anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@@]1(CN2CC[C@@]34C(Nc5ccccc35)=C(C(=O)OC)[C@@]1([H])C[C@]24[H])[C@@H](C)OC(=O)OCC [H][C@@]1(CN2CC[C@@]34C(Nc5ccccc35)=C(C(=O)OC)[C@@]1([H])C[C@]24[H])[C@@H](C)OC(=O)OCC is (-)-Alstolucine A, (rel)-. It has the role of metabolite . It is also related to or classified as alkaloid  . It is also related to or classified as methyl ester  . It is also related to or classified as organic heteropentacyclic compound .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCCCCCCCCCCCCC/C=C(\\C)/C(=O)O)O)O is an (omega-1)-hydroxy fatty acid ascaroside obtained by obtained by formal condensation of the alcoholic hydroxy group of (2E,24R)-2-methylpentacos-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an (omega-1)-hydroxy fatty acid ascaroside and an alpha,beta-unsaturated monocarboxylic acid.
The molecule [H][C@@]12C[C@]([H])(O[C@]1([H])OC=C2)[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@]1([H])[C@@H](C[C@H](O)[C@]21CO1)OC(=O)C(\C)=C\C [H][C@@]12C[C@]([H])(O[C@]1([H])OC=C2)[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@]1([H])[C@@H](C[C@H](O)[C@]21CO1)OC(=O)C(\C)=C\C is A diterpenoid isolated from the aerial parts of Ajuga reptans. It has the role of plant metabolite .  It is also related to or classified as diterpenoid  . It is also related to or classified as secondary alcohol  . It is also related to or classified as acetate ester  .   It is also related to or classified as carboxylic ester  . It is also related to or classified as spiro-epoxide , furofuran , cyclic acetal .
The molecule C[C@@H]1C(=O)C[C@@H]2[C@]13CC(C[C@H]3C=C2C(=O)[O-])(C)C is a 5-oxo monocarboxylic acid anion that is the conjugate base of 1-deoxy-11-oxopentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 1-deoxy-11-oxopentalenic acid.
The molecule OCC(CC(=O)c1ccc2OCOc2c1)C(=O)c1ccc2OCOc2c1 OCC(CC(=O)c1ccc2OCOc2c1)C(=O)c1ccc2OCOc2c1 is Justiflorinol. It has the role of metabolite . It is also related to or classified as phenylpropanoid .
The molecule [Cu+] [Cu+] is copper(1+). It has the role of cofactor .  It is also related to or classified as monoatomic monocation  . It is also related to or classified as copper cation .
The molecule CC(C)C1=C(C2=C(C=C1)[C@]3(CCC4=C([C@@H]3CC2)COC4=O)C)OC is a tetracyclic diterpenoid with formula C21H26O3, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite. It is a gamma-lactone, an aromatic ether, an organic heterotetracyclic compound and a tetracyclic triterpenoid.
The molecule C[C@@]1(C[C@@]([H])([C@]2(COC(C)=O)[C@@]([C@@]([H])([C@]([H])(C([H])(C32CO3)O)O)O)([H])[C@@]1(C)C4(C[C@]5(CCO[C@@]5([H])O4)[H])[H])OC(C)=O)[H] C[C@@]1(C[C@@]([H])([C@]2(COC(C)=O)[C@@]([C@@]([H])([C@]([H])(C([H])(C32CO3)O)O)O)([H])[C@@]1(C)C4(C[C@]5(CCO[C@@]5([H])O4)[H])[H])OC(C)=O)[H] is derivative of Areptin A present in adults of Athalia rosae. It is also related to or classified as organic molecular entity .
The molecule COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=C(C(=CC=C3)Cl)O)OC)OC is a dihydroxyflavone that is flavone substituted by a chloro group at position 3', hydroxy groups at positions 5 and 2' and methoxy groups at positions 3, 7 band 8 respectively. It has a role as an Aspergillus metabolite and an antifungal agent. It is a trimethoxyflavone, a dihydroxyflavone and a member of monochlorobenzenes.
