anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=C1C2=C([C@H]3O[C@H]([C@@H]2[C@@H]4[C@H](OC=C5[C@]34C(=O)[C@]6(OC6C5=O)C/C=C(/C(=O)O)\C)CCCCC)CCCCC)[C@H](O)[C@H]7[C@@]1(O7)C/C=C(/C(=O)O)\C O=C1C2=C([C@H]3O[C@H]([C@@H]2[C@@H]4[C@H](OC=C5[C@]34C(=O)[C@]6(OC6C5=O)C/C=C(/C(=O)O)\C)CCCCC)CCCCC)[C@H](O)[C@H]7[C@@]1(O7)C/C=C(/C(=O)O)\C is (E)-4-[(1R,2S,4S,11R,12S,13R,16S,18S,19S,22S)-4-[(E)-3-carboxybut-2-enyl]-19-hydroxy-3,7,15-trioxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.02,8.02,12.04,6.014,20.016,18]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1C([C@H](O)C(O)C(O)[C@H]1OC2=CC=C(C=C2)C=3C(=O)C=4C(OC3)=CC=5OCOC5C4O)CO O1C([C@H](O)C(O)C(O)[C@H]1OC2=CC=C(C=C2)C=3C(=O)C=4C(OC3)=CC=5OCOC5C4O)CO is Irilone 4'-O-glucoside. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule O=C1C=C(OC)[C@@H]([C@@]1(CO)C)CO O=C1C=C(OC)[C@@H]([C@@]1(CO)C)CO is Nigrosporione C. It is also related to or classified as enol ether  . It is also related to or classified as enone  .
The molecule C([C@H]([C@H](C(=O)CC(=O)[O-])O)O)O is the conjugate base of 3-dehydro-2-deoxy-D-gluconic acid; major species at pH 7.3. It is a conjugate base of a 3-dehydro-2-deoxy-D-gluconic acid.
The molecule O1C23C4C5(C(C2C(C1=O)(C=CC3O)C)C(O)=O)CC(CC4)C(C5)=C O1C23C4C5(C(C2C(C1=O)(C=CC3O)C)C(O)=O)CC(CC4)C(C5)=C is Gibberellin A62. It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@@H]1[C@@H](COP(O)(O)=O)[C@H](C)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@@H]1[C@@H](COP(O)(O)=O)[C@H](C)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N is dihydrostreptomycin 3'alpha-phosphate. Its functional parent is dihydrostreptomycin . It is also related to or classified as streptomycin phosphate .
The molecule O=C1C2=C(O)C=3C4=C(O)C(=C(C)C=C4[C@H](O)[C@H](C3C=C2C(=O)C5=C1C=C(OC)C=C5O)O)C(=O)O O=C1C2=C(O)C=3C4=C(O)C(=C(C)C=C4[C@H](O)[C@H](C3C=C2C(=O)C5=C1C=C(OC)C=C5O)O)C(=O)O is Pradinone I. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule C/C=C/C=C/C=O is a hexadienal that is hexanal with trans double bonds at positions 2 and 4. It is found in tomatoes, kiwi fruit, mangoes, potato chips, herbs and spices. It has a role as a flavouring agent and a plant metabolite. It is a polyunsaturated fatty aldehyde, a hexadienal and a volatile organic compound.
The molecule O=C(O)/C=C/C=C/[C@@H]1[C@@H]2[C@@H](C=C[C@@H]1C)C[C@@H](C(=O)OC)C[C@H]2C O=C(O)/C=C/C=C/[C@@H]1[C@@H]2[C@@H](C=C[C@@H]1C)C[C@@H](C(=O)OC)C[C@H]2C is Tanzawaic acid Z. It is also related to or classified as medium-chain fatty acid  .
The molecule C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(CCCCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCC)=O C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(CCCCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCC)=O is A 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine in which the 2-acyl group is specified as (11Z,14Z,17Z)-icosatrienoyl. Its functional parent is hexadecanoic acid . It is also related to or classified as 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine  .
The molecule O=C1OC2=C3C(=O)[C@@H](OC(=O)C)[C@@H]([C@]3(CC[C@]4(C2=C1[C@@H](O)CC4)C)C)C(C)C O=C1OC2=C3C(=O)[C@@H](OC(=O)C)[C@@H]([C@]3(CC[C@]4(C2=C1[C@@H](O)CC4)C)C)C(C)C is Guanacastepene O. It is also related to or classified as ketone  . It is also related to or classified as carboxylic ester  .
