anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OP(=O)(O)O)O)O)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is a polyprenyl phospho polysaccharide that consists of the polysaccharide 3-O-phospho-[2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->]n-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc linked via a diphospho group to ditrans,octacis-undecaprenol. It is a conjugate acid of a 3-O-phospho-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-ditrans,octacis-undecaprenol(4-).
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O is A pyrimidine ribonucleoside 3'-monophosphate having uracil as the nucleobase. It has the role of Escherichia coli metabolite . It is a conjugate acid of 3'-UMP(2-) . It is also related to or classified as uridine phosphate , pyrimidine ribonucleoside 3'-monophosphate .
The molecule CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3 is an N-methylated tetrahydroisoquinoline carrying phenyl and amino substituents at positions C-4 and C-8, respectively. It has a role as a dopamine uptake inhibitor.
The molecule C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH3+] is a peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Leu. It is a tautomer of an Ala-Leu.
The molecule COc1cccc2c(OC)c3C[C@@H](Oc3[n+](C)c12)C(C)(C)O COc1cccc2c(OC)c3C[C@@H](Oc3[n+](C)c12)C(C)(C)O is Balfourodinium. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule C=CCO is a propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds. It has a role as an insecticide, a herbicide, an antibacterial agent, a fungicide and a plant metabolite. It is a primary allylic alcohol and a propenol.
The molecule CCCCCCCCCCCCCCO CCCCCCCCCCCCCCO is A long-chain fatty alcohol that is tetradecane substituted by a hydroxy group at position 1. It has the role of pheromone . It has the role of volatile oil component . It has the role of plant metabolite .  It is also related to or classified as long-chain primary fatty alcohol  . It is also related to or classified as tetradecanol .
The molecule C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] is an organic sodium salt that is the tetrasodium salt of 3-hydroxy-4-({2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2,7-disulfonic acid. It has a role as a histological dye and a fluorochrome. It is an organic sodium salt and an organosulfonate salt. It contains a Ponceau S(4-).
The molecule Oc1ccc(Cl)cc1-c1cc(Cl)c(Cl)c(Cl)c1Cl Oc1ccc(Cl)cc1-c1cc(Cl)c(Cl)c(Cl)c1Cl is 2-Hydroxy-2',3',4',5,5'-pentachlorobiphenyl.  It is also related to or classified as tetrachlorobenzene  . It is also related to or classified as biphenyls , monochlorobenzenes .
The molecule CC/C=C\\CC1CC1C[C@H]([C@@H](CC)C(=O)[O-])O is the conjugate base of alpha-mycolic acid type-3 (IV). A class of mycolic acids characterized by the presence of a proximal cis-cyclopropyl group and a distal cis C=C double bond in the meromycolic chain.
The molecule [H]C(=O)C=C([H])CCCCCCCC([H])=CCC [H]C(=O)C=C([H])CCCCCCCC([H])=CCC is A tetradecadienal with double bonds at positions 2 and 11. It has the role of flavouring agent . It is also related to or classified as tetradecadienal .
The molecule CCCCCCCCCCC/C=C\\CCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\\CCCCCCCCCCC is a 1,2-di-octadecenoyl-sn-glycero-3-phosphocholine in which the acyl group specified at positions 1 and 2 is (6Z)-octadecenoyl. It has a role as a human metabolite. It derives from a petroselinic acid.
The molecule COc1ccc(C(=O)c2ccccc2)c(O)c1 COc1ccc(C(=O)c2ccccc2)c(O)c1 is A hydroxybenzophenone that is benzophenone which is substituted at the 2- and 4-positions of one of the benzene rings by hydroxy and methoxy groups respectively. It has the role of xenobiotic . It has the role of dermatologic drug . It has the role of protective agent . It has the role of ultraviolet filter . It has the role of environmental contaminant . It is also related to or classified as hydroxybenzophenone , monomethoxybenzene .
The molecule O=C1CC(=O)[N-]C(=O)N1 O=C1CC(=O)[N-]C(=O)N1 is conjugate base of barbituric acid. It is also related to or classified as barbiturate anion .
The molecule C1[C@H](C[NH2+][C@@H]1C(=O)[O-])O is an L-alpha-amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of trans-4-hydroxy-L-proline; major species at pH 7.3. It is a tautomer of a trans-4-hydroxy-L-proline.
