anonymous041/ChEBI-Augmented huggingface dataset:
The molecule NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(O)=O NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(O)=O is an a N(2)-phenylacetylglutamine having L-configuration. It has the role of human metabolite . It is a conjugate acid of N(2)-phenylacetyl-L-glutaminate . It is also related to or classified as N(2)-phenylacetylglutamine  .
The molecule O=C(O)CCCCCCCC(O)C(O)CC(O)C(O)CC(O)C(O)C/C=C/CCCCCCC O=C(O)CCCCCCCC(O)C(O)CC(O)C(O)CC(O)C(O)C/C=C/CCCCCCC is (E)-9,10,12,13,15,16-hexahydroxyhexacos-18-enoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule CCN1/C(=C\\C=C\\C=C\\C=C\\C2=[N+](C3=C(C2)C=C(C=C3)S(=O)(=O)[O-])CCCCCC(=O)O)/CC4=C1C=CC(=C4)S(=O)(=O)O is a C7-cyanine dye having differentially-substituted 2-indolyl units at each end. It has a role as a fluorochrome. It derives from a C7-indocyanine.
The molecule C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)OCC(=O)O is a monocarboxylic acid that is glycolic acid in which the hydrogen attached to the 2-hydroxy group is replaced by a 1-benzyl-1H-indazol-3-yl group. Although it has anti-inflammatory, antinecrotic, choleretic and antilipidaemic properties and has been used for the treatment of various inflammatory skin disorders, its principal effect is to inhibit the denaturation of proteins. Its lysine salt is used in the management of cataracts. It has a role as a radical scavenger and a non-steroidal anti-inflammatory drug. It is a member of indazoles and a monocarboxylic acid.
The molecule CC[N+](C)(C)C CC[N+](C)(C)C is A quarternary ammonium cation having one ethyl and three methyl substituents around the central nitrogen. It is also related to or classified as quaternary ammonium ion  .
The molecule CCCCCCCCCCCC/C=C/[C@H]([C@H](CO)[NH3+])O is a cationic sphingoid that is the conjugate acid of C17 sphingosine, obtained by protonation of the primary amino function; major species at pH 7.3. It is a conjugate acid of a C17 sphingosine.
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CNC C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CNC is N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O is a C21-steroid that is cortisone bearing an additional hydroxy substituent at the 6beta-position. It is produced as a metabolite of cortisol by cytochrome p450-3A4 (CYP3A4, an important enzyme involved in the metabolism of a variety of exogenous and endogenous compounds) and can be used to detect moderate and potent CYP3A4 inhibition in vivo. It has a role as a probe and a human metabolite. It is a C21-steroid, a 6beta-hydroxy steroid, a 3-oxo-Delta(4) steroid, a 21-hydroxy steroid, a 20-oxo steroid, a 17alpha-hydroxy steroid, an 11-oxo steroid, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a cortisone.
The molecule O=C([C@]1([C@](O)(C=CC=2[C@@H]1[C@@H](O)C[C@@H](C2)C)C)C)CCOC O=C([C@]1([C@](O)(C=CC=2[C@@H]1[C@@H](O)C[C@@H](C2)C)C)C)CCOC is (4R*, 5S*, 6S*, 8S*, 13R*)-1-(2,8-dihydroxy-1,2,6-trimethyl-1,2,6,7,8,8a-hexahydro-naphthalen-1-yl)-3-methoxy-propan-1-one. It is also related to or classified as tertiary alcohol  .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=C(ON=C3C)C C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=C(ON=C3C)C is 1-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C/C=C/1\\[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2[C@H]5OC(=O)C)N3[C@@H]1O)C6=CC=CC=C6N4 is an indole alkaloid obtained by selective hydrogenation of the 1,2-position of vomilenine. It is an indole alkaloid and a hemiaminal. It derives from a vomilenine.
