anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC(CC1=C(O)C=C(OC)C=C1)C OC(CC1=C(O)C=C(OC)C=C1)C is Verimol J. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C=1C=CC=C(C1)CC(N[C@]2([C@@]3(N(C2=O)[C@](C(S3)(C)C)(C(OCOC(=O)C)=O)[H])[H])[H])=O C=1C=CC=C(C1)CC(N[C@]2([C@@]3(N(C2=O)[C@](C(S3)(C)C)(C(OCOC(=O)C)=O)[H])[H])[H])=O is A penicillanic acid ester that is the acetoxymethyl ester of benzylpenicillin. It is a prodrug for benzylpenicillin. It has the role of antibacterial drug . It has the role of prodrug . Its functional parent is benzylpenicillin . It is also related to or classified as penicillanic acid ester , semisynthetic derivative .
The molecule CC(C)C(=O)CC(=O)[O-] is the monocarboxylic acid anion formed from 3-oxo-4-methylpentanoic acid; principal microspecies at pH 7.3. It is a conjugate base of a 4-methyl-3-oxopentanoic acid.
The molecule C(=S)(S)N(CCCC)CCCC C(=S)(S)N(CCCC)CCCC is A member of the class of dithiocarbamic acids that is dibutylcarbamic acid in which both of the oxygens are replaced by sulfur. It is a conjugate acid of dibutyldithiocarbamate . It is also related to or classified as dithiocarbamic acids  .
The molecule OC1C2C3(C(C(CC3)C(CC(OC4OC(C(O)C(O)C4O)CO)C=C(C)C)C)(CCC2(C5C(=C1)C(C(O)CC5)(C)C)C=O)C)C OC1C2C3(C(C(CC3)C(CC(OC4OC(C(O)C(O)C4O)CO)C=C(C)C)C)(CCC2(C5C(=C1)C(C(O)CC5)(C)C)C=O)C)C is Momordicin II.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule O=C(CCC/C=C\C/C=C\CC(/C=C/[C@@H]1[C@H](CCCCC)O1)O)O O=C(CCC/C=C\C/C=C\CC(/C=C/[C@@H]1[C@H](CCCCC)O1)O)O is an epoxy(hydroxy)icosatrienoic acid that is (5Z,8Z,12E)-icosatrienoic acid having the epoxide group across positions 14-15 and the hydroxy substituent located at position 11. It has the role of rat metabolite . It is a conjugate acid of 11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoate . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as epoxy(hydroxy)icosatrienoic acid .
The molecule CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O is 5,6-Dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide in which hydrogens at the 4 and 6 positions are substituted by ethylamino and methyl groups, respectively (4S, trans-configuration). A carbonic anhydrase inhibitor, it is used as the hydrochloride in ophthalmic solutions to lower increased intraocular pressure in the treatment of open-angle glaucoma and ocular hypertension. It has the role of EC 4.2.1.1 (carbonic anhydrase) inhibitor . It has the role of antihypertensive agent . It has the role of antiglaucoma drug .  It is also related to or classified as sulfonamide  . It is also related to or classified as thiophenes .
The molecule [O-]C(=O)CC(=O)\C=C(\Cl)C([O-])=O [O-]C(=O)CC(=O)\C=C(\Cl)C([O-])=O is an oxo dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 2-chloromaleylacetic acid; major species at pH 7.3. It is also related to or classified as oxo dicarboxylic acid dianion .
The molecule O=C1OC(=O)[C@]2(C1=C[C@@H](C[C@@H](CC)C3=C(C2)C(=O)OC3=O)CC)C O=C1OC(=O)[C@]2(C1=C[C@@H](C[C@@H](CC)C3=C(C2)C(=O)OC3=O)CC)C is Aspergide. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [C@@H]1(OP(=O)(O)O)[C@@H](OP(=O)(O)OP(O)(O)=O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)OP(O)(O)=O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O [C@@H]1(OP(=O)(O)O)[C@@H](OP(=O)(O)OP(O)(O)=O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)OP(O)(O)=O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O is A 1D-myo-inositol bis(diphosphate) tetrakisphosphate having the two diphospho groups located at positions 3 and 5. Its functional parent is myo-inositol . It is a conjugate acid of 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate(13-) . It is also related to or classified as 1D-myo-inositol bis(diphosphate) tetrakisphosphate .
The molecule CC1(C(NC(=O)C1[NH3+])CC2=CC=C(C=C2)O)C is a primary ammonium ion that is the conjugate acid of 3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one, obtained from the protonation of the primary amino group. Major species at pH 7.3. It is a conjugate acid of a 3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one.