The molecule CCC/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 acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of trans-hex-2-enoyl-CoA; major species at pH 7.3. It is an acyl-CoA(4-) and a medium-chain fatty acyl-CoA(4-). It derives from a (Z)-hex-3-enoyl-CoA(4-). It is a conjugate base of a trans-hex-2-enoyl-CoA.
The molecule O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C=C(C(OC)=CC2OC)C=3OC=4C(C(=O)C3OC)=C(O)C(OC)=C(OC)C4)CO O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C=C(C(OC)=CC2OC)C=3OC=4C(C(=O)C3OC)=C(O)C(OC)=C(OC)C4)CO is 5,5'-Dihydroxy-3,6,7,2',4'-pentamethoxyflavone 5'-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(C[C@@H]([C@H](C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C is a steroid sulfate that is 5alpha-ergostane substituted by sulfate groups at positions 2, 3 and 6 (the (2beta,3alpha,6alpha stereoisomer). It has a role as an anti-HIV-1 agent, an anti-HIV-2 agent and a metabolite. It is a conjugate acid of a halistanol sulfate G(3-). It derives from a hydride of a 5alpha-ergostane.
The molecule [H]C(CCN(C)C)=C1c2ccccc2CSc2ccccc12 [H]C(CCN(C)C)=C1c2ccccc2CSc2ccccc12 is dothiepin. It has the role of anticoronaviral agent . It has the role of antidepressant . It is also related to or classified as dibenzothiepine .
The molecule O=C(ON=C1OC(CO)C(O)C(O)C1NC(=O)C)NC=2C=CC=CC2 O=C(ON=C1OC(CO)C(O)C(O)C1NC(=O)C)NC=2C=CC=CC2 is PUGNAc. Its functional parent is N-acetyl-D-glucosamine .    It is also related to or classified as oxime ester  . It is also related to or classified as acetamides , benzenes , carbamate ester , monosaccharide derivative .
The molecule [H]O[As]([H])[H] [H]O[As]([H])[H] is arsinous acid. It is a conjugate acid of arsinite . It is also related to or classified as arsenic oxoacid .
The molecule O=C1N2[C@H](C(=O)N[C@H](C(=O)N3[C@@H](C(N[C@H]1CC4=CC=C(O)C=C4)=O)CCC3)CC5=CC=C(O)C=C5)CCC2 O=C1N2[C@H](C(=O)N[C@H](C(=O)N3[C@@H](C(N[C@H]1CC4=CC=C(O)C=C4)=O)CCC3)CC5=CC=C(O)C=C5)CCC2 is Cyclo(D -Pro-L -Tyr-L -Pro-L -Tyr). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl is a member of the class of triazoles that is 1,2,4-triazole-3-thione substituted at position 2 by a 2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl group. It is a member of monochlorobenzenes, a member of triazoles, a tertiary alcohol, a member of cyclopropanes and a thiocarbonyl compound.
The molecule CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C\CO CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C\CO is 13-cis-retinol. It has the role of human metabolite . It is also related to or classified as retinol  .
The molecule CC(O)C(=O)O[Al](OC(=O)C(C)O)OC(=O)C(C)O CC(O)C(=O)O[Al](OC(=O)C(C)O)OC(=O)C(C)O is tris(lactato)aluminium. It is also related to or classified as lactate salt , aluminium coordination entity .
The molecule CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O.CS(=O)(=O)O is a methanesulfonate salt resulting from the reaction of equimolar amounts of hycanthone and methanesulfonic acid. It was formerly used as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel. It has a role as an alkylating agent, a mutagen and a schistosomicide drug. It contains a hycanthone(1+).
The molecule OC[C@H]1O[C@H](C[C@@H]1OP([O-])([O-])=O)N1C=CC(=O)NC1=O OC[C@H]1O[C@H](C[C@@H]1OP([O-])([O-])=O)N1C=CC(=O)NC1=O is A 2'-deoxyribonucleoside 3'-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2'-deoxyuridine 3'-monophosphate (3'-dUMP); major species at pH 7.3. It is also related to or classified as 2'-deoxynucleoside 3'-monophosphate(2-)  .
The molecule O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C)[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C)[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C is Manghaslin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CCCCC/C=C\\C[C@@H]([C@@H](/C=C/C(C/C=C\\CCCC(=O)O)O)O)O is a trioxilin having (5Z,9E,14Z) double bond configuration; and 8-, (11R)- and (12S)-hydroxy substituents. It derives from a (5Z,9E,14Z)-icosa-5,9,14-trienoic acid. It is a conjugate acid of a trioxilin A3(1-).
