that is 1H-imidazole substituted by a hydroxymethyl group at position 4. It is also related to or classified as primary alcohol  . It is also related to or classified as imidazoles .
The molecule [O-]C(=O)c1c[nH]c(=O)[nH]c1=O [O-]C(=O)c1c[nH]c(=O)[nH]c1=O is the conjugate base of uracil-5-carboxylic acid; major species at pH 7.3. It is also related to or classified as pyrimidinecarboxylate anion .
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A branched amino heptasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc in which the mannosyl group is substituted at position 3 by a beta-D-GlcNAc-(1->2)-alpha-D-Man group and at position 6 by an alpha-D-Man-(1->2)-alpha-D-Man group. It is also related to or classified as beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc  . It is also related to or classified as glucosamine oligosaccharide , amino sugar , amino heptasaccharide .
The molecule C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N is a member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection. It has a role as a HIV-1 reverse transcriptase inhibitor, a drug metabolite, an antiviral drug, a nephrotoxic agent and a DNA synthesis inhibitor. It is a member of 6-aminopurines, an ether and a member of phosphonic acids. It derives from an adenine. It is a conjugate acid of an adefovir(1-).
The molecule O=C1NC=C(N=C1)C(=O)N O=C1NC=C(N=C1)C(=O)N is 5-Hydroxypyrazinamide. It is also related to or classified as carboxamide  . It is also related to or classified as pyrazines .