anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H](CC/C=C(/C)\\C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@H]([C@]3(C4)CCC(=O)O)C(=C)C)C)C is a tetracyclic triterpenoid that is 3,4-secocycloarta-4(28),24-(Z)-diene substituted by carboxy groups at positions 3 and 26. Isolated from Schisandra henryi and Schisandra propinqua, it exhibits cytotoxic and anti-HIV activities. It has a role as a metabolite, an antineoplastic agent and a HIV-1 reverse transcriptase inhibitor. It is a tetracyclic triterpenoid and a dicarboxylic acid.
The molecule O[C@@H](CCCCC)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC1=CC(O)=C(O)C=C1 O[C@@H](CCCCC)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC1=CC(O)=C(O)C=C1 is 15-HETE-DA. Its functional parent is dopamine . It is also related to or classified as carboxamide  .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCCCCCCCCC(=O)NN)OC)O)O is a glycoside consisting of an alpha-L-rhamnosyl residue glycosidically linked to an 8-hydrazinocarbonyloctyl group and which carries at O-2 a methyl substituent. It is a glycoside and a carbohydrazide. It derives from an alpha-L-rhamnopyranose.
The molecule CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@@H]3O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC(=O)/C(=C/C)/C)O)OC(=O)[C@@H](C)CC)O[C@@H]7[C@H]([C@@H]([C@H](O[C@H]7O1)C)O)O)CO)O)CO)O)O is a resin glycoside that is the hexasaccharide derivative of jalapinolic acid. It has been isolated from Calystegia soldanella. It has a role as a metabolite. It is a macrocyclic lactone, a hexasaccharide derivative and a resin glycoside. It derives from a tiglic acid and a jalapinolic acid.
The molecule CCCc1nn(C)c(C(N)=O)c1N CCCc1nn(C)c(C(N)=O)c1N is A multi-substituted pyrazolecarboxamide used in the industrial synthesis of sildenafil.  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as pyrazoles .
The molecule CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@H]4COP(=O)(O4)O)O)O is a flavin mononucleotide that is riboflavin (vitamin B2) in which the 4' and 5' hydroxy groups have been converted into a cyclic hydrogen phosphate ester. It has a role as a metabolite. It is a ribitol phosphate and a flavin mononucleotide. It derives from a riboflavin. It is a conjugate acid of a riboflavin cyclic 4',5'-phosphate(2-).
The molecule N1(N=C(N(C1=O)N)C(C)C)C(=O)NC(C)(C)C N1(N=C(N(C1=O)N)C(C)C)C(=O)NC(C)(C)C is A member of the class of triazoles that is 4,5-dihydro-1H-1,2,4-triazol-5-one which is substituted at position 1 by a tert-butylaminocarbonyl group and at position 3 by an isopropyl group. A selective herbicide for pre- and post-emergence control of annual dicotyledonous weeds and grasses, it is not approved for use within the European Union. It has the role of herbicide . It is also related to or classified as carbohydrazide  . It is also related to or classified as triazoles .
The molecule CCOc1ccc(cc1C(O)=O)S(=O)(=O)N1CCN(C)CC1 CCOc1ccc(cc1C(O)=O)S(=O)(=O)N1CCN(C)CC1 is A 4-ethoxy-3-carboxybenzenesulfonamide in which the sulfonamide nitrogen is a member of a piperazine ring. Its functional parent is benzoic acid .  It is also related to or classified as sulfonamide  . It is also related to or classified as piperazines .
The molecule CC1=NC2=C(C(=O)N1C(=O)C)[C@]3(C4=C(C(=CC=C4)F)N(C3=O)CC=C)C5=C(O2)C6=C(C=CC(=C6)F)OC5=O is an organic heterohexacyclic compound and spirooxindole-type pyranopyrimidine spiro compound in which the shared atom of the spiro system is the carbon at position 3 of 1-allyl-7-fluoro-1,3-dihydro-2H-indol-2-one. It has a role as an antineoplastic agent. It is an organic heterohexacyclic compound, an organofluorine compound, a spiro compound and a member of oxindoles.