The molecule OC(=O)\C=C/C(=O)CC(=O)C(O)=O OC(=O)\C=C/C(=O)CC(=O)C(O)=O is 3-maleylpyruvic acid. It is a conjugate acid of 3-maleylpyruvate(2-) . It is also related to or classified as 4,6-dioxohept-2-enedioic acid  . It is also related to or classified as beta-diketone .
The molecule [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C is A tetracyclic diterpenoid isolated from plant species of the genus Taxus. It has the role of plant metabolite .  It is also related to or classified as acetate ester  . It is also related to or classified as benzoate ester , tetracyclic diterpenoid .
The molecule [O-][I-] [O-][I-] is oxidoiodate(.2-). It is also related to or classified as inorganic radical anion , iodine oxide .
The molecule OC(=O)Cc1ccc(cc1)[N+]([O-])=O OC(=O)Cc1ccc(cc1)[N+]([O-])=O is A member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl grup is substituted at the para- position by a nitro group. Its functional parent is phenylacetic acid . It is a conjugate acid of (4-nitrophenyl)acetate . It is also related to or classified as phenylacetic acids , C-nitro compound .
The molecule O=C1C(=NC=2C=CC=CC12)C3=C(O)NC=4C=C(Cl)C(Cl)=CC43 O=C1C(=NC=2C=CC=CC12)C3=C(O)NC=4C=C(Cl)C(Cl)=CC43 is 6,5-dichloroindirubin. It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It is also related to or classified as organic molecular entity .
The molecule C1(/C(/NC([C@@H](N1)CCCNC(N)=[NH2+])=O)=C/C2=CC=C(C(=C2)OCC[C@H](NC(=O)C[C@](CC(N[C@H](C([O-])=O)CC([O-])=O)=O)(C(=O)[O-])O)C(=O)[O-])O)=O C1(/C(/NC([C@@H](N1)CCCNC(N)=[NH2+])=O)=C/C2=CC=C(C(=C2)OCC[C@H](NC(=O)C[C@](CC(N[C@H](C([O-])=O)CC([O-])=O)=O)(C(=O)[O-])O)C(=O)[O-])O)=O is major microspecies at pH 7.3. Its functional parent is NK13650 D(2-) .  It is also related to or classified as guanidinium ion  . It is also related to or classified as alpha-amino-acid cation .
The molecule c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61 c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61 is A ortho- and peri-fused polycyclic arene that consists of six peri-fused benzene rings. It is also related to or classified as ortho- and peri-fused polycyclic arene .
The molecule C[NH+]1CCC[C@H]1C(=O)[O-] is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N-methylproline; major species at pH 7.3. It has a role as a plant metabolite and a human metabolite. It is a tautomer of a N-methylproline.
The molecule C[C@@H](NC(=O)C1=CC(NC(C)=O)=CC=C1C)C1=CC=CC2=CC=CC=C12 C[C@@H](NC(=O)C1=CC(NC(C)=O)=CC=C1C)C1=CC=CC2=CC=CC=C12 is A benzamide that is GRL-0617 in which one of the hydrogen's of the primary amino group is replaced by an acetyl group. It an inhibitor of SARS-CoV and SARS-CoV-2 papain-like protease (PLpro) with an IC50 of 2.6 muM and 5.0 muM, respectively. It also inhibits SARS-CoV and SARS-CoV-2 infection of Vero E6 cells in vitro (EC50 values are 13.1 and 21 muM, respectively). It has the role of anticoronaviral agent . It has the role of protease inhibitor . Its functional parent is GRL-0617 . It is also related to or classified as secondary carboxamide  . It is also related to or classified as acetamides , benzamides , naphthalenes .
The molecule C\C(=C/CO)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C C\C(=C/CO)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C is A retinol in which the double bond at position 9 has cis configuration, whilst the remaining acyclic double bonds have trans configuration. It is also related to or classified as retinol  .
The molecule O(C(=O)C1C(CCCC1)C(OCCCCCCCCC)=O)C(C(C)C)CC O(C(=O)C1C(CCCC1)C(OCCCCCCCCC)=O)C(C(C)C)CC is 1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl nonyl ester. It is also related to or classified as carboxylic ester  .