The molecule [C@@H](N)(C(=O)N[C@@H](CC=1C=CC(=CC1)O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCCCN [C@@H](N)(C(=O)N[C@@H](CC=1C=CC(=CC1)O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCCCN is A tripeptide composed of L-lysine, L-tyrosine and L-glutamic acid joined in sequence by peptide linkages. Its functional parent is L-glutamic acid . Its functional parent is L-tyrosine . Its functional parent is L-lysine . It is also related to or classified as tripeptide  .
The molecule CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is A short chain fatty acyl-CoA(4-) that is the tetraanion of isovaleryl-CoA arising from deprotonation of phosphate and diphosphate functions. It has the role of human metabolite . It is also related to or classified as short chain fatty acyl-CoA(4-)  .
The molecule CC1=C2/N=C(/C=C3\N=C([C@@H](CCC([O-])=O)C3(C)C)\C(C)=C3/N([Co+]C[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4cnc5c(N)ncnc45)[C@H]([C@H](CC([O-])=O)[C@@]3(C)CCC([O-])=O)[C@]3(C)N=C\1[C@@H](CCC([O-])=O)[C@]3(C)CC(N)=O)[C@@H](CCC([O-])=O)[C@]2(C)CC(N)=O CC1=C2/N=C(/C=C3\N=C([C@@H](CCC([O-])=O)C3(C)C)\C(C)=C3/N([Co+]C[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4cnc5c(N)ncnc45)[C@H]([C@H](CC([O-])=O)[C@@]3(C)CCC([O-])=O)[C@]3(C)N=C\1[C@@H](CCC([O-])=O)[C@]3(C)CC(N)=O)[C@@H](CCC([O-])=O)[C@]2(C)CC(N)=O is conjugate base of adenosylcob(III)yrinic acid a,c-diamide. It is also related to or classified as pentacarboxylic acid anion .
The molecule [C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O is a myo-inositol tetrakisphosphate having the phosphate groups placed at the 1-, 3-, 4- and 6-positions. It has a role as a mouse metabolite. It derives from a myo-inositol. It is a conjugate acid of a myo-inositol 1,3,4,6-tetrakisphosphate(8-).
The molecule O=C(O)CCCCCCCC(O)C(O)CC(O)C(O)C(O)C(O)C/C=C/CCCCCC O=C(O)CCCCCCCC(O)C(O)CC(O)C(O)C(O)C(O)C/C=C/CCCCCC is (E)-9,10,12,13,14,15-hexahydroxytetracos-17-enoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule Br.CC1=CC=C(C=C1)C(=O)CN1C(=N)SC2=C1CCCC2 Br.CC1=CC=C(C=C1)C(=O)CN1C(=N)SC2=C1CCCC2 is A hydrobromide salt prepared from 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone and one equivalent of hydrogen bromide. It is a chemical that inhibits p53-mediated gene activation and apoptosis. It has the role of p53 inhibitor . It has the role of hepatoprotective agent . It has the role of apoptosis inhibitor . It has the role of aryl hydrocarbon receptor agonist . It is also related to or classified as hydrobromide  .
The molecule [H]\C(C)=N\O [H]\C(C)=N\O is the (Z)-stereoisomer of acetaldehyde oxime. It is also related to or classified as acetaldehyde oxime  .
The molecule C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3O[C@H]4[C@@H]([C@H](O[C@@H]([C@H]4O)O)CO)O)CO)O)O)CO)O)O)O)O)O)O is a linear tetrasaccharide that consists of a 6-C-methyl-D-mannosyl residue at the non-reducing end and three D-mannosyl resides joined by sequential alpha-(1->2)-, alpha-(1->2)- and alpha-(1->3)-linkages. It is a deoxy oligosaccharide and a tetrasaccharide.
The molecule S(OC(CC(O)=O)C(O)=O)(O)(=O)=O S(OC(CC(O)=O)C(O)=O)(O)(=O)=O is SCHEMBL9567921. It is also related to or classified as alkyl sulfate , fatty acid derivative .
The molecule O=C(OC[C@@H]1N=C(N2CCC([C@@]32[C@H]1N=C(N)N3)(O)O)N)C O=C(OC[C@@H]1N=C(N2CCC([C@@]32[C@H]1N=C(N)N3)(O)O)N)C is [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .
The molecule c1ccc2c(c1)ccc1cc3c(ccc4ccccc34)cc21 c1ccc2c(c1)ccc1cc3c(ccc4ccccc34)cc21 is dibenz[a,h]anthracene. It has the role of mutagen . It is also related to or classified as ortho-fused polycyclic arene .
The molecule CC(=O)NC1C(C([C@H](OC1O)CO)O)O is any N-acetylhexosamine in which the hexosamine has D-configuration. The structure provided is an illustrative example of the pyranose form of an N-acetyl-D-hexosamine.
The molecule C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)C([C@@H]4C[C@H]([C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)O)(C)C)C is a limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica. It has a role as a metabolite, a plant metabolite, an antimalarial and an anti-inflammatory agent. It is an enone, a cyclic terpene ketone, an epoxide, a member of furans, a limonoid, a pentacyclic triterpenoid and a delta-lactone. It derives from a gedunin.
The molecule NCCS([O-])=O NCCS([O-])=O is an  organosulfinate oxoanion resulting from the deprotonation of the sulfinic acid group of hypotaurine. It is also related to or classified as organosulfinate oxoanion  .
The molecule [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@@](C)(O)[C@H](O)CC[C@@H](C)CO [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@@](C)(O)[C@H](O)CC[C@@H](C)CO is inokosterone.  It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as phytoecdysteroid , 26-hydroxy steroid , 20-hydroxy steroid , 2beta-hydroxy steroid , 14alpha-hydroxy steroid , 22-hydroxy steroid , 6-oxo steroid .
The molecule CC(CC(=O)[O-])[NH3+] CC(CC(=O)[O-])[NH3+] is an amino acid zwitterion that is 3-aminobutanoic acid in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. It is a conjugate acid of 3-aminobutyrate . It is also related to or classified as amino-acid zwitterion .
The molecule C1=CC(=CC=C1CC(C(=O)O)N)OP(=O)(O)O is a non-proteinogenic alpha-amino acid that is tyrosine phosphorylated at the phenolic hydroxy group. It is an O-phosphoamino acid, a tyrosine derivative, a non-proteinogenic alpha-amino acid and an aromatic amino acid. It is a conjugate acid of an O(4)-phosphonatotyrosine(2-).
The molecule C1=2C(=N[C@H](CN1)[C@H]([C@H](C)O)O)C(N=C(N2)N)=O C1=2C(=N[C@H](CN1)[C@H]([C@H](C)O)O)C(N=C(N2)N)=O is A 6,7-dihydrobiopterin that has R configuration at position 6 and in which the 1,2-dihydroxypropyl substituent has 1R,2S configuration. It is also related to or classified as 6,7-dihydrobiopterin  .
The molecule CCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-] is a 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-pentadecylglycerone 3-phosphate; major species at pH 7.3. It is a conjugate base of a 1-pentadecylglycerone 3-phosphate.
The molecule C1=CC=C(C(=C1)CNC(=O)CNCC(C2=CC=CC=C2Cl)O)F is a secondary carboxamide that is 2-amino-1-(2-chlorophenyl)ethanol in which one of the amino hydrogens is substituted by a 2-[(2-fluorobenzyl)amino]-2-oxoethyl group. It is a monofluorobenzene, a member of monochlorobenzenes, a secondary alcohol, a secondary carboxamide and a secondary amino compound.
The molecule C=1C(=CC=C(C1)O)C(C=C)C=CC2=CC=C(C=C2)O C=1C(=CC=C(C1)O)C(C=C)C=CC2=CC=C(C=C2)O is A norlignan that is pentane-1,4-diene in which a hydrogen at position 1 and a hydrogen at position 3 are replaced by p-hydroxyphenyl groups. The isomer in which the 1,2-disubstituted double bond has Z configuration is known as nyasol; the corresponding E isomer is hinokiresinol. It has the role of plant metabolite . It is also related to or classified as polyphenol , norlignan , olefinic compound .