The molecule O1C(CC(=O)C2=C1C=C(OC)C=C2)C3=CC=C(O)C=C3 O1C(CC(=O)C2=C1C=C(OC)C=C2)C3=CC=C(O)C=C3 is Methyl-liquiritigenin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
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)O)O)O)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 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. It is a conjugate base of an 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.
The molecule [NH3+]\C(=C\C=C/C=O)C([O-])=O [NH3+]\C(=C\C=C/C=O)C([O-])=O is an amino acid zwitterion resulting from the transfer of a proton from the carboxy to the amino group of 2-aminomuconic 6-semialdehyde; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule C(=S)([S-])N(CCCC)CCCC C(=S)([S-])N(CCCC)CCCC is A member of the class of dithiocarbamate anions resulting from the removal of the proton from the dithiocarbamic acid moiety of dibutyldithiocarbamic acid. It is also related to or classified as dithiocarbamate anions  .
The molecule COC(=O)CN(C1=CC=CC=N1)S(=O)(=O)C2=CC=CC=C2 COC(=O)CN(C1=CC=CC=N1)S(=O)(=O)C2=CC=CC=C2 is 2-[benzenesulfonyl(2-pyridinyl)amino]acetic acid methyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule O[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(O)=O O[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(O)=O is A propanoic acid derivative having an (R)-hydroxy substituent at the 2-position and a 5-benzyloxy-1H-indol-3-yl group at the 3-position. Its functional parent is 1H-indole . Its functional parent is propionic acid . It is a conjugate acid of (R)-3-(5-benzyloxyindol-3-yl)lactate . It is also related to or classified as (2R)-2-hydroxy monocarboxylic acid  .
The molecule OC(=O)\C=C\C([O-])=O OC(=O)\C=C\C([O-])=O is A hydrogen butenedioate obtained by deprotonation of one of the carboxy groups of fumaric acid. It has the role of fundamental metabolite . It is a conjugate acid of fumarate(2-) . It is also related to or classified as hydrogen butenedioate  .
The molecule O=C1C(C(=O)N)=CN(CCO)C(=C1)[C@@H](O)C2=CC=CC=C2 O=C1C(C(=O)N)=CN(CCO)C(=C1)[C@@H](O)C2=CC=CC=C2 is Penipyridone D. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3O[C@@H](CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)/C=C/C5=CC=C(O)C=C5 O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3O[C@@H](CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)/C=C/C5=CC=C(O)C=C5 is (2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-p-coumaroylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [O-]C#N [O-]C#N is cyanate. It has the role of human metabolite . It is also related to or classified as organonitrogen compound , pseudohalide anion .
The molecule C[C@H]1[C@@H]2[C@]3(CCC1=C)CC[C@@]4([C@@]2(CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O)C)C)OC3=O)C is a hexacyclic triterpenoid that is 13,28-epoxyursan-28-one with a terminal double bond between positions 20(30) and is substituted by a hydroxy group at position 3 (the 3beta,19alpha stereoisomer). It is a taraxastane-type triterpene isolated from Hypericum oblongifolium and exhibits enzyme inhibitory activity against chymotrypsin. It has a role as a metabolite and an EC 3.4.21.1 (chymotrypsin) inhibitor. It is a hexacyclic triterpenoid, a gamma-lactone, a bridged compound and a secondary alcohol. It derives from a hydride of a taraxastane.
The molecule CC1(C(N[C@H](S1)[C@@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]2NC(C(S2)(C)C)C(=O)O)NC(=O)CC3=CC=CC=C3)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]4NC(C(S4)(C)C)C(=O)O)NC(=O)CC5=CC=CC=C5)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]6NC(C(S6)(C)C)C(=O)O)NC(=O)CC7=CC=CC=C7)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]8NC(C(S8)(C)C)C(=O)O)NC(=O)CC9=CC=CC=C9)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]1NC(C(S1)(C)C)C(=O)O)NC(=O)CC1=CC=CC=C1)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]1NC(C(S1)(C)C)C(=O)O)NC(=O)CC1=CC=CC=C1)C(=O)N[C@@H](CCCCNC(=O)[C@H]([C@@H]1NC(C(S1)(C)C)C(=O)O)NC(=O)CC1=CC=CC=C1)C(=O)O)N)NC(=O)CC1=CC=CC=C1)C(=O)O)C is an oligopeptide that is octa-L-lysine (Lys-Lys-Lys-Lys-Lys-Lys-Lys-Lys) in which each lysine residue is substituted on the epsilon-nitrogen by a benzylpenicilloyl group; used in skin-testing for penicillin allergy.