The molecule CSCCC(O)=O CSCCC(O)=O is A thia fatty acid acid consisting of propionic acid with a methylthio substituent at the 3-position; an intermediate in mammalian methionine metabolism in vitro. The simplest known phytotoxin, it is a blight-inducing toxin produced by the cassava pathogen Xanthomonas campestris manihotis. It has the role of phytotoxin . Its functional parent is propionic acid . It is a conjugate acid of 3-(methylthio)propionate . It is also related to or classified as thia fatty acid .
The molecule CC(=O)N[C@@H](Cc1ccc(O)c(c1)\N=N\c1ccccc1)C(=O)NCC(=O)NCC(O)=O CC(=O)N[C@@H](Cc1ccc(O)c(c1)\N=N\c1ccccc1)C(=O)NCC(=O)NCC(O)=O is A tripeptide consisting of AcTyrGlyGly with a phenyldiazenyl substituent at the 3-position on the tyrosine phenyl ring. It is also related to or classified as tripeptide  . It is also related to or classified as monoazo compound .
The molecule CCCCCCCCCCCCCCCc1cc(O)cc(O)c1 CCCCCCCCCCCCCCCc1cc(O)cc(O)c1 is resorcinol substituted at position 5 by a pentadecyl chain. It has the role of EC 1.1.5.3 (glycerol-3-phosphate dehydrogenase) inhibitor . It is also related to or classified as 5-alkylresorcinol  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]3[C@H]([C@H](OC([C@@H]3O)O)CO)O)CO)CO)O)O is a linear amino trisaccharide consisting of N-acetyl-beta-Dglucosamine, alpha-D-galactose and D-galactose residues joined in sequence by (1->4) and (1->3)linkages respectively.
The molecule C/C=C/C(=O)C1=C(C=CCC1(C)C)C is a cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group. It has a role as a fragrance, a volatile oil component and a plant metabolite. It is an enone, an apo carotenoid monoterpenoid and a cyclic monoterpene ketone.
The molecule CCOC1=CC=CC=C1OCCN[C@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N is a 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide that has (R)-configuration. A specific alpha1 adrenoceptor antagonist used (generally as its hydrochloride salt, tamsulosin hydrochloride) in the treatment of prostatic hyperplasia, chronic prostatitis, urinary retention, and help with the passage of kidney stones. It has a role as an alpha-adrenergic antagonist and an antineoplastic agent. It is a conjugate base of a tamsulosin(1+). It is an enantiomer of an ent-tamsulosin.
The molecule C(C(O)=O)C(CCCC)O C(C(O)=O)C(CCCC)O is A 3-hydroxy fatty acid that is heptanoic acid in which one of the hydrogens at position 3 is replaced by a hydroxy group. Its functional parent is heptanoic acid . It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as 3-hydroxy fatty acid  .
The molecule C([C@H]([C@H](C(=O)[C@H](C(=O)O)O)O)O)O is a ketoaldonic acid that is D-gluconic acid in which the hydroxy group at position 3 has been oxidised to the corresponding ketone. It is a keto-D-gluconic acid, a 3-oxo monocarboxylic acid and a hydroxy monocarboxylic acid. It derives from a D-gluconic acid. It is a conjugate acid of a 3-dehydro-D-gluconate.
The molecule C1=C(C=[N+](C(=C1CCC(C(=O)O)N)CCCC(C(=O)O)N)CCCCC(C(=O)O)N)CCC(C(=O)O)N is a pyridinium ion obtained by formal condensation of four molecules of lysine. It has a role as a biomarker. It is a pyridinium ion and a lysine derivative.
The molecule OC(=O)c1c(C(O)=O)c(C(O)=O)c(C(O)=O)c(C(O)=O)c1C(O)=O OC(=O)c1c(C(O)=O)c(C(O)=O)c(C(O)=O)c(C(O)=O)c1C(O)=O is A benzene-derived hexacarboxylic acid in which each carbon of benzene carries a carboxy substituent. It is a conjugate acid of mellitic acid hexaanion . It is also related to or classified as hexacarboxylic acid .
The molecule C[C@]12CCC=C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C is an androstanoid that is (5alpha)-androst-3-ene substituted by an oxo group at position 5. It has a role as a human metabolite. It is a 17-oxo steroid and an androstanoid.