The molecule OC[C@@H](Cc1ccc2OCOc2c1)[C@@H](CO)Cc1ccc2OCOc2c1 OC[C@@H](Cc1ccc2OCOc2c1)[C@@H](CO)Cc1ccc2OCOc2c1 is Dihydrocubebin, rel-. It has the role of metabolite . It is also related to or classified as lignan  .
The molecule N1C=C(C(NC1=O)=O)CNCCCCN N1C=C(C(NC1=O)=O)CNCCCCN is an N-substituted putrescine that is thymine in which a hydrogen of the methyl group has been replaced by one of the amino groups of putrescine. It replaces about half of the thymine residues in the DNA of bacetriophage phiW-14. Its functional parent is thymine .  It is also related to or classified as pyrimidine nucleobase  . It is also related to or classified as N-substituted putrescine , pyrimidone , secondary amino compound , tertiary amino compound .
The molecule OC(=O)c1cc(=O)[nH]c2ccccc12 OC(=O)c1cc(=O)[nH]c2ccccc12 is 2-oxo-1,2-dihydroquinoline-4-carboxylic acid. It is a conjugate acid of 2-oxo-1,2-dihydroquinoline-4-carboxylate . It is also related to or classified as quinolinemonocarboxylic acid .
The molecule CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C3C[C@H]4C=CO[C@H]4O3)[C@H]1[C@H](O)[C@@H](O)C(O)C25CO5 CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C3C[C@H]4C=CO[C@H]4O3)[C@H]1[C@H](O)[C@@H](O)C(O)C25CO5 is derivative of Areptin B present in adults of Athalia rosae. It is also related to or classified as organic molecular entity .
The molecule C[C@H]1CC2=C(O1)C3=C(C(=CC=C3)O)C(=O)C2=O is a naphthofuran that is 2,3-dihydronaphtho[1,2-b]furan-4,5-dione substitutd by a hydroxy group at position 6 and a methyl group at position 2. It is isolated from Norcardia sp.TC-A0248 and acts as a protein tyrosine phosphatase inhibitor. It has a role as a metabolite, an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, an antifungal agent and an antimicrobial agent. It is a naphthofuran, a member of phenols and a member of orthoquinones.
The molecule O[C@@H]([C@H]1COC(=O)[C@@H]1Cc1ccc2OCOc2c1)c1ccc2OCOc2c1 O[C@@H]([C@H]1COC(=O)[C@@H]1Cc1ccc2OCOc2c1)c1ccc2OCOc2c1 is A lignan isolated from the leaves Piper sanguineispicum. It has the role of plant metabolite . It is also related to or classified as lignan  . It is also related to or classified as gamma-lactone  . It is also related to or classified as benzodioxoles .
The molecule O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])C=CC=CCC=CCC=CCC=CCC O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])C=CC=CCC=CCC=CCC=CCC is (2E,4Z,7Z,10Z,13Z)-hexadecapentaenoyl-CoA(4-). It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  . It is also related to or classified as (2E,4Z)-dienoyl-CoA(4-)  .
The molecule C1=CN=CC=C1N is an aromatic amine that is pyridine bearing a single amino substituent at position 4. An orphan drug in the US, it is used to improve walking in adults with multiple sclerosis. It has a role as an avicide, a potassium channel blocker and an orphan drug. It is an aromatic amine and an aminopyridine.
The molecule CCCCCCCCC(O)CCCCC CCCCCCCCC(O)CCCCC is A secondary fatty alcohol that is tetradecane substituted by a hydroxy group at position 6. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tetradecanol .
The molecule CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\\C)/CCC(=O)[O-])O.[Na+] is an organic sodium salt that is the sodium salt of mycophenolic acid. An immunosuppressant, it is widely used to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases. It has a role as an EC 1.1.1.205 (IMP dehydrogenase) inhibitor and an immunosuppressive agent. It contains a mycophenolate.
