anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(C/C=C\C[C@@H](/C=C/C=C\C=C\C=C\C([C@H](C/C=C\CC)O)=O)O)C(O)=O C(C/C=C\C[C@@H](/C=C/C=C\C=C\C=C\C([C@H](C/C=C\CC)O)=O)O)C(O)=O is A member of the class of resolvins that is resolvin D2 in which the 16-hydroxy group has undergone formal oxidation to the corresponding ketone. It has the role of human xenobiotic metabolite . It is a conjugate acid of 16-oxoresolvin D2(1-) .  It is also related to or classified as secondary allylic alcohol  .  It is also related to or classified as diol  . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as enone  . It is also related to or classified as resolvin , hydroxy polyunsaturated fatty acid , oxo fatty acid .
The molecule CC[C@H]1[C@](CC[C@@H](O1)[C@@]2(C[C@H]([C@@](O2)([C@@]3(CC[C@H](O3)[C@H]([C@]4([C@@H](C[C@@H]([C@H](O4)C[C@@]5([C@H](CC[C@@H](O5)[C@@H](C)[C@@H](C[C@H]6[C@@H](C[C@@H]([C@H](O6)[C@@H](C)C(=O)O)C)C)O)C)O)C)C)O)O)C)O)C)C)(C)O is a polyether antibiotic that is isolated from cultures of a strain of Streptomyces albus. It has a role as an ionophore. It is a polyether antibiotic, a member of oxolanes, a cyclic hemiketal and a monocarboxylic acid.
The molecule CO[C@H](C\C=C/C=C/CC\C=C\C[C@H](C)\C=C\C(\CC(O)=O)=C/C(O)=O)C(\C)=C/C=C(\C)C(O)=O CO[C@H](C\C=C/C=C/CC\C=C\C[C@H](C)\C=C\C(\CC(O)=O)=C/C(O)=O)C(\C)=C/C=C(\C)C(O)=O is A tricarboxylic acid that is docosa-2,4,8,10,14,18,20-heptaenedioic acid substituted at positions 2 ,5 and 17 by methyl groups, at positions 6 by a methoxy group and at position 20 by a carboxymethyl group. It is produced by the bacterium Burkholderia gladioli and implicated in outbreaks of food-borne illness involving coconut and corn-based products in Indonesia and China. It has the role of toxin . It has the role of apoptosis inhibitor . It has the role of EC 2.5.1.18 (glutathione transferase) inhibitor . It has the role of bacterial metabolite . It has the role of ATP/ADP translocase inhibitor . It is a conjugate acid of bongkrekate(3-) . It is also related to or classified as ether  . It is also related to or classified as tricarboxylic acid , olefinic compound .
The molecule CC(C)C1=Cc2ccc3c(C)c(C)c(O)cc3c2C(=O)C1=O CC(C)C1=Cc2ccc3c(C)c(C)c(O)cc3c2C(=O)C1=O is A diterpenoid that is multiorthoquinone in which the methoxy group at position 12 is replaced by a hydroxy group. A norabietane derivative, it is isolated from Salvia multicaulis and exhibits antitubercular activity. It has the role of metabolite . It has the role of antitubercular agent . It is also related to or classified as diterpenoid  . It is also related to or classified as orthoquinones , phenanthrenes .
The molecule OP(O)(=O)O[C@@H]1[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H]1OP(O)(O)=O OP(O)(=O)O[C@@H]1[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H]1OP(O)(O)=O is A 1D-myo-inositol bis(diphosphate) tetrakisphosphate having the two diphospho groups located at positions 1 and 5. Its functional parent is myo-inositol . It is a conjugate acid of 1,5-bis(diphospho)-1D-myo-inositol 2,3,4,6-tetrakisphosphate(13-) . It is also related to or classified as 1D-myo-inositol bis(diphosphate) tetrakisphosphate .
The molecule C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O)NC(=O)NC2=O is trianion of xanthosine 5'-triphosphate arising from deprotonation of three of the four free triphosphate OH groups. It is a xanthosine 5'-phosphate and a ribonucleoside triphosphate oxoanion. It is a conjugate base of a XTP. It is a conjugate acid of a XTP(4-).
The molecule CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC is a phosphatidylcholine 36:6 in which the acyl groups specified at positions 1 and 2 is (9Z,12Z,15Z)-octadecatrienoyl. It derives from an alpha-linolenic acid.
The molecule N[C@@H](CCCCNC(=O)Cc1c[nH]c2ccccc12)C(O)=O N[C@@H](CCCCNC(=O)Cc1c[nH]c2ccccc12)C(O)=O is N(6)-[(indol-3-yl)acetyl]-L-lysine. It is also related to or classified as N(6)-acyl-L-lysine  . It is also related to or classified as non-proteinogenic L-alpha-amino acid .