The molecule O(P(=O)([O-])OCC)CC O(P(=O)([O-])OCC)CC is A dialkyl phosphate having ethyl as the alkyl group; major microspecies at pH 7.3. It is also related to or classified as dialkyl phosphate(1-)  .
The molecule CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] is an aryl dialkyl phosphate where both the alkyl groups are ethyl and the aryl group is 4-nitrophenyl. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a mouse metabolite. It is an aryl dialkyl phosphate and an organophosphate insecticide.
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)O)O)O)N is a nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of ADP-L-glycero-beta-D-manno-heptose; major species at pH 7.3. It is a conjugate base of an ADP-L-glycero-beta-D-manno-heptose.
The molecule [C@@]12(C)[C@]3([C@]([C@@]4(CC[C@@H](C(C4=CC3)(C)C)O)[H])(CC[C@]2(C)[C@](CC1)([C@@H](CC[C@H]5C(C)(C)O5)C)[H])C)[H] [C@@]12(C)[C@]3([C@]([C@@]4(CC[C@@H](C(C4=CC3)(C)C)O)[H])(CC[C@]2(C)[C@](CC1)([C@@H](CC[C@H]5C(C)(C)O5)C)[H])C)[H] is (24S)-24,25-epoxycucurbitadienol. It has the role of plant metabolite . Its functional parent is cucurbitadienol .  It is also related to or classified as epoxide  . It is also related to or classified as tetracyclic triterpenoid .
The molecule C(CCCCN)CCCN is an alkane-alpha,omega-diamine in which the two amino groups are separated by eight methylene groups. It derives from a hydride of an octane.
The molecule OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)c(O)c2)c(O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)c(O)c2)c(O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O is A quercetin O-glucoside in which a glucosyl residue is attached at position 7 of quercetin via a beta-glycosidic linkage. It has the role of antioxidant . It has the role of metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as flavonols  . It is also related to or classified as tetrahydroxyflavone  . It is also related to or classified as monosaccharide derivative , quercetin O-glucoside .
The molecule [NH3+][C@H](C(=O)[O-])CS[C@H](/C=C/C=C/C=C\C/C=C\CCC([O-])=O)[C@H](C/C=C\C/C=C\CC)O [NH3+][C@H](C(=O)[O-])CS[C@H](/C=C/C=C/C=C\C/C=C\CCC([O-])=O)[C@H](C/C=C\C/C=C\CC)O is A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the glutamyl alpha-amino group of (13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid; major species at pH 7.3. It is also related to or classified as docosanoid anion .
The molecule CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CO)O)O is a hexosamine phosphate having the phospho group at the 1-position. It is a conjugate acid of a N-acetyl-D-hexosamine 1-phosphate(2-).
The molecule CC1=C2C=CC=C(C2=C(C3=C(C4=C(C=C13)C(=C(C(=C4O)C(=O)N)O)[O-])O)O)O is a phenolate anion that is the conjugate base of 4-hydroxy-6-methylpretetramide, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 4-hydroxy-6-methylpretetramide.
The molecule Cl[C@@]12C(=O)C3=C(C(=[N+]=[N-])C(=O)C=C3O)C([C@@]1(OC(C)(C)[C@@H](C2)Cl)C[C@@H]4C(=C)CC[C@@H](C4(C)C)Cl)=O Cl[C@@]12C(=O)C3=C(C(=[N+]=[N-])C(=O)C=C3O)C([C@@]1(OC(C)(C)[C@@H](C2)Cl)C[C@@H]4C(=C)CC[C@@H](C4(C)C)Cl)=O is 7-demethyl A80915B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC(C(=O)C)NCCC1=CC=CC=C1 is a methyl ketone that is 2-phenylethan-1-amine in which one of the hydrogen's of the amino group is substituted by a 3-oxobutan-2-yl group. It is a volatile organic compound produced by the skin bacterium, S.schleiferi. It has a role as a bacterial metabolite and an antibacterial agent. It is a secondary amino compound, a methyl ketone, a member of benzenes and a volatile organic compound. It is a conjugate base of a 3-(phenethylamino)-butan-2-one(1+).
The molecule C\C=C\S\C=C/C C\C=C\S\C=C/C is A di-1-propenyl sulfide in which one of the double bonds adopts a trans-configuration and the other double bond adopts a cis-configuration. It is also related to or classified as di-1-propenyl sulfide  .
The molecule [Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Br)cc1 [Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccc(Br)cc1 is the sodium salt of bromfenac. Note that 'bromfenac sodium' commonly refers to the sesquihydrate (120638-55-3); this is the anhydrous form. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It is also related to or classified as organic sodium salt .