The molecule O1NOC(=O)CC(N)C1=O O1NOC(=O)CC(N)C1=O is Ammonia aspartate. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(=S)([S-])N(CCCC)CCCC.C(=S)([S-])N(CCCC)CCCC.[Zn+2] C(=S)([S-])N(CCCC)CCCC.C(=S)([S-])N(CCCC)CCCC.[Zn+2] is A dithiocarbamate salt that is the zinc salt of dibutyldithiocarbamic acid. It has the role of antifungal agrochemical . Its functional parent is dibutyldithiocarbamic acid . It is also related to or classified as zinc molecular entity , dithiocarbamate salt .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 is 4,4,4-trifluoro-N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC1=CC=C(/C=C/C(=O)NC=2C(=CC=CC2)C(O)=O)C=C1 OC1=CC=C(/C=C/C(=O)NC=2C(=CC=CC2)C(O)=O)C=C1 is Avenanthramide 1p. It is also related to or classified as alkaloid  . It is also related to or classified as benzamides .
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=CC=C(C=C3)C(F)(F)F 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=CC=C(C=C3)C(F)(F)F is 1-[[(3R,9R,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]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule NC#N NC#N is A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group. It has the role of EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor . It is a conjugate acid of cyanamide(2-) . It is also related to or classified as nitrile  . It is also related to or classified as one-carbon compound .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O[C@H]2[C@@H](C(=O)[C@H]([C@H](O2)CO)O)O)O is a keto-disaccharide that is beta-D-galactosyl-(1->4)-beta-D-glucose in which the hydroxy group at position 3 of the galactosyl moiety has been oxidised to the corresponding ketone. It has a role as a mouse metabolite.
The molecule C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45 is a heteropentacyclic compound that is (20alpha)-16,17-didehydro-18-oxayohimban which is substituted at position 16 by a methoxycarbonyl group and at position 19 by a methyl group. It is a metabolite found in several plant species. It has a role as a plant metabolite. It is a yohimban alkaloid, an organic heteropentacyclic compound and a methyl ester. It is a conjugate base of a tetrahydroalstonine(1+).
The molecule OCCc1cncs1 OCCc1cncs1 is A 1,3-thiazole in which the only substituent is a 2-hydroxyethyl group at position 5. It is also related to or classified as primary alcohol  . It is also related to or classified as 1,3-thiazoles .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 is N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C(CCC/C=C\C/C=C\C/C=C\C(C1C(CCCCC)O1)O)O O=C(CCC/C=C\C/C=C\C/C=C\C(C1C(CCCCC)O1)O)O is an epoxy(hydroxy)icosatrienoic acid that is (5Z,8Z,11Z)-icosatrienoic acid having the epoxide group across positions 14-15 and the hydroxy substituent located at position 13. It is a conjugate acid of 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoate . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as epoxy(hydroxy)icosatrienoic acid .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCC(C(=O)O)O is an ultra-long-chain fatty acid that is (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoic acid substituted at position 2 by a hydroxy group. It is a 2-hydroxy fatty acid, a hydroxy polyunsaturated fatty acid and an ultra-long-chain fatty acid. It derives from a (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoic acid. It is a conjugate acid of a (14Z,17Z,20Z,23Z,26Z)-2-hydroxydotriacontapentaenoate.
The molecule O=C1C(OC(=O)CC2=CC=CC=C2)=C(C(=O)C(=C1C3=CC=C(OC(=O)CC4=CC=CC=C4)C=C3)OC)C5=CC=C(OC(=O)CC6=CC=CC=C6)C=C5 O=C1C(OC(=O)CC2=CC=CC=C2)=C(C(=O)C(=C1C3=CC=C(OC(=O)CC4=CC=CC=C4)C=C3)OC)C5=CC=C(OC(=O)CC6=CC=CC=C6)C=C5 is Ganbajunin A. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule O[C@H](Cc1c[nH]c2ccccc12)C(O)=O O[C@H](Cc1c[nH]c2ccccc12)C(O)=O is A propanoic acid derivative having an (R)-hydroxy substituent at the 2-position and a 1H-indol-3-yl group at the 3-position. Its functional parent is 1H-indole . Its functional parent is propionic acid . It is a conjugate acid of (R)-indole-3-lactate . It is also related to or classified as (2R)-2-hydroxy monocarboxylic acid  .