The molecule C(C/C=C\CC(\C=C\C=C/C=C/C=C/[C@H]([C@H](C/C=C\CC)O)O)=O)C(O)=O C(C/C=C\CC(\C=C\C=C/C=C/C=C/[C@H]([C@H](C/C=C\CC)O)O)=O)C(O)=O is A member of the class of resolvins that is resolvin D2 in which the 7-hydroxy group has undergone formal oxidation to the corresponding ketone. It has the role of human xenobiotic metabolite . It is a conjugate acid of 7-oxoresolvin D2(1-) .  It is also related to or classified as secondary allylic alcohol  .  It is also related to or classified as diol  . It is also related to or classified as enone  . It is also related to or classified as resolvin , hydroxy polyunsaturated fatty acid , oxo fatty acid .
The molecule CC(C)(CC1=CC=C(C=C1)OC)NC[C@@H](C2=C3C(=CC(=C2)O)NC(=O)CO3)O is a member of the class of benzoxazine that is 6-hydroxy-1,4-benzoxazin-3-one in which the hydrogen at position 4 is replaced by a (1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl group. Used (as its hydrochloride salt) for long-term treatment of airflow obstruction in patients with chronic obstructive pulmonary disease including chronic bronchitis and/or emphysema. It has a role as a beta-adrenergic agonist and a bronchodilator agent. It is a benzoxazine, a member of phenols, an aromatic ether, a secondary alcohol and a secondary amino compound. It is a conjugate base of an olodaterol(1+).
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C/C=C/C=C/CCCC)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C/C=C/C=C/CCCC)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate functions of (3E,5E)-deca-3,5-dienoyl-CoA; major microspecies at pH 7.3. It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  . It is also related to or classified as medium-chain fatty acyl-CoA(4-)  .
The molecule C12=C3C4=C(C=CC(=C4O)OC)C[C@@]1([N+](CCC2=CC(=C3O)OC)(C)C)[H] C12=C3C4=C(C=CC(=C4O)OC)C[C@@]1([N+](CCC2=CC(=C3O)OC)(C)C)[H] is an aporphine alkaloid that is (S)-corytuberine in which the nitrogen has been quaternised by an additional methyl group. It has the role of plant metabolite . Its functional parent is (S)-corytuberine .  It is also related to or classified as quaternary ammonium ion  . It is also related to or classified as aporphine alkaloid .
The molecule COC1=CC(=CNNC2=C3C4=C(CCC4)SC3=NC=N2)C=CC1=O COC1=CC(=CNNC2=C3C4=C(CCC4)SC3=NC=N2)C=CC1=O is 4-[(7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-ylhydrazo)methylidene]-2-methoxy-1-cyclohexa-2,5-dienone. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule C[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)[C@@H](C[C@H]1O)OC(C)=O C[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)[C@@H](C[C@H]1O)OC(C)=O is A glycosylmannose derivative in which 2-O-acetyl-alpha-D-abequopyranose is linked alpha(1->3) to alpha-D-mannopyranose. It is also related to or classified as glycosylmannose derivative .
The molecule CC(O)(CC(=O)C([O-])=O)C([O-])=O CC(O)(CC(=O)C([O-])=O)C([O-])=O is an oxo dicarboxylic acid dianion resulting from deprotonation of both carboxy groups of 4-hydroxy-4-methyl-2-oxoglutaric acid; major species at pH 7.3. It is also related to or classified as oxo dicarboxylic acid dianion .
The molecule C1=CC=C(C=C1)C/C(=N/O)/C(=O)O is a ketoxime obtained by condensation of the keto group of phenylpyruvic acid with hydroxylamine. It is a ketoxime and a monocarboxylic acid. It derives from a keto-phenylpyruvic acid.
The molecule [H][C@]12CC[C@]3(C)[C@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 [H][C@]12CC[C@]3(C)[C@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 is an estradiol that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17 (the 17alpha stereoisomer). It has the role of geroprotector . It has the role of estrogen . It is also related to or classified as estradiol  . It is also related to or classified as 17alpha-hydroxy steroid , 3-hydroxy steroid .
The molecule C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=CC[C@H]5O)OCO4 is an indolizidine alkaloid that is galanthan substituted by analpha-hydroxy group at position 1 and a methylenedioxy group across position 9 and 10. An alkaloid commonly found in the members of the family amaryllidaceae. It has a role as a plant metabolite. It is an indolizidine alkaloid, an organic heteropentacyclic compound and a secondary alcohol. It derives from a hydride of a galanthan.