The molecule C[C@H]1CCCCC[C@@H](C(=O)[C@@H](CC(=O)O1)O)O is a hexaketide lactone isolated from the sponge-associated fungus Cladosporium sp. It is a diastereoisomer of pandangolide 1a. It has a role as a metabolite. It is a hexaketide, a secondary alpha-hydroxy ketone and a macrolide.
The molecule [Rn] [Rn] is radon atom. It is also related to or classified as noble gas atom , p-block element atom .
The molecule CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC is A benzoate ester in which 4-amino-3-butoxybenzoic acid and 2-(diethylamino)ethanol have combined to form the ester bond; an ester-based local anaesthetic (ester "caine") used especially in ophthalmology and otolaryngology. It has the role of local anaesthetic . It has the role of topical anaesthetic . It has the role of drug allergen . Its functional parent is 2-diethylaminoethanol . It is also related to or classified as benzoate ester , amino-acid ester , substituted aniline , tertiary amino compound .
The molecule [H][Te][H] [H][Te][H] is tellane. It is also related to or classified as tellurium hydride , mononuclear parent hydride .
The molecule CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)[O-].O.O.[Na+] is an organic sodium salt that is the dihydrate form of tolmetin sodium. Used as a nonselective nonsteroidal anti-inflammatory drug. It has a role as an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and a non-steroidal anti-inflammatory drug. It is an organic sodium salt and a hydrate. It contains a tolmetin sodium.
The molecule O1C23C4C5(C(C2C(CC=C3)(C1=O)C)C(O)=O)CC(O)(CC4)C(C5)=C O1C23C4C5(C(C2C(CC=C3)(C1=O)C)C(O)=O)CC(O)(CC4)C(C5)=C is Gibberellin A95. It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule [C@H](O)([C@H](O)C(COP(=O)([O-])[O-])=O)[C@H](CO)O [C@H](O)([C@H](O)C(COP(=O)([O-])[O-])=O)[C@H](CO)O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of L-sorbose 1-phosphate. Major microspecies at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C1=CC=C(C(=C1)CN2C(=CC(=N2)C3=NC=C(C(=N3)NCC(C(F)(F)F)(C(F)(F)F)O)F)C4=NOC=C4)F is a member of the class of pyrazoles that is 5-fluoro-2-(1H-pyrazol-3-yl)pyrimidine which is substituted by a 2-fluorobenzyl group at position 1, 1,2-oxazol-3-yl group at position 5, and by a [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]nitrilo group at position 4. It is a soluble guanylate cyclase stimulator under clinical development for the treatment of heart failure with preserved ejection fraction. It has a role as a soluble guanylate cyclase activator, an anti-inflammatory agent, a vasodilator agent and an antihypertensive agent. It is a member of isoxazoles, a member of pyrazoles, an organofluorine compound, an aminopyrimidine, a tertiary alcohol, a secondary amino compound and a member of monofluorobenzenes.
The molecule O=C/1N2[C@@](OC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)CCC2 O=C/1N2[C@@](OC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)CCC2 is Brevianamide R. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1[C@@H](OC2=C(O)C=C(C=C2)C=3OC=4C(C(=O)C3O)=C(O)C=C(O)C4)C(O)C(O)[C@@H](O)[C@H]1O O1[C@@H](OC2=C(O)C=C(C=C2)C=3OC=4C(C(=O)C3O)=C(O)C=C(O)C4)C(O)C(O)[C@@H](O)[C@H]1O is Quercetin 4'-galactoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1(=CC=C(C=C1NC(C)=O)C([H])=O)[O-] C1(=CC=C(C=C1NC(C)=O)C([H])=O)[O-] is major microspecies at pH 7.3. It is also related to or classified as phenolate anion .
The molecule C1CCC(CC1)NCCS(=O)(=O)O is an alkanesulfonic acid that is cyclohexanamine in which one of the amino hydrogens is substituted by a 2-sulfoethyl group. It is used as a buffer (pH range of 8.6-10.0) for studying pH-dependent processes in enzymology. It has a role as a Good's buffer substance. It is an alkanesulfonic acid and a secondary aliphatic amine.