The molecule C(C(=O)O)NCC(=O)O is an amino dicarboxylic acid that is glycine in which one of the hydrogens attached to the nitrogen is substituted by a carboxymethyl group. It has a role as a chelator. It is a glycine derivative, an amino dicarboxylic acid and a non-proteinogenic alpha-amino acid. It is a conjugate acid of an iminodiacetate.
The molecule O=C(OC)C1=C(OC)C(=CC=C1OC2=C(O)C=C(C)C=C2C=O)[C@@H](OC)CC(C)C O=C(OC)C1=C(OC)C(=CC=C1OC2=C(O)C=C(C)C=C2C=O)[C@@H](OC)CC(C)C is Tenellic acid A methyl ester. It is also related to or classified as aromatic ether .
The molecule C=1(C(=NC=CC1)Cl)C(NC=2C(=CC(=CC2)SCC(NC(=O)C)C(=O)O)C3=CC=C(C=C3)Cl)=O C=1(C(=NC=CC1)Cl)C(NC=2C(=CC(=CC2)SCC(NC(=O)C)C(=O)O)C3=CC=C(C=C3)Cl)=O is Mercapturic conjugation of Boscalid. Its functional parent is boscalid . It is also related to or classified as biphenyls , pyridinecarboxamide , monochlorobenzenes .
The molecule CN1CCC(=C2C3=CC=CC=C3CCC4=C2N=CC=C4)CC1 is a benzo[5,6]cyclohepta[1,2-b]pyridine having a 1-methylpiperidin-4-ylidene group at the 11-position. It has a role as a H1-receptor antagonist and an anti-allergic agent. It is a benzocycloheptapyridine and a tertiary amine.
The molecule C=1(C(=NC=CC1)Cl)C(NC=2C(=CC(=CC2)OC3C(C(C(C(O3)C)O)O)C(=O)O)C4=CC=C(C=C4)Cl)=O C=1(C(=NC=CC1)Cl)C(NC=2C(=CC(=CC2)OC3C(C(C(C(O3)C)O)O)C(=O)O)C4=CC=C(C=C4)Cl)=O is Boscalid Glc ac a and b. Its functional parent is boscalid . It is also related to or classified as biphenyls , pyridinecarboxamide , monochlorobenzenes .
The molecule C1=CN=C(N=C1C(=O)S)C(=O)S is a member of the class of pyrimidines that is pyrimidine which is substituted by hydroxycarbonothioyl groups at positions 2 and 4. It is a monothiocarboxylic acid and a member of pyrimidines.
The molecule [H]C(=O)N[C@@H]1C(=O)N2[C@@H](C([O-])=O)C(C)(C)S[C@]12[H] [H]C(=O)N[C@@H]1C(=O)N2[C@@H](C([O-])=O)C(C)(C)S[C@]12[H] is A monocarboxylic acid anion that is the conjugate base of 6-formamidopenicillanic acid, formed by proton loss from the carboxy group.  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as penamcarboxylate .
The molecule CC1=C([C@@]([C@@H](C[C@H]1O)C(=C)C)(C)CCC(=O)OC)CC[C@H]2C(=C)CC[C@@H]3[C@@]2(CCC(=O)C3(C)C)C is a triterpenoid of the class of onoceranoid-type terpenoids isolated from the twigs of Lansium domesticum. It has a role as a plant metabolite and an antibacterial agent. It is a cyclic terpene ketone, a secondary alcohol, a triterpenoid and a methyl ester.
The molecule C=1(N=C(C(=CC1Cl)Cl)Cl)O C=1(N=C(C(=CC1Cl)Cl)Cl)O is A hydroxypyridine that is pyridin-2-ol substituted by chloro groups at positions 3,5 and 6. It is a metabolite of the agrochemical chlorpyrifos. It has the role of human xenobiotic metabolite . It has the role of human urinary metabolite . It is also related to or classified as hydroxypyridine , chloropyridine .