The molecule CC(=O)O[C@@H]([C@@H]1[C@H](COC1=O)C(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1 CC(=O)O[C@@H]([C@@H]1[C@H](COC1=O)C(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1 is A lignan isolated from the leaves of  Piper sanguineispicum. It has the role of plant metabolite . It is also related to or classified as lignan  . It is also related to or classified as gamma-lactone  . It is also related to or classified as benzodioxoles .
The molecule [C@@H]1(N2C=3C(=C(N=CN3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)[C@@H](CCC(=O)[O-])O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C=3C(=C(N=CN3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)[C@@H](CCC(=O)[O-])O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A 2-hydroxyglutaryl-CoA(5-) that results from the removal of all five protons from the phosphate and carboxylic acid groups of (R)-2-hydroxyglutaryl-CoA; major species at pH 7.3. It is also related to or classified as 2-hydroxyglutaryl-CoA(5-)  .
The molecule O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC=CCCC=CCC=CCC=CCC O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC=CCCC=CCC=CCC=CCC is (3E,7Z,10Z,13Z)-hexadecatetraenoyl-CoA(4-). It is also related to or classified as trans-3-enoyl-CoA(4-)  . It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  .
The molecule C1=CC=C(C(=C1)[O-])[O-] is a phenolate anion that is the conjugate base of catecholate(1-). It has a role as a plant metabolite. It is a conjugate base of a catecholate(1-).
The molecule CCCCCCCCCC(O)CCCC CCCCCCCCCC(O)CCCC is A secondary fatty alcohol that is tetradecane substituted by a hydroxy group at position 5. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tetradecanol .
The molecule CCCCCCCCCCCCCCCCCCCCCCC/C=C/C(=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 trans-2-hexacosenoic acid. It has a role as a Saccharomyces cerevisiae metabolite. It is a very long-chain fatty acyl-CoA, a trans-2-enoyl-CoA and a monounsaturated fatty acyl-CoA. It derives from a trans-2-hexacosenoic acid. It is a conjugate acid of a trans-2-hexacosenoyl-CoA(4-).
The molecule COc1ccc(cc1OC)[C@@H](OC(C)=O)[C@H]1COC(=O)[C@@H]1C(=O)c1ccc2OCOc2c1 COc1ccc(cc1OC)[C@@H](OC(C)=O)[C@H]1COC(=O)[C@@H]1C(=O)c1ccc2OCOc2c1 is A  lignan isolated from the leaves of Piper sanguineispicum. It has the role of plant metabolite . It is also related to or classified as lignan  . It is also related to or classified as gamma-lactone  . It is also related to or classified as benzodioxoles .
The molecule [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]([C@@H](C[C@@]21[H])C#N)C(C)=O [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]([C@@H](C[C@@]21[H])C#N)C(C)=O is pregnenolone 16alpha-carbonitrile. Its functional parent is pregnenolone . It is also related to or classified as aliphatic nitrile  .
The molecule [H][C@@]12CC[C@@]3([H])[C@H]4CO[C@H]([C@H]4C(C)C)[C@@]([H])(N(C)C1)[C@@]23C [H][C@@]12CC[C@@]3([H])[C@H]4CO[C@H]([C@H]4C(C)C)[C@@]([H])(N(C)C1)[C@@]23C is dendrobane. It is also related to or classified as sesquiterpene alkaloid , terpene alkaloid fundamental parent .
The molecule CCCCCCCCCCC(O)CCC CCCCCCCCCCC(O)CCC is A secondary fatty alcohol that is tetradecane substituted by a hydroxy group at position 4. It has the role of plant metabolite . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tetradecanol .
The molecule C#CC1(CCCCC1)OC(=O)N is a carbamate ester that is the 1-vinylcyclohexyl ester of carbamic acid. A short-acting sedative-hypnotic, it was formerly used to treat insomnia. It has a role as a sedative. It is a carbamate ester and a terminal acetylenic compound.
The molecule O[C@@H]([C@@H]1COC(=O)[C@@H]1C(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1 O[C@@H]([C@@H]1COC(=O)[C@@H]1C(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1 is A lignan isolated from the leaves of Piper sanguineispicum. It has the role of plant metabolite . It is also related to or classified as lignan  . It is also related to or classified as gamma-lactone  . It is also related to or classified as benzodioxoles .