The molecule N1[C@@]2([C@@]3(C4=C1C=CC=C4)[C@@H](C5[C@@H]([N+]6([C@]2(C[C@H]5[C@@H]([C@H]6O)CC)[H])C)C3)O)[H] N1[C@@]2([C@@]3(C4=C1C=CC=C4)[C@@H](C5[C@@H]([N+]6([C@]2(C[C@H]5[C@@H]([C@H]6O)CC)[H])C)C3)O)[H] is major species at pH 7.3. It is also related to or classified as quaternary ammonium ion  .  It is also related to or classified as hemiaminal  . It is also related to or classified as monoterpenoid indole alkaloid .
The molecule O=C([C@H](CO)CCC(=O)[O-])[O-] O=C([C@H](CO)CCC(=O)[O-])[O-] is the dicarboxylate anion of (S)-2-hydroxymethylglutaric acid; mahor microspecies at pH 7.3. It is also related to or classified as 2-hydroxymethylglutarate  .
The molecule CN[C@@H]1[C@@H](O[C@@H](CO)[C@H](O)[C@H]1OP(O)(O)=O)O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)CO)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N CN[C@@H]1[C@@H](O[C@@H](CO)[C@H](O)[C@H]1OP(O)(O)=O)O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)CO)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N is dihydrostreptomycin 3''-phosphate. Its functional parent is dihydrostreptomycin . It is also related to or classified as streptomycin phosphate .
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)S is a thiosugar that is beta-D-galactopyranose in which the hydroxy group at position 6 is replaced by a sulfanyl group. It is a thiosugar, a thiol and a monosaccharide derivative.
The molecule [C@]12(N(C(=C(CS1)OC)C(=O)O)C([C@H]2NC(=O)[C@@H](C=3CC=CCC3)N)=O)[H] [C@]12(N(C(=C(CS1)OC)C(=O)O)C([C@H]2NC(=O)[C@@H](C=3CC=CCC3)N)=O)[H] is A first-generation cephalosporin antibiotic having methoxy and [(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetyl]amino side groups located at positions 3 and 7 respectively. It is also related to or classified as cephalosporin  .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC([C@]2(C[C@@H]([C@@H]1O)O)[H])=O)[H])(CC[C@@]4([C@@H]([C@H]([C@@H](CC(C)C)O)O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC([C@]2(C[C@@H]([C@@H]1O)O)[H])=O)[H])(CC[C@@]4([C@@H]([C@H]([C@@H](CC(C)C)O)O)C)[H])[H])C)[H])C is 28-norcastasterone. It is also related to or classified as a C27-steroid  .  It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as phytosteroid , 2alpha-hydroxy steroid , 22-hydroxy steroid , 23-hydroxy steroid , 6-oxo steroid .
The molecule [NH3+][C@H](C(=O)NCC(=O)[O-])CS[C@H](\C=C\C=C\C=C/C/C=C\CCC([O-])=O)[C@H](C/C=C\C/C=C\CC)O [NH3+][C@H](C(=O)NCC(=O)[O-])CS[C@H](\C=C\C=C\C=C/C/C=C\CCC([O-])=O)[C@H](C/C=C\C/C=C\CC)O is A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the glutamyl alpha-amino group of (13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid; major species at pH 7.3. It is also related to or classified as docosanoid anion , peptide anion .
The molecule C(CCOC1=COC(=CC1=O)CN2CCOCC2)CCSC3=CC=NC=4C=C(C=CC43)C(F)(F)F.Cl.Cl C(CCOC1=COC(=CC1=O)CN2CCOCC2)CCSC3=CC=NC=4C=C(C=CC43)C(F)(F)F.Cl.Cl is EHT 1864. It is also related to or classified as EC 3.6.5.* (hydrolases acting on GTP; involved in cellular and subcellular movement) inhibitor .
The molecule O=C1C2=C(O)C=3C(=CC(OC)=C(C3C)C(=O)OC)C=C2C(=O)[C@]4([C@]1(O)C(OC)=CC(=O)[C@@H]4OC)O O=C1C2=C(O)C=3C(=CC(OC)=C(C3C)C(=O)OC)C=C2C(=O)[C@]4([C@]1(O)C(OC)=CC(=O)[C@@H]4OC)O is Saccharothrixone D. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule COC1=CC(=CC=C1)C([O-])=O COC1=CC(=CC=C1)C([O-])=O is A methoxybenzoate that is the conjugate base of 3-methoxybenzoic acid resulting from the deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as methoxybenzoate .
The molecule C1(=CC=C(C=C1NC(C)=O)C([O-])=O)O C1(=CC=C(C=C1NC(C)=O)C([O-])=O)O is A carboxylic acid anion resulting from the deprotonation of the carboxy group of 3-acetamido-4-hydroxybenzoic acid. The major microspecies at pH 7.3. It is also related to or classified as carboxylic acid anion  .