The molecule C1(=C(C(C2=C(C=C(C=C2O1)O)O)=O)O[C@H]3[C@H](O)[C@H]([C@@H]([C@@H](CO)O3)O)O)C=4C=CC(O)=CC4 C1(=C(C(C2=C(C=C(C=C2O1)O)O)=O)O[C@H]3[C@H](O)[C@H]([C@@H]([C@@H](CO)O3)O)O)C=4C=CC(O)=CC4 is A kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage. It has the role of trypanocidal drug . It has the role of plant metabolite . It is a conjugate acid of kaempferol 3-O-beta-D-glucoside(1-) . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as trihydroxyflavone , monosaccharide derivative , kaempferol O-glucoside .
The molecule C1[C@@H](N=C(S1)C2=CNC3=CC=CC=C32)C(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of (S)-dihydrocamalexic acid, obtained by deprotonation of the carboxy group. It is a conjugate base of a (S)-dihydrocamalexic acid. It is an enantiomer of a (R)-dihydrocamalexate.
The molecule CC(=O)N[C@@H](CCCC(=O)C([O-])=O)C([O-])=O CC(=O)N[C@@H](CCCC(=O)C([O-])=O)C([O-])=O is dicarboxylate anion of (S)-2-acetamido-6-oxopimelic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion  .
The molecule O=C1OC(CC=2C1=C(O)C3=C(O)C=C(OC)C(=C3C2)C4=C(OC)C=C(O)C=5C4=CC=6CC(C)OC(C6C5O)=O)C[C@H](O)C O=C1OC(CC=2C1=C(O)C3=C(O)C=C(OC)C(=C3C2)C4=C(OC)C=C(O)C=5C4=CC=6CC(C)OC(C6C5O)=O)C[C@H](O)C is Pigmentosin B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1=CC(=CC=C1CCC(=O)/C=C/C=C/C2=CC=C(C=C2)O)O is a diarylheptanoid that is 4E-6E-dien-3-one substituted by 4-hydroxyphenyl group at positions 1 and 7. It has been isolated from the rhizomes of Curcuma kwangsiensis. It has a role as a plant metabolite. It is a diarylheptanoid, a member of phenols and an enone.
The molecule CCCC(=O)SCC[N+](C)(C)C CCCC(=O)SCC[N+](C)(C)C is A quaternary ammonium ion obtained by the formal condensation of the carboxy group of butyric acid with the thiol group of thiocholine. It is used as a reagent for determination of butyrylcholinesterase activity. It is also related to or classified as quaternary ammonium ion  .
The molecule C(O)(=O)CCCCCCC[C@H]1C(=C(/C=C\CCCCC)[H])O1 C(O)(=O)CCCCCCC[C@H]1C(=C(/C=C\CCCCC)[H])O1 is an epoxy fatty acid that is oxirane substituted by a (2Z)-oct-2-en-1-ylidene group and a 7-carboxyheptyl group at positions 2 and 3, respectively. Its functional parent is linoleic acid . It is a conjugate acid of (9S),10-epoxy-(10,12Z)-octadecadienoate . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as polyunsaturated fatty acid , epoxy fatty acid .
The molecule CC(C)CCCC(C)CCCC(C)CCC(O)=O CC(C)CCCC(C)CCCC(C)CCC(O)=O is A methyl-branched fatty acid consisting of tridecanoic acid having methyl substituents at positions 4, 8 and 12. It is also related to or classified as long-chain fatty acid  . It is also related to or classified as methyl-branched fatty acid .
The molecule CCCCC[C@H](/C=C/C=C\\C=C\\C=C\\[C@H]([C@H](CCCC(=O)O)O)O)O is a C20 hydroxy polyunsaturated fatty acid having (5S)-, (6R)- and (15R)-hydroxy groups as well as (7E)- (9E)-, (11Z)- and (13E)-double bonds. It has a role as a metabolite. It is a lipoxin, a long-chain fatty acid and a hydroxy polyunsaturated fatty acid.
The molecule O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC4(C3(O)C(=O)CC(C)C4)O[C@H]5O[C@@H]([C@H](O[C@H]6O[C@@H]([C@H](O)[C@@H](C6)O)C)[C@@H](C5)N(C)C)C)[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O)C O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC4(C3(O)C(=O)CC(C)C4)O[C@H]5O[C@@H]([C@H](O[C@H]6O[C@@H]([C@H](O)[C@@H](C6)O)C)[C@@H](C5)N(C)C)C)[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O)C is JBIR-91.  It is also related to or classified as glycoside  . It is also related to or classified as anthraquinone .