The molecule O1CC(CC=2C1=C(O)C(OC)=C(O)C2)C3=C(O)C(OC)=C(OC)C=C3 O1CC(CC=2C1=C(O)C(OC)=C(O)C2)C3=C(O)C(OC)=C(OC)C=C3 is Machaerol C. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H](OC([C@H]([C@H]2O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)CO)O)O)O)O is a mannotriose that is D-mannopyranose in which the hydroxy groups at positions 2 and 4 have each been converted into the corresponding alpha-D-mannopyranose derivative. It derives from an alpha-D-Manp-(1->2)-D-Manp.
The molecule Oc1ccc(cc1)-c1ccc(O)cc1Cl Oc1ccc(cc1)-c1ccc(O)cc1Cl is A member of the class of hydroxybiphenyls that is biphenyl-4,4'-diol in which the hydrogen at position 2 has been replaced by a chlorine. Its functional parent is biphenyl-4,4'-diol . It is also related to or classified as hydroxybiphenyls  . It is also related to or classified as monochlorobenzenes .
The molecule O1[C@H]([C@@H]([C@H](C=C1C(=O)[O-])O)OS([O-])(=O)=O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O)NS([O-])(=O)=O)O O1[C@H]([C@@H]([C@H](C=C1C(=O)[O-])O)OS([O-])(=O)=O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O)NS([O-])(=O)=O)O is A carbohydrate acid derivative anion that is HP_dp02_0008 [alpha-Delta4,5-UA(2S)-(1->4)-alpha-D-GlcpNS] in which the carboxy, sulfamic acid, and sulfooxy groups have undergone deprotonation. It is also related to or classified as organosulfate oxoanion  . It is also related to or classified as organic sulfamate oxoanion  . It is also related to or classified as carbohydrate acid derivative anion .
The molecule O1C2=C(C(O)=C(C(OC)=C2C)C)C(=O)C=C1C=3C(O)=CC=CC3 O1C2=C(C(O)=C(C(OC)=C2C)C)C(=O)C=C1C=3C(O)=CC=CC3 is 5,2'-Dihydroxy-7-methoxy- 6,8-dimethylflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C\C1=C2\N[C@@](C)([C@@H]3[NH+]=C(\C(C)=C4/[NH+]=C(/C=C5\[NH+]=C1[C@@](C)(CC(N)=O)[C@@H]5CCC([O-])=O)C(C)(C)[C@@H]4CCC([O-])=O)[C@](C)(CCC([O-])=O)[C@H]3CC([O-])=O)[C@@](C)(CC(N)=O)[C@@H]2CCC([O-])=O C\C1=C2\N[C@@](C)([C@@H]3[NH+]=C(\C(C)=C4/[NH+]=C(/C=C5\[NH+]=C1[C@@](C)(CC(N)=O)[C@@H]5CCC([O-])=O)C(C)(C)[C@@H]4CCC([O-])=O)[C@](C)(CCC([O-])=O)[C@H]3CC([O-])=O)[C@@](C)(CC(N)=O)[C@@H]2CCC([O-])=O is A precorrin carboxylic acid anion that is the dianionic form of hydrogenobyrinic acid a,c-diamide. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of hydrogenobyrinic acid a,c-diamide(4-) . It is also related to or classified as precorrin carboxylic acid anion .
The molecule C1=CC(=CC=C1/C=C/CC[C@@H](CCC2=CC(=C(C=C2)O)O)O)O is a diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis. It has a role as a plant metabolite. It is a diarylheptanoid, a secondary alcohol and a member of catechols.
The molecule CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc2ccccc2c1 CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc2ccccc2c1 is an acyl-CoA thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-naphthoic acid.. It has the role of mouse metabolite . Its functional parent is 2-naphthoic acid . It is also related to or classified as acyl-CoA  .
The molecule O(S([O-])(=O)=O)[C@H]1[C@@H](OC(=C[C@@H]1O)C(=O)[O-])O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2COS([O-])(=O)=O)O)NS([O-])(=O)=O)O O(S([O-])(=O)=O)[C@H]1[C@@H](OC(=C[C@@H]1O)C(=O)[O-])O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2COS([O-])(=O)=O)O)NS([O-])(=O)=O)O is A monocarboxylic acid anion obtained by deprotonation of the carboxy group, both sulfate groups and sulfamic acid group of HP_dp02_0009. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organosulfate oxoanion  . It is also related to or classified as organic sulfamate oxoanion  . It is also related to or classified as carbohydrate acid derivative anion .