The molecule C(=C\\N)\\C(=O)OO is the peracid of (Z)-3-aminoacrylic acid where the acidic -OH group has been replaced by an -OOH group. It is a peroxy acid and an enamine. It derives from an acrylic acid.
The molecule [La] [La] is lanthanum atom. It is also related to or classified as lanthanoid atom  . It is also related to or classified as scandium group element atom , f-block element atom .
The molecule COC COC is an ether in which the oxygen atom is connected to two methyl groups. It is also related to or classified as ether  .
The molecule CC(C1=CC[C@@]2(C)[C@@]1([H])CCC(C)=CCCC(C)=CC2)C CC(C1=CC[C@@]2(C)[C@@]1([H])CCC(C)=CCCC(C)=CC2)C is A bicyclic diterpene natural product from Streptomyces collinus. It has the role of bacterial metabolite .   It is also related to or classified as diterpene  . It is also related to or classified as dolabellane diterpenoid , bicyclic compound .
The molecule CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC4=CC=CC=N4)=N2)=C1 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC4=CC=CC=N4)=N2)=C1 is apilimod (STA 5326) is a potent IL-12/IL-23 inhibitor, and strongly inhibits IL-12 in IFNg/SAC-stimulated human PBMCs and SAC-treated monkey PBMCs. Apilimod is a potent and highly selective PIKfyve inhibitor. It is also related to or classified as organic molecular entity .
The molecule CC/C=C\\C/C=C\\C[C@@H](/C=C/C=C\\C/C=C\\C/C=C\\CCC(=O)O)O is a 14-HDoHE in which the stereocentre at position 14 has S-configuration. It is a conjugate acid of a (14S)-HDoHE(1-). It is an enantiomer of a (14R)-HDoHE.
The molecule [NH3+][C@@H](CCC(=O)N[C@H](C(=O)NCC(=O)[O-])CS[C@H](/C=C/C=C/C=C\C/C=C\CCC([O-])=O)[C@H](C/C=C\C/C=C\CC)O)C(=O)[O-] [NH3+][C@@H](CCC(=O)N[C@H](C(=O)NCC(=O)[O-])CS[C@H](/C=C/C=C/C=C\C/C=C\CCC([O-])=O)[C@H](C/C=C\C/C=C\CC)O)C(=O)[O-] is A docosanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of  (13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid; major species at pH 7.3. It is also related to or classified as docosanoid anion , peptide anion .
The molecule C1=CC=CC2=C1N[C@]3(C(=CC=CC3=N2)C(=O)[O-])[H] C1=CC=CC2=C1N[C@]3(C(=CC=CC3=N2)C(=O)[O-])[H] is A monocarboxylic acid anion that is the conjugate base of (10aS)-10,10a-dihydrophenazine-1-carboxylic acid, obtained by deprotonation of the carboxy group; 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 aromatic amino-acid anion .
The molecule [Na+] is a monoatomic monocation obtained from sodium. It has a role as a human metabolite and a cofactor. It is an alkali metal cation, an elemental sodium, a monovalent inorganic cation and a monoatomic monocation.
The molecule O=C1C2=C(C=3C=CC(=C4C3[C@@]1(OC[C@H]4O)OC)C)CCCC2(C)C O=C1C2=C(C=3C=CC(=C4C3[C@@]1(OC[C@H]4O)OC)C)CCCC2(C)C is Aspergiloid A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [C@@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O is a myo-inositol tetrakisphosphate that consists of myo-inositol having the four phospho groups located at positions 1, 4, 5 and 6 as well as a diphospho group at position 3. It derives from a myo-inositol.
The molecule C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O.Cl is a hydrochloride that is the monohydrochloride salt of benserazide. An aromatic-L-amino-acid decarboxylase inhibitor (DOPA decarboxylase inhibitor) that does not enter the central nervous system, it is used as an adjunct to levodopa in the treatment of parkinsonism. By preventing the conversion of levodopa to dopamine in the periphery, it causes an increase in the amount of levodopa reaching the central nervous system and so reduces the required dose. Benserazide hydrochloride has no antiparkinson actions when given alone. It has a role as an antiparkinson drug, an EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor and a dopaminergic agent. It contains a benserazide(1+).
The molecule CC(/C(=N\\OC(=O)NC)/C)SC is a carbamate ester. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a carbamate insecticide, an agrochemical and an acaricide. It derives from a 3-(methylsulfanyl)butan-2-one oxime.