The molecule [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O is A penicillin in which the substituent at position 6 of the penam ring is a (2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido group. Its functional parent is ampicillin .  It is also related to or classified as penicillin  . It is also related to or classified as penicillin allergen .
The molecule CCCCCCCCCCCCCCCCCCCCC[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 that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3R)-3-hydroxytetracosanoic acid [(R)-3-hydroxylignoceric acid]. It is a (R)-3-hydroxyacyl-CoA, a 3-hydroxy fatty acyl-CoA and a very long-chain fatty acyl-CoA. It is a conjugate acid of a (3R)-3-hydroxytetracosanoyl-CoA(4-).
The molecule C1=C(NN=C1)CCN is pyrazole in which a hydrogen adjacent to one of the nitrogen atoms is substituted by a 2-aminoethyl group. It is a histamine H2-receptor agonist used clinically to test gastric secretory function. It has a role as a histamine agonist, a diagnostic agent and a gastrointestinal drug. It is a member of pyrazoles and a primary amino compound.
The molecule C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O is the D-threo-diastereomer of isocitric acid. It is a conjugate acid of a D-threo-isocitrate(3-). It is an enantiomer of a L-threo-isocitric acid.
The molecule CC(C)CC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)C4=CC=CC=N4 CC(C)CC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)C4=CC=CC=N4 is (6R,7S,8S)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-[oxo(2-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule OC1=CC(=O)OC(\C=C\C2=CC=C(O)C(O)=C2)=C1 OC1=CC(=O)OC(\C=C\C2=CC=C(O)C(O)=C2)=C1 is fungal metabolite first found in basidiomycete Inonotus hispidus (formerly Polyporus hispidus). It has the role of antioxidant . It has the role of EC 2.7.11.13 (protein kinase C) inhibitor . It has the role of fungal metabolite . It is a conjugate acid of hispidin(1-) . It is also related to or classified as catechols  . It is also related to or classified as 2-pyranones .
The molecule C(C(CO/C=C/[C@@H](C(=O)[O-])[NH3+])[NH3+])O is if you can find information about the stereoconfiguration of the second amino group, you are very welcome to add it.
The molecule CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCNCC3 is a secondary carboxamide resulting from the formal condensation of the carboxy group of piperidine-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is an ATP-competitive inhibitor of CDK2, CDK7 and CDK9 kinases and exhibits anti-cancer properties. It has a role as an apoptosis inducer, an antineoplastic agent, an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor and an angiogenesis inhibitor. It is a piperidinecarboxamide, a member of 1,3-oxazoles, a member of 1,3-thiazoles, an organic sulfide and a secondary carboxamide.
The molecule COC(C)(C)C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C COC(C)(C)C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C is the cartenoid ether that is the methyl ether of (3E,13cis)-3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-caroten-1-ol. It is also related to or classified as carotenoid ether .
The molecule CCCN(C)C[C@@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=CC(=C3)C#N)[C@@H](C)CO)C CCCN(C)C[C@@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=CC(=C3)C#N)[C@@H](C)CO)C is 3-[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .
The molecule CCCCCCCCCCCCCCCCCC(=O)NCC(=O)[O-] is an N-acylglycinate resulting from the deprotonation of the carboxy group of N-octadecanoylglycine. The major species at pH 7.3. It is a N-acylglycinate and a N-(fatty acyl)-glycine(1-). It is a conjugate base of a N-octadecanoylglycine.
The molecule CCCCCCCC[C@@H]1OC(=O)C(=C)[C@H]1C(O)=O CCCCCCCC[C@@H]1OC(=O)C(=C)[C@H]1C(O)=O is A 4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid that has 2S,3R-configuration. It is also related to or classified as 4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid  .
The molecule [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C is A 3beta-hydroxy-Delta(5)-steroid that is 3beta-hydroxyandrost-5-ene carrying an additional hydroxy group at position 17beta. It has the role of androgen . It has the role of radiation protective agent . It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 17beta-hydroxy steroid  .