The molecule CCNc1nc(NCC)nc(OC)n1 CCNc1nc(NCC)nc(OC)n1 is A methoxy-1,3,5-triazine that is  6-methoxy-1,3,5-triazine-2,4-diamine in which one of the hydrogens of each amino group has been replaced by an ethyl group. It has the role of herbicide . It has the role of xenobiotic . It has the role of environmental contaminant . Its functional parent is 6-methoxy-1,3,5-triazine-2,4-diamine . It is also related to or classified as diamino-1,3,5-triazine , methoxy-1,3,5-triazine .
The molecule CC(C)C[C@@H](C(=O)OC)N is the methyl ester of L-leucine. It is an alpha-amino acid ester, a methyl ester and a L-leucine derivative.
The molecule COc1cc2c3C(=O)C(=O)C(=Cc3ccc2c(C)c1C)C(C)C COc1cc2c3C(=O)C(=O)C(=Cc3ccc2c(C)c1C)C(C)C is A diterpenoid that is phenanthrene-3,4-dione substituted by a methoxy group at position 6, a methyl groups at positions 7 and 8 and an isopropyl group at position 2. A norabietane derivative, it is isolated from Salvia multicaulis and exhibits antitubercular activity. It has the role of metabolite . It has the role of antitubercular agent . It is also related to or classified as diterpenoid  . It is also related to or classified as orthoquinones , phenanthrenes , aromatic ether .
The molecule [H][C@@]12CC(C)(C)C[C@@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([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]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C([O-])=O)[C@](C)(CO)[C@]3([H])CC[C@@]12C [H][C@@]12CC(C)(C)C[C@@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([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]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C([O-])=O)[C@](C)(CO)[C@]3([H])CC[C@@]12C is the monocarboxylic acid anion formed from soyasaponin I. It is the major microspecies present at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as carbohydrate acid derivative anion .
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)C4=CC=C(C=C4)Cl)O is a chlorobenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-chlorobenzoic acid It is a member of monochlorobenzenes and a chlorobenzoyl-CoA. It derives from a benzoyl-CoA and a 4-chlorobenzoic acid. It is a conjugate acid of a 4-chlorobenzoyl-CoA(4-).
The molecule O(C(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C O(C(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C is Methyl Hexacosanoate. It is also related to or classified as fatty acid methyl ester  .
The molecule OC([C@@H](CC[C@H](C)N)N)=O OC([C@@H](CC[C@H](C)N)N)=O is A diamino acid that is hexanoic acid carrying two amino substituents at positions 2 and 5 (the 2R,5S-diastereomer). Its functional parent is D-norleucine . It is also related to or classified as diamino acid .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](CO)OCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a monoglyceride that is 1-oleoyl-sn-glycerol in which the hydroxyl hydrogen at position 2 is replaced by an arachidonyl group. It is an ether lipid and a monoacylglycerol. It derives from an oleic acid.
The molecule [H]C(=O)C1=CC2=C(C(OC)=C(O)C=C2)[C@@]([H])([C@H]1CO)C1=CC(OC)=C(OC)C=C1 [H]C(=O)C1=CC2=C(C(OC)=C(O)C=C2)[C@@]([H])([C@H]1CO)C1=CC(OC)=C(OC)C=C1 is A member of the class of dihydronaphthalenes that is 3,4-dihydronaphthalene-2-carbaldehyde substituted by hydroxymethyl, 3,4-dimethoxyphenyl, methoxy, and hydroxy groups at positions 3R, 4S, 5, and 6, respectively. It is a natural product isolated from Vitex trifolia that exhibits anti-cancer properties. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as aldehyde  . It is also related to or classified as dimethoxybenzene , dihydronaphthalenes .
The molecule NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O is an adenosine 3'-phosphate that is ADP carrying a phospate group at the 3'-position. It is potent inhibitor of bovine pancreatic ribonuclease A. Its functional parent is ADP . It is also related to or classified as adenosine 5'-phosphate , adenosine 3'-phosphate .
The molecule COC1=CC=CC=C1C#CC2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CCCCN4[C@H]3CO)C(=O)C5CCC5 COC1=CC=CC=C1C#CC2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CCCCN4[C@H]3CO)C(=O)C5CCC5 is cyclobutyl-[(8R,9R,10R)-10-(hydroxymethyl)-9-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@]12C[C@@H](O)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 [H][C@]12C[C@@H](O)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 is A benzazepine alkaloid isolated from certain species of daffodils. It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of cholinergic drug . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of antidote to curare poisoning . It has the role of plant metabolite . It is also related to or classified as organic heterotetracyclic compound , benzazepine alkaloid , benzazepine alkaloid fundamental parent , tertiary amino compound .