The molecule CS(C)=O CS(C)=O is A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents. It has the role of geroprotector . It has the role of alkylating agent . It has the role of non-narcotic analgesic . It has the role of MRI contrast agent . It has the role of polar aprotic solvent . It has the role of radical scavenger . It has the role of antidote . It has the role of Escherichia coli metabolite .  It is also related to or classified as sulfoxide  . It is also related to or classified as volatile organic compound .
The molecule [H][Ge]([H])([H])[H] [H][Ge]([H])([H])[H] is germane. It is also related to or classified as germanium hydride , mononuclear parent hydride .
The molecule C(CS(=O)(=O)O)N=C(N)N is the N-amidino derivative of taurine. It is a member of guanidines and an organosulfonic acid. It derives from a taurine. It is a tautomer of a taurocyamine zwitterion.
The molecule Nc1nc2NCC(CO)=Nc2c(=O)[nH]1 Nc1nc2NCC(CO)=Nc2c(=O)[nH]1 is A dihydropterin that is 7,8-dihydropteridin-4-one substituted at positions 2 and 6 by amino and hydroxymethyl groups respectively. It is also related to or classified as dihydropterin .
The molecule O=C1C=C2C3=C(O[C@@]([C@H]2CC1)(CCC=C(C)C)C)C=CC(=C3)O O=C1C=C2C3=C(O[C@@]([C@H]2CC1)(CCC=C(C)C)C)C=CC(=C3)O is (+/-)-cochlearol Y. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C1O[C@H](CCCC(=O)[C@H](O)[C@@H](CC=CC2=C1C(O)=CC(=C2OC)OC)O)C O=C1O[C@H](CCCC(=O)[C@H](O)[C@@H](CC=CC2=C1C(O)=CC(=C2OC)OC)O)C is Hamigeromycin E. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule O(C(=O)[C@@H](NC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1)C)C O(C(=O)[C@@H](NC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1)C)C is N-(2,4-Dinitrophenyl)-L-alanine methyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule N1(C2=C(C(NC(=N2)N)=O)N=C1)[C@@H]3O[C@H](COP(OP(O[C@@H]4[C@H]([C@@H]([C@H](O)[C@H](O4)C)O)O)(O)=O)(O)=O)[C@H]([C@H]3O)O N1(C2=C(C(NC(=N2)N)=O)N=C1)[C@@H]3O[C@H](COP(OP(O[C@@H]4[C@H]([C@@H]([C@H](O)[C@H](O4)C)O)O)(O)=O)(O)=O)[C@H]([C@H]3O)O is A GDP-hexose having 6-deoxy-alpha-D-altrose as the hexose component. It is a conjugate acid of GDP-6-deoxy-alpha-D-altrose(2-) . It is also related to or classified as GDP-hexose  .
The molecule CCCCOC(=O)CCCCCCCC=C is a fatty acid ester obtained by the formal condensation of butan-1-ol with caproleic acid. It has a role as a metabolite. It is a fatty acid ester and an olefinic compound. It derives from a dec-9-enoic acid and a butan-1-ol.
The molecule CCC(C)C(O)c1sc(CCP(O)(=O)OP(O)(O)=O)c(C)[n+]1Cc1cnc(C)nc1N CCC(C)C(O)c1sc(CCP(O)(=O)OP(O)(O)=O)c(C)[n+]1Cc1cnc(C)nc1N is 2-methyl-1-hydroxybutylthiamine diphosphate. It is also related to or classified as thiamine phosphate , 1,3-thiazolium cation .
The molecule CCCC(=O)Nc1ccc(OCC(O)C[NH2+]C(C)C)c(c1)C(C)=O CCCC(=O)Nc1ccc(OCC(O)C[NH2+]C(C)C)c(c1)C(C)=O is an ammonium ion that results from the protonation of the amine nitrogen of acebutolol. It is a conjugate acid of acebutolol . It is also related to or classified as ammonium ion derivative .
The molecule OCC(CO[N+]([O-])=O)O[N+]([O-])=O OCC(CO[N+]([O-])=O)O[N+]([O-])=O is 1,2-dinitroglycerol. Its functional parent is glycerol . It is also related to or classified as primary alcohol  . It is also related to or classified as dinitroglycerol .
The molecule C1CCN=C(C1)C(=O)O is a piperidinemonocarboxylic acid. It is a conjugate acid of a 1-piperideine-2-carboxylate. It is a tautomer of a 1-piperideine-2-carboxylic acid zwitterion.