The molecule OP(=O)([O-])[O-].[K+].[K+] is a potassium salt that is the dipotassium salt of phosphoric acid. It has a role as a buffer. It is a potassium salt and an inorganic phosphate.
The molecule O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C4C(O)C(O)C=5C(C4=C3O)=C(O)C(=C(C)C5)C(=O)O)CC O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C4C(O)C(O)C=5C(C4=C3O)=C(O)C(=C(C)C5)C(=O)O)CC is Antibiotic R2. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=O CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=O is prostaglandin D1. It has the role of human metabolite . It is a conjugate acid of prostaglandin D1(1-) . It is also related to or classified as prostaglandins D  .
The molecule C=CC[N@@+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6[C@H]4/C(=C\\N7[C@H]8/C(=C6)/[C@@H]9/C(=C\\CO)/C[N@+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)CC=C)/[C@@H](C3)/C(=C\\CO)/C1)CC2.[Br-].[Br-] is the bromide salt of alcuronium. It has a role as a drug allergen. It is an organic salt and an organic bromide salt. It contains an alcuronium.
The molecule [C@@]12([C@](C(C3=C(C=4C(=CC=CC4C(=C3C1)C)O)O)=O)(C(C(C(N)=O)=C([C@H]2NC)O)=O)O)[H] [C@@]12([C@](C(C3=C(C=4C(=CC=CC4C(=C3C1)C)O)O)=O)(C(C(C(N)=O)=C([C@H]2NC)O)=O)O)[H] is A member of the class of tetracyclines that is anhydrotetracycline in which one of the methyl groups attached to the nitrogen has been replaced by hydrogen. It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as tetracyclines .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O is an N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 28 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.
The molecule O(c1ccccc1)c1cccc(Oc2ccccc2)c1 O(c1ccccc1)c1cccc(Oc2ccccc2)c1 is 1,3-diphenoxybenzene. Its functional parent is 3-phenoxyphenol . It is also related to or classified as diphenoxybenzene  .
The molecule S(=O)(=O)(NC=1OC(=NN1)C)C2=CC=C(N)C=C2 S(=O)(=O)(NC=1OC(=NN1)C)C2=CC=C(N)C=C2 is 4-amino-n-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule CCCCCCCCCCCCCCCCCC(C(=O)O)O is a 2-hydroxy fatty acid that is nonadecanoic acid substituted by a hydroxy group at position 2. It derives from a nonadecanoic acid.
The molecule [C-]#[O+].[C-]#[O+].[C-]#[O+].C(C(=O)O)N.Cl[Ru] is a ruthenium coordination entity that acts as a water-soluble carbon monoxide-releasing molecule. It has a role as a nephroprotective agent, an antibacterial agent, an anti-inflammatory agent, an anticoagulant, an EC 1.11.2.2 (myeloperoxidase) inhibitor, a neuroprotective agent and a mitochondrial respiratory-chain inhibitor. It is a metal carbonyl and a ruthenium coordination entity.
The molecule Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)C(O)=O)[C@@H](O)[C@H]1O Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)C(O)=O)[C@@H](O)[C@H]1O is A GDP-sugar having D-mannuronic acid as the sugar component. It is a conjugate acid of GDP-D-mannuronate . It is also related to or classified as GDP-sugar  .
The molecule COc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O COc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O is A derivative of uridine, bearing an additional methoxy substituent at position 5 on the uracil ring. It is also related to or classified as uridines .
The molecule CCCCCCCCCCCCCCCC(=O)OCC(O)COP([O-])([O-])=O CCCCCCCCCCCCCCCC(=O)OCC(O)COP([O-])([O-])=O is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 1-palmitoylglycerol 3-phosphate; major species at pH 7.3. It is also related to or classified as anionic phospholipid .