The molecule CCCCCCCCCCCCCC(=O)OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O is a fatty acyl-AMP(1-) obtained by deprotonation of the phosphate OH group of tetradecanoyl-AMP; major species at pH 7.3. It is a saturated fatty acyl-AMP(1-) and a long-chain fatty acyl-AMP(1-). It is a conjugate base of a tetradecanoyl-AMP.
The molecule CCCCCCCCCCCC(O)CC CCCCCCCCCCCC(O)CC is A secondary fatty alcohol that is tetradecane substituted by a hydroxy group at position 3. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tetradecanol .
The molecule C1=CC2=C(C=C1O)OC(=O)C(=C2O)C3=C(C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O is a beta-D-glucoside in which a beta-D-glucopyranosyl residue is attached at position 4' of asphodelin A via a glycosidic linkage. It is isolated from the roots of Asphodelus microcarpus and exhibits antimicrobial activity against bacteria like Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa and fungal microorganisms like Candida albicans and Botrytis cinerea. It has a role as a metabolite, an antibacterial agent and an antifungal agent. It is a beta-D-glucoside, a hydroxycoumarin and a polyphenol. It derives from an asphodelin A.
The molecule O[C@@H]([C@H]1COC(=O)[C@@H]1C(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1 O[C@@H]([C@H]1COC(=O)[C@@H]1C(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1 is A lignan isolated from the leaves of Piper sanguineispicum. It has the role of plant metabolite . It is also related to or classified as lignan  . It is also related to or classified as gamma-lactone  . It is also related to or classified as benzodioxoles .
The molecule [H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2O [H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2O is isosorbide mononitrate. It has the role of vasodilator agent . It has the role of nitric oxide donor . It is also related to or classified as nitrate ester , glucitol derivative .
The molecule C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C([O-])=O)C([O-])=O C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C([O-])=O)C([O-])=O is A trianionic form of UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysine having anionic carboxylic acid and diphosphate groups and a protonated primary amino group (at the side-chain of the lysine residue; major species at pH7.3. It is also related to or classified as dicarboxylic acid anion , nucleotide-sugar oxoanion .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O is a steroid glucosiduronic acid that is 2-hydroxy-17beta-estradiol having a single beta-D-glucuronic acid residue attached at position 3. It is a steroid glucosiduronic acid, a beta-D-glucosiduronic acid, a 17beta-hydroxy steroid and a 2-hydroxy steroid. It derives from a 2-hydroxy-17beta-estradiol. It is a conjugate acid of a 2-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-).
The molecule C1=CC(=CC=C1C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N C1=CC(=CC=C1C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N is pteropterin is a crystalline conjugate of folic acid, having general properties of a polypeptide. Pteropterin differs from folic acid in that it consists of three molecules of glutamic acid instead of one. It is also related to or classified as organic molecular entity .
The molecule C1=C(N=CC(=O)N1)O is a pyrazine substituted by a hydroxy group at positions 2 and 5. It is a member of pyrazines and a diol.
The molecule CCCCCCC[C@H](C)OC(=O)\C=C\c1ccc(O)c(O)c1 CCCCCCC[C@H](C)OC(=O)\C=C\c1ccc(O)c(O)c1 is an alkyl caffeate ester obtained by the formal condensation of trans-caffeic acid with  nonan-2-ol.  Isolated from the leaves of Piper sanguineispicum, it has been shown to exhibit antileishmanial activity. It has the role of antileishmanial agent . It has the role of plant metabolite . Its functional parent is nonan-2-ol . It is also related to or classified as alkyl caffeate ester  .
The molecule C[C@@H]1[C@H]([C@@H]([C@H]([C@H](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)NC(=O)C)O)NC(=O)C is a nucleotide-sugar oxoanion that is the conjugate base of UDP-N,N'-diacetylbacillosamine, having an anionic diphosphate function; major microspecies present at pH 7.3. It is a conjugate base of an UDP-N,N'-diacetylbacillosamine.