The molecule CC(C)c1cc2ccc3c(C)c(C)ccc3c2cc1O CC(C)c1cc2ccc3c(C)c(C)ccc3c2cc1O is A diterpenoid that is multicaulin in which the methoxy group at position 12 is replaced by a hydroxy group. A norabietane derivative, it is isolated from the roots of Salvia multicaulis and exhibits antitubercular activity. It has the role of metabolite . It has the role of antitubercular agent . It is also related to or classified as diterpenoid  .  It is also related to or classified as phenols  . It is also related to or classified as phenanthrenes .
The molecule Cc1nc(sc1CCOP(O)(O)=O)C(O)=O Cc1nc(sc1CCOP(O)(O)=O)C(O)=O is 1,3-Thiazole substituted at C-2, -4 and -5 with carboxy, methyl and 2-(phosphonooxy)ethyl groups respectively. It is a conjugate acid of 2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate(3-) . It is also related to or classified as monoalkyl phosphate , 1,3-thiazoles .
The molecule CN1C[C@@H](C[C@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5 is an ergoline alkaloid that is the N-benzyloxycarbonyl derivative of lysergamine. A 5-HT2 antagonist. Also 5-HT1 antagonist and 5-HT1D ligand. Has moderate affinity for 5-HT6 and high affinity for 5-HT7. It has a role as a serotonergic antagonist and a dopamine agonist. It is an ergoline alkaloid and a carbamate ester.
The molecule CCS(=O)(=O)N1[C@@H]([C@H](C12CN(C2)C(=O)C3CCCCC3)C4=CC=CC=C4)CO CCS(=O)(=O)N1[C@@H]([C@H](C12CN(C2)C(=O)C3CCCCC3)C4=CC=CC=C4)CO is cyclohexyl-[(2S,3R)-1-ethylsulfonyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O is an aryl beta-D-glucoside that is salicyl alcohol in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue. It has the role of metabolite . It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of antipyretic . It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor . It has the role of prodrug . Its functional parent is salicyl alcohol .   It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as benzyl alcohols , aryl beta-D-glucoside .
The molecule CC(C)[C@H]1CC[C@@]2([C@@H]3[C@H]1[C@H](C2=C)CC3)C is a sesquiterpene that is octahydro-1H-1,4-methanoindene bearing methyl, isopropyl and methylene substituents at positions 4, 7 and 8 respectively (the 1R,3aS,4R,7R,7aR-isomer). It is a sesquiterpene and a bridged compound.
The molecule C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(C)=C2 C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(C)=C2 is A sesquiterpene alkaloid isolated from a club moss Huperzia serrata that has been shown to exhibit neuroprotective activity. It is also an effective inhibitor of acetylcholinesterase and has attracted interest as a therapeutic candidate for Alzheimer's disease. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of neuroprotective agent . It has the role of nootropic agent . It has the role of plant metabolite . It is also related to or classified as sesquiterpene alkaloid , organic heterotricyclic compound , pyridone , primary amino compound .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCC(=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 a polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA It is a polyunsaturated fatty acyl-CoA(4-), a 3-substituted propionyl-CoA(4-) and a (7Z,10Z,13Z,16Z)-docosatetraenoyl derivative. It is a conjugate base of a (7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA.
The molecule C1[C@H]([C@H](C2=C(O1)C=C(C=C2)O)O)C3=C(C=C(C=C3)O)O is a member of the class of hydroxyisoflavans that is isoflavan-4-ol which is substituted at positions 7, 2' and 4' by hydroxy groups (the 3R,4R stereoisomer). It is a member of hydroxyisoflavans and a member of resorcinols.
The molecule C=1(C=CC=CC1)\C=C\C(=O)O[C@@H]2[C@@H]([C@@H]3[NH+]([C@@H](C2)CC3)C)C(OC)=O C=1(C=CC=CC1)\C=C\C(=O)O[C@@H]2[C@@H]([C@@H]3[NH+]([C@@H](C2)CC3)C)C(OC)=O is major species at pF 7.3. It is a conjugate acid of Cinnamoylcocaine . It is also related to or classified as ammonium ion derivative , tropane alkaloid .