The molecule O=C1C2=C(O)C3=C(C4=C(O)C(=C(C)C=C4[C@@H]([C@H]3O)O[C@@H]5O[C@@H]([C@H](NC)[C@@H]([C@H]5O)O[C@@H]6OC[C@@H](O)[C@@H]([C@H]6O)O)C)C(=O)N[C@@H](C(=O)O)C)C(=C2C(=O)C=7C1=C(O)C=C(OC)C7)O O=C1C2=C(O)C3=C(C4=C(O)C(=C(C)C=C4[C@@H]([C@H]3O)O[C@@H]5O[C@@H]([C@H](NC)[C@@H]([C@H]5O)O[C@@H]6OC[C@@H](O)[C@@H]([C@H]6O)O)C)C(=O)N[C@@H](C(=O)O)C)C(=C2C(=O)C=7C1=C(O)C=C(OC)C7)O is 7-hydroxypradimicin A. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule OC(=O)C1CCCN1 OC(=O)C1CCCN1 is an alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. It has the role of human metabolite . It has the role of Daphnia magna metabolite . It is a conjugate acid of prolinate . It is also related to or classified as alpha-amino acid  . It is also related to or classified as pyrrolidines .
The molecule [C@@]12([C@](C(C3=C(C=4C(=CC=CC4C(=C3C1)C)O)O)=O)(C(C(C(N)=O)=C([C@H]2[NH2+]C)[O-])=O)O)[H] [C@@]12([C@](C(C3=C(C=4C(=CC=CC4C(=C3C1)C)O)O)=O)(C(C(C(N)=O)=C([C@H]2[NH2+]C)[O-])=O)O)[H] is A zwtterion obtained by transfer of a proton from the 2-hydroxy to the secondary amino group of desmethylanhydrotetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as zwitterion  .
The molecule N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O is A tripeptide consisting of L-glutamic acid, glycine and L-phenylalanine residues joined in sequence. Its functional parent is L-glutamic acid . Its functional parent is L-phenylalanine . It is also related to or classified as tripeptide  .
The molecule [H]C(=O)C([H])=C([H])CCC [H]C(=O)C([H])=C([H])CCC is A hexenal having the double bond at the 2-position. It is also related to or classified as n-alk-2-enal  . It is also related to or classified as hexenal .
The molecule [H]OCl=O [H]OCl=O is chlorous acid. It is a conjugate acid of chlorite . It is also related to or classified as chlorine oxoacid .
The molecule O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)[C@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O)CO O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)[C@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O)CO is an amino disaccharide consisting of 2-acetamido-2-deoxy-beta-D-glucopyranose and beta-D-mannopyranose joined in sequence by a (1->2) glycosidic bond. Its functional parent is N-acetyl-beta-D-glucosamine . Its functional parent is beta-D-mannose . It is also related to or classified as acetamides , amino disaccharide .
The molecule C1N([C@@](C2=C(C1)C=C3OCOC3=C2OC)([H])[C@@]4(C=5C=CC(=C(C5C(O4)=O)OC)OC)[H])C C1N([C@@](C2=C(C1)C=C3OCOC3=C2OC)([H])[C@@]4(C=5C=CC(=C(C5C(O4)=O)OC)OC)[H])C is A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinoline which is substituted by a 4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl group at position 1, a methylenedioxy group at positions 6-7 and a methoxy group at position 8. Obtained from plants of the Papaveraceae family, it lacks significant painkilling properties and is primarily used for its antitussive (cough-suppressing) effects. It has the role of antineoplastic agent . It has the role of antitussive . It has the role of apoptosis inducer . It has the role of plant metabolite . Its functional parent is (-)-noscapine hemiacetal . It is also related to or classified as benzylisoquinoline alkaloid , organic heterotricyclic compound , organic heterobicyclic compound , aromatic ether , tertiary amino compound , isobenzofuranone , cyclic acetal .
The molecule O(c1ccccc1)c1ccc(Oc2ccccc2)cc1 O(c1ccccc1)c1ccc(Oc2ccccc2)cc1 is 1,4-diphenoxybenzene. Its functional parent is 4-phenoxyphenol . It is also related to or classified as diphenoxybenzene  .