The molecule CCCCCCCC(=O)[O-] is a straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a fatty acid anion 8:0 and a straight-chain saturated fatty acid anion. It is a conjugate base of an octanoic acid.
The molecule COC(=O)C1=C2Nc3ccccc3[C@@]22CCN3CC(=O)C[C@](C1)([C@H](C)O)[C@@H]23 COC(=O)C1=C2Nc3ccccc3[C@@]22CCN3CC(=O)C[C@](C1)([C@H](C)O)[C@@H]23 is Baloxine. It is also related to or classified as alkaloid  . It is also related to or classified as methyl ester  .
The molecule C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O is A rutinoside consisting of cyanidin having the rutinosyl group at the 3-position. Its functional parent is cyanidin cation . It is a conjugate acid of cyanidin 3-O-rutinoside betaine .  It is also related to or classified as rutinoside  . It is also related to or classified as anthocyanin cation  . It is also related to or classified as benzenes , disaccharide derivative .
The molecule CCCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)O is a member of the class of indoles that is 1H-indole which is substituted by a propyl group at position 3 and by a sulfomethyl group at position 5. It is a member of indoles and an organosulfonic acid.
The molecule O(C1=CC(CCC)=CC(OC)=C1O)C O(C1=CC(CCC)=CC(OC)=C1O)C is 2,6-Dimethoxy-4-propylphenol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O)O)O is an anthocyanin cation consisting of pelargonidin having a 6-O-malonyl-beta-D-glucosyl residue attached at the 3-hydroxy position. It is an anthocyanin cation and a beta-D-glucoside. It derives from a pelargonidin.
The molecule C[C@H](CC\C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C C[C@H](CC\C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C is Carnosifloside VI.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule CC1=C(CCO1)SC(=O)C is a member of the class of dihydrofurans that is 4,5-dihydrofuran substituted at positions 2 and 3 by methyl and thioacetoxy groups respectively. It has a role as a flavouring agent. It is a thioacetate ester and a dihydrofuran.
The molecule CCCCCC/C=C/C=C/CCCCCCCC(=O)O is an octadeca-9,11-dienoic acid having 9-trans,11-trans-stereochemistry. It has a role as an apoptosis inducer, an antineoplastic agent, an anti-inflammatory agent, an antiatherogenic agent, a bacterial xenobiotic metabolite and a human metabolite.
The molecule Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1 Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1 is 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations. It has the role of dopaminergic antagonist . It has the role of antiemetic . It is also related to or classified as benzimidazoles , heteroarylpiperidine .
The molecule C(CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)N is an alpha-D-galactoside that is the 2-aminoethyl glycoside of a disaccharide consisting of alpha-D-glucosyl and alpha-D-galactosyl residues linked (1->4). It is an alpha-D-galactoside and a disaccharide derivative.
The molecule Oc1ccc(c(Cl)c1)-c1ccccc1 Oc1ccc(c(Cl)c1)-c1ccccc1 is 2-Chloro-4-biphenylol.  It is also related to or classified as organochlorine compound  . It is also related to or classified as biphenyls .
The molecule Oc1cc(O)c2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1 Oc1cc(O)c2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1 is A  hydroxyaurone that is aurone substituted by hydroxy groups at positions 4, 6, 3' and 4' respectively. It has the role of plant metabolite . Its functional parent is aurone . It is a conjugate acid of aureusidin-6-olate . It is also related to or classified as hydroxyaurone .
The molecule O=C/1N(O)C(=O)C(CC(C)C)=N\C1=C/C(C)C O=C/1N(O)C(=O)C(CC(C)C)=N\C1=C/C(C)C is Flutimide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC[C@H]1O[C@H](C[C@@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O OC[C@H]1O[C@H](C[C@@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O is A pyrimidine 2'-deoxyribonucleoside 3'-monophosphate having uracil as the nucleobase. Its functional parent is 3'-UMP . It is a conjugate acid of 2'-deoxyuridine 3'-monophosphate(2-) . It is also related to or classified as deoxyuridine phosphate , pyrimidine 2'-deoxyribonucleoside 3'-monophosphate .
The molecule CC(C)c1ccc(C(O)=O)c(O)c1O CC(C)c1ccc(C(O)=O)c(O)c1O is 2,3-dihydroxy-p-cumic acid. Its functional parent is p-cumic acid . It is a conjugate acid of 2,3-dihydroxy-p-cumate . It is also related to or classified as dihydroxybenzoic acid .