The molecule CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OCCN)C(/C=C/CCCCCCCCC)O CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OCCN)C(/C=C/CCCCCCCCC)O is this compound belongs to the class of organic compounds known as phosphoethanolamines. It is also related to or classified as organic molecular entity .
The molecule C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)CO)O)NC(=O)C)NC(=O)C)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=O)C)O is a linear tetrasaccharide derivative consisting of beta-D-glucose, N-acetyl-alpha-D-fucosamine, N-acetyl-alpha-L-quinovosamine and N-acetyl-beta-D-glucosamine residues linked sequentially (1->6), (1->3) and (1->3). It forms an important epitope of the Proteus vulgaris O-specific polysaccharide. It has a role as an epitope.
The molecule CCCCC[C@H](C)OC(=O)\C=C\c1ccc(O)c(O)c1 CCCCC[C@H](C)OC(=O)\C=C\c1ccc(O)c(O)c1 is an alkyl caffeate ester obtained by the formal condensation of trans-caffeic acid with heptan-2-ol. It has been isolated from the leaves of Piper sanguineispicum. It has the role of plant metabolite . It is also related to or classified as alkyl caffeate ester  .
The molecule [H][C@@]12CC[C@H](C)CN1C[C@@]1([H])[C@]3(O)C[C@]45O[C@]6(O)[C@H](O)CC[C@@]4(C)[C@]6([H])CC[C@@]5([H])[C@]3(O)C[C@H](O)[C@]1(O)[C@]2(C)O [H][C@@]12CC[C@H](C)CN1C[C@@]1([H])[C@]3(O)C[C@]45O[C@]6(O)[C@H](O)CC[C@@]4(C)[C@]6([H])CC[C@@]5([H])[C@]3(O)C[C@H](O)[C@]1(O)[C@]2(C)O is A steroid consisting of cevane having an oxygen bridge between positions 4 and 9 and carrying seven additional hydroxy substituents. It has the role of insecticide . It is also related to or classified as steroid  .
The molecule C(C[C@@H](C#N)O)CCCCCC C(C[C@@H](C#N)O)CCCCCC is optically active cyanohydrin that can be produced using the (S)-hydroxynitrile lyase from Hevea brasiliensis (https://doi.org/doi:10.1016/s0040-4039(00)74084-6). It is also related to or classified as cyanohydrin  .
The molecule C#CC[C@@H](C(=O)[O-])[NH3+] is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy group to the amino group of L-propargylglycine. The major species at pH 7.3. It has a role as an antimicrobial agent. It is a tautomer of a L-propargylglycine.
The molecule CCC[C@H](C)OC(=O)\C=C\c1ccc(O)c(O)c1 CCC[C@H](C)OC(=O)\C=C\c1ccc(O)c(O)c1 is an alkyl caffeate ester obtained by the formal condensation of trans-caffeic acid with  2-pentanol. Isolated from the leaves of Piper sanguineispicum, it has been shown to exhibit antileishmanial activity. It has the role of antileishmanial agent . It has the role of plant metabolite . Its functional parent is pentan-2-ol . It is also related to or classified as alkyl caffeate ester  .
The molecule C[N+](C)(C)c1ccc(cc1)[N+]#N C[N+](C)(C)c1ccc(cc1)[N+]#N is an aromatic diazonium ion consiting of a benzene core with diazonium and trimethylammonium groups para to one another. It is also related to or classified as quaternary ammonium ion  . It is also related to or classified as aromatic diazonium ion .
The molecule [H][C@@]12C[C@H](CC)[C@H](CC)CN1CC[C@@]21CNc2ccccc12 [H][C@@]12C[C@H](CC)[C@H](CC)CN1CC[C@@]21CNc2ccccc12 is corynoxan. It is also related to or classified as indole alkaloid fundamental parent , indole alkaloid .
The molecule Cl[Os--](Cl)(Cl)(Cl)(Cl)#N Cl[Os--](Cl)(Cl)(Cl)(Cl)#N is pentachloro(nitrido)osmate(2-). It is also related to or classified as osmium coordination entity , chlorometallate anion .