The molecule CC(=O)NC1=CC=C(C=C1)OC(=O)CSC2=NC(=NS2)SC CC(=O)NC1=CC=C(C=C1)OC(=O)CSC2=NC(=NS2)SC is 2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetic acid (4-acetamidophenyl) ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule COc1cc2c(ccc3c(C)c(C)ccc23)cc1C(C)C COc1cc2c(ccc3c(C)c(C)ccc23)cc1C(C)C is A diterpenoid that is phenanthrene substituted by a methoxy group at position 6, methyl groups at position 1 and 2 and an isopropyl group at position 7. A norabietane derivative, it is isolated from the roots of Salvia multicaulis and exhibits antitubercular activity. It has the role of metabolite . It has the role of antitubercular agent . It is also related to or classified as diterpenoid  . It is also related to or classified as phenanthrenes , aromatic ether .
The molecule [H][C@@]12CC(C)(C)C[C@@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([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([O-])=O)[C@](C)(CO)[C@]3([H])CC[C@@]12C [H][C@@]12CC(C)(C)C[C@@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([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([O-])=O)[C@](C)(CO)[C@]3([H])CC[C@@]12C is the monocarboxylic acid anion formed by removal of a proton from the carboxy group of soyasaponin III. It is the major microspecies present at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as carbohydrate acid derivative anion .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O is a triterpenoid saponin that is the tetrasaccharide derivative of oleanolic acid. Isolated from the roots of Pulsatilla chinensis, it exhibits antineoplastic activity. It has a role as an antineoplastic agent and a plant metabolite. It is a pentacyclic triterpenoid, a tetrasaccharide derivative and a triterpenoid saponin. It derives from an oleanolic acid. It derives from a hydride of an oleanane.
The molecule C(CCCO)CC1C(C/C=C\C/C=C\C/C=C\CCCC(O)=O)O1 C(CCCO)CC1C(C/C=C\C/C=C\C/C=C\CCCC(O)=O)O1 is an epoxy(hydroxy)icosatrienoic acid that is (5Z,8Z,11Z)-icosatrienoic acid having the epoxide group across positions 14-15 and the hydroxy substituent located at position 20. Its functional parent is arachidonic acid . It is a conjugate acid of 14,15-epoxy-20-hydroxy-(5Z,8Z,11Z)-icosatrienoate .  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as epoxy(hydroxy)icosatrienoic acid .
The molecule C1=C(C=C(C(=C1Br)[O-])Br)C(=O)O is a monohydroxybenzoate. It derives from a benzoate and a 2,6-dibromophenol. It is a conjugate base of a 3,5-dibromo-4-hydroxybenzoic acid.
The molecule OC(=O)[C@@H]1N=C1\C=C\CCCCCCCCCC=C(Br)Br OC(=O)[C@@H]1N=C1\C=C\CCCCCCCCCC=C(Br)Br is A 2H-azirine that is 2H-azirene-2-carboxylic acid substituted by a 13,13-dibromotrideca-1,12-dien-1-yl group at position 3 (the 2R stereoisomer). It is isolated from the marine sponge Siliquariaspongia sp. and exhibits antibacterial properties. It has the role of metabolite . It has the role of antibacterial agent . Its functional parent is 2H-azirine .  It is also related to or classified as organobromine compound  . It is also related to or classified as monocarboxylic acid .
The molecule CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 is an organic triphosphate formed by condensation between the gamma-phospho group of adenosine 5'-triphosphate and ethanol. Its functional parent is ATP . Its functional parent is ethanol . It is also related to or classified as organic triphosphate .
The molecule CC(C)(C)NC[C@H](O)COc1cccc2C(O)CCCc12 CC(C)(C)NC[C@H](O)COc1cccc2C(O)CCCc12 is dihydrolevobunolol. Its functional parent is levobunolol . It is also related to or classified as propanolamine  .
The molecule O[C@H](COP([O-])([O-])=O)[C@@H](O)c1c[nH]cn1 O[C@H](COP([O-])([O-])=O)[C@@H](O)c1c[nH]cn1 is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule O(P(OCC[N+](C)(C)C)(=O)[O-])C[C@@H]([C@@H](/C=C/CCCCCCCCC(CC)C)O)NC(CCCCCCCCCCCCCCCCCCCCC)=O O(P(OCC[N+](C)(C)C)(=O)[O-])C[C@@H]([C@@H](/C=C/CCCCCCCCC(CC)C)O)NC(CCCCCCCCCCCCCCCCCCCCC)=O is A sphingomyelin 39:1 obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of 14-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is docosanoic acid . Its functional parent is 14-methylhexadecasphingosine . It is also related to or classified as sphingomyelin 39:1  .
The molecule CC1=CC(=CC2=C1C(=CC(=O)O2)[O-])O is an organic anion that is the conjugate base of 4,7-dihydroxy-5-methylcoumarin, obtained by deprotonation of the 4-hydroxy group. It is the major microspecies at pH 7.3. It is a conjugate base of a 4,7-dihydroxy-5-methylcoumarin.