The molecule CC1=C(C(=C(C=C1)CCCCC(=O)O)OC)OC is a monocarboxylic acid consisting of valeric acid having a 2,3-dimethoxy-4-methylphenyl group attached to C-5. It derives from a valeric acid. It is a conjugate acid of a 5-(2,3-dimethoxy-4-methylphenyl)pentanoate.
The molecule C1CCN2[C@H](CN(C1)C(=O)NC3=CC(=CC=C3)F)[C@H]([C@@H]2CO)C4=CC=C(C=C4)C#CC5=CN=CC=C5 C1CCN2[C@H](CN(C1)C(=O)NC3=CC(=CC=C3)F)[C@H]([C@@H]2CO)C4=CC=C(C=C4)C#CC5=CN=CC=C5 is (8S,9R,10R)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C(C[C@H](C(=O)O)N)CN=C(N)N is a D-alpha-amino acid that is the D-isomer of arginine. It has a role as an EC 4.1.1.19 (arginine decarboxylase) inhibitor and a mouse metabolite. It is a D-alpha-amino acid and an arginine. It is a conjugate base of a D-argininium(1+). It is a conjugate acid of a D-argininate. It is an enantiomer of a L-arginine.
The molecule CC(=C)[C@@H]1CC[C@@](OC(=O)C1)(C)O is a (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one that has S configuration at position 7. It derives from a (1S,4R)-1-hydroxylimonen-2-one. It is an enantiomer of a (4S,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C is 4-(dimethylamino)-N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC[C@H](C)/C=C/C1=CC2=CC(=O)[C@@]3(C(=C(C(=O)O3)C(=O)[C@@H](C)[C@@H](C)O)C2=CO1)C is an azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a 3-hydroxy-2-methylbutanoyl group at position 9, a methyl group at position 6a and a 3-methylpent-1-en-1yl group at position 3. It has been isolated from Chaetomium globosum. It has a role as a Chaetomium metabolite. It is a gamma-lactone, an azaphilone, an enone, an organic heterotricyclic compound and a secondary alcohol.
The molecule C1[C@@]([C@H](C(O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)(CO)O is dianion of UDP-D-apiose arising from deprotonation of both OH groups of the diphosphate. It is a conjugate base of an UDP-D-apiose.
The molecule C1CN[C@@H](C1)c1cccnc1 C1CN[C@@H](C1)c1cccnc1 is A pyridine alkaloid that is nicotine lacking the methyl group on the pyrrolidine nitrogen. It has the role of phytogenic insecticide . It has the role of metabolite . It has the role of nicotinic acetylcholine receptor agonist . It is also related to or classified as pyridine alkaloid , pyrrolidine alkaloid .
The molecule C1=CC(=C(C(=C1)O)O)C(=O)NCCCC[C@@H](CN)NC(=O)C2=C(C(=CC=C2)O)O is a member of the class of benzamides obtained by formal condensation of the 1- and 6-amino groups of hexane-1,2,6-triamine with the carboxy groups from two molecules of 2,3-dihydroxybenzoic acid followed by reduction of the amide carbonyl at position 5 to a hydroxy group. It has a role as a siderophore and a bacterial metabolite. It is a member of catechols and a member of benzamides. It derives from a 2,3-dihydroxybenzoic acid.
The molecule O=C1O[C@H](O)C2=C[C@H]3OC([C@@]4([C@H]3[C@@](C2=C1)(CC[C@H]4O)C)C)=O O=C1O[C@H](O)C2=C[C@H]3OC([C@@]4([C@H]3[C@@](C2=C1)(CC[C@H]4O)C)C)=O is Oidiolactone K. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1C2(CN1C(=O)CC3=CC=CC=N3)[C@@H]([C@H](N2C(=O)C4=CN=CC=C4)CO)C5=CC=CC=C5 C1C2(CN1C(=O)CC3=CC=CC=N3)[C@@H]([C@H](N2C(=O)C4=CN=CC=C4)CO)C5=CC=CC=C5 is 1-[(2S,3R)-2-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-(2-pyridinyl)ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoic acid. It is an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It derives from a (23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoic acid. It is a conjugate acid of a (23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA(4-).