The molecule C1=CC=C2C(=C1)C(=CN2)C(=O)C=O is a member of the class of indoles that is glyoxal in which one of the hydrogens has been replaced by an indol-3-yl group. It is a member of indoles, a 2-oxo aldehyde and an aromatic ketone. It derives from a glyoxal.
The molecule C(C[C@@H](C#N)O)CCC C(C[C@@H](C#N)O)CCC is optically active cyanohydrin that can be produced using the (S)-hydroxynitrile lyase from Hevea brasiliensis (https://doi.org/doi:10.1016/s0040-4039(00)74084-6). It is also related to or classified as cyanohydrin  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@H]2[C@H]([C@H](OC([C@@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)CO)O)CO)O)O is an amino trisaccharide that is D-galactopyranose in which the hydroxy groups at positions 2 and 3 have been converted into the corresponding alpha-D-glucopyranosyl and 2-acetamido-2-deoxy-alpha-D-glucopyranosyl derivatives, respectively. It is an amino trisaccharide and a member of acetamides.
The molecule [H][C@]12OC[C@H](O[N+]([O-])=O)[C@@]1([H])OC[C@H]2O[N+]([O-])=O [H][C@]12OC[C@H](O[N+]([O-])=O)[C@@]1([H])OC[C@H]2O[N+]([O-])=O is isosorbide dinitrate. It has the role of vasodilator agent . It has the role of nitric oxide donor . It is also related to or classified as nitrate ester , glucitol derivative .
The molecule O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(C)C O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(C)C is 1-O-isopropyl-beta-D-glucopyranoside. It has the role of metabolite . It is also related to or classified as glycoside  .
The molecule CCC(C)CCO is a primary alcohol that is pentanol substituted by a methyl group at position 3. It has a role as a plant metabolite.
The molecule CC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N)S(=O)(=O)O)C2=O is a member of the class of benzoisoquinolines that is 1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid substituted by 4-tolyl and amino groups at positions 2 and 6 respectively. The monosodium salt is the biological stain 'lissamine flavine FF'. It is a benzoisoquinoline, an arenesulfonic acid, an aromatic amine and a dicarboximide. It is a conjugate acid of a lissamine flavine FF(1-).
The molecule O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CCCC=CCC=CCCCCC O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CCCC=CCC=CCCCCC is (5Z,8Z)-tetradecadienoyl-CoA(4-). It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  . It is also related to or classified as long-chain 3-substituted propanoyl-CoA(4-)  .
The molecule C(CNC(=O)CC)(=O)[O-] C(CNC(=O)CC)(=O)[O-] is A monocarboxylic acid anion that is the conjugate base of propionylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule C(C[C@@H](C#N)O)C C(C[C@@H](C#N)O)C is optically active cyanohydrin that can be produced using the (S)-hydroxynitrile lyase from Hevea brasiliensis (https://doi.org/doi:10.1016/s0040-4039(00)74084-6). It is also related to or classified as cyanohydrin  .
The molecule C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O is a glycosyloxyflavone that is kaempferol attached to a beta-D-galactopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as a metabolite. It is a beta-D-galactoside, a monosaccharide derivative, a trihydroxyflavone, a glycosyloxyflavone and a member of flavonols. It derives from a kaempferol.
The molecule C[C@H]1CC[C@@H]([C@H](O)C1)C(C)=C C[C@H]1CC[C@@H]([C@H](O)C1)C(C)=C is neo-isopulegol, rel-. It has the role of metabolite . It is also related to or classified as p-menthane monoterpenoid .
The molecule CCN(CC)c1ccc2c(-c3cc(ccc3C(O)=O)N=C=S)c3ccc(cc3oc2c1)=[N+](CC)CC CCN(CC)c1ccc2c(-c3cc(ccc3C(O)=O)N=C=S)c3ccc(cc3oc2c1)=[N+](CC)CC is the 6-isomer of rhodamine B isothiocyanate. It has the role of fluorochrome . It is also related to or classified as rhodamine B isothiocyanate .