The molecule [H]C(=O)[C@H]1CCC(=O)[C@@H](OC)[C@@H]1\C(C)=C\CCC(C)C [H]C(=O)[C@H]1CCC(=O)[C@@H](OC)[C@@H]1\C(C)=C\CCC(C)C is (1S,2S,3S)-3-methoxy-2-[(2E)-6-methylhept-2-en-2-yl]-4-oxocyclohexanecarbaldehyde. It has the role of angiogenesis inhibitor . Its functional parent is cyclohexanone . Its functional parent is fumagalone . It is also related to or classified as ketoaldehyde , cyclic ketone .
The molecule [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS([O-])(=O)=O)/CC=2C=CC=CC2 [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS([O-])(=O)=O)/CC=2C=CC=CC2 is an aralkylglucosinolate that is the conjugate base of glucotropeolin; major species at pH 7.3. It is also related to or classified as (Z)-glucosinolate(1-)  . It is also related to or classified as aralkylglucosinolate .
The molecule CCC/C(=C/C(O)=O)/C CCC/C(=C/C(O)=O)/C is A monounsaturated fatty acid that is (2E)-hexenoic acid in which the hydrogen at position 3 has been replaced by a methyl group. A malodourous component in the sweat of schizophrenics. Its functional parent is (2E)-hexenoic acid . It is a conjugate acid of (2E)-3-methylhex-2-enoate .  It is also related to or classified as short-chain fatty acid  . It is also related to or classified as monounsaturated fatty acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino hexasaccharide compound consisting of a beta-D-GlcNAc residue at the reducing end with a Man-alpha(1->3)-[Man-alpha(1->6)]-Man-beta(1->4)-GlcNAc moiety attached via a beta-(1->4)-linkage and a Fuc residue attached via an alpha-(1->3)-linkage. It is also related to or classified as amino sugar , high-mannose oligosaccharide , amino hexasaccharide , glucosamine oligosaccharide .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](COP(=O)([O-])[O-])C(=O)[O-])O)O)O)O is an organophosphate oxoanion obtained by removal of the protons from the carboxy and phosphate groups of 2-O-(alpha-D-glucopyranosyl)-3-O-phospho-D-glyceric acid; major species at pH 7.3. It is an organophosphate oxoanion, a carbohydrate acid derivative anion and a monocarboxylic acid anion. It is a conjugate base of a 2-O-(alpha-D-glucopyranosyl)-3-O-phospho-D-glyceric acid.
The molecule CC1=CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)O)OC is an organic heterotricyclic compound that is 9,10-dihydroxy-1H-benzo[g]isochromen-1-one substituted at positions 3 and 7 by methyl and methoxy groups respectively. It has a role as a plant metabolite. It is an organic heterotricyclic compound, a lactone, a member of phenols, an aromatic ether, a polyketide and a naphtho-alpha-pyrone. It derives from a nor-toralactone.
The molecule C(C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)N)N)CN=C(N)N is a dipeptide obtained by formal condensation of the carboxy group of L-asparagine with the amino group of L-arginine. It derives from a L-arginine and a L-asparagine.
The molecule C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F is an organofluorine compound that is perfluorooctane in which a fluorine from each of the terminal trifluoromethyl groups has been replaced by a chlorine. It has a role as a blood substitute. It is an organofluorine compound, an organochlorine compound and a haloalkane. It derives from a hydride of an octane.
The molecule Nc1nc2NCC(COP([O-])(=O)OP([O-])([O-])=O)=Nc2c(=O)[nH]1 Nc1nc2NCC(COP([O-])(=O)OP([O-])([O-])=O)=Nc2c(=O)[nH]1 is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of (7,8-dihydropterin-6-yl)methyl diphosphate. It is also related to or classified as organophosphate oxoanion .
The molecule C[S+](CCC(=O)C(=O)[O-])C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O is a sulfonium betaine that is the conjugate base of S-adenosyl-4-methylthio-2-oxobutanoic acid, arising from deprotonation of the carboxy group. It has a role as a Saccharomyces cerevisiae metabolite. It is a sulfonium betaine and a carboxylic acid anion. It derives from a 4-methylthio-2-oxobutanoate. It is a conjugate base of a S-adenosyl-4-methylthio-2-oxobutanoic acid.