The molecule C1(O)=C2C(C(C=3C(=CC=CC3O)C2=O)=O)=C(O)C4=C1C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)([C@@H](C)O)O C1(O)=C2C(C(C=3C(=CC=CC3O)C2=O)=O)=C(O)C4=C1C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)([C@@H](C)O)O is A anthracycline antibiotic that is a cardiotoxic metabolite of carminomycin obtained by formal reduction of the carbonyl group. It has the role of antineoplastic agent . It has the role of drug metabolite . It has the role of cardiotoxic agent . Its functional parent is carminomycin . It is also related to or classified as aminoglycoside antibiotic , p-quinones , anthracycline antibiotic , tetracenequinones .
The molecule CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O is a tricyclic triterpenoid isolated from Poria cocos. It has a role as a fungal metabolite. It is a tricyclic triterpenoid, a dicarboxylic acid and a secondary alcohol.
The molecule CC(C)([C@H](C(=O)[O-])O)O is a 2,3-dihydroxy-3-methylbutanoate. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a (R)-2,3-dihydroxy-3-methylbutanoic acid.
The molecule OC(=O)CC\C(=N\OCC)\C(O)=O OC(=O)CC\C(=N\OCC)\C(O)=O is 2-(ethoxyimino)-2-ketoglutaric acid.  It is also related to or classified as oxime O-ether  . It is also related to or classified as dicarboxylic acid .
The molecule C(C[NH3+])OP(=O)([O-])OC[C@H](OC(CCCCCCC/C=C\CCCCCC)=O)COC(=O)CCCCCCC/C=C\CCCCCC C(C[NH3+])OP(=O)([O-])OC[C@H](OC(CCCCCCC/C=C\CCCCCC)=O)COC(=O)CCCCCCC/C=C\CCCCCC is A phosphatidylethanolamine 32:2 obtained by transfer of a proton from the amino to the phosphate group of 1,2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 32:2  . It is also related to or classified as organic molecular entity .
The molecule CC(\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C CC(\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C is zeaxanthin. It has the role of antioxidant . It has the role of cofactor . It has the role of bacterial metabolite . It is also related to or classified as carotenol .
The molecule S(C[C@H](N)C(=O)N[C@H](C(O)C(O)CCCCCCCCCCCCCC)CO)[C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC S(C[C@H](N)C(=O)N[C@H](C(O)C(O)CCCCCCCCCCCCCC)CO)[C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC is Cer(t18:0/LTE4). It is also related to or classified as hydroxy fatty acid , polyunsaturated fatty acid .
The molecule c1cscn1 c1cscn1 is thiazole. It is also related to or classified as mancude organic heteromonocyclic parent , 1,3-thiazoles , monocyclic heteroarene .
The molecule CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CNC2CCCC3=CC=CC=C23 CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CNC2CCCC3=CC=CC=C23 is 5-carbamoyl-4-methyl-2-[[1-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester. It is also related to or classified as amino acid amide .
The molecule C1(O)=C2C(C(C=3C(=CC=CC3O)C2=O)=O)=C(O)C4=C1C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(CC)O C1(O)=C2C(C(C=3C(=CC=CC3O)C2=O)=O)=C(O)C4=C1C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(CC)O is A cytotoxic anthracycline antibiotic that is produced by Streptomyces peucetius var. carminatus (a biochemical mutant of Streptomyces peucetius var. caesius), and is active against P-388 murine leukemia. It has the role of antineoplastic agent . It has the role of bacterial metabolite .   It is also related to or classified as tertiary alcohol  . It is also related to or classified as aminoglycoside antibiotic , p-quinones , anthracycline antibiotic , tetracenequinones .
The molecule CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@H](CO)C(=O)[O-])O)O)O)O)O)O is a carbohydrate acid derivative anion that is the conjugate base of 2-O-[6-O-octanoyl-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glyceric acid arising from deprotonation of the carboxy group; major species at pH 7.3. It is a carbohydrate acid derivative anion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a 2-O-[6-O-octanoyl-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glyceric acid.
The molecule CC1=NC(C2=NC(C3=CC=C(C=C3)OC(F)(F)F)=NO2)=NN1CC=4C=CC=C(C4)N5CCC(CC5)S(C)(=O)=O.Cl CC1=NC(C2=NC(C3=CC=C(C=C3)OC(F)(F)F)=NO2)=NN1CC=4C=CC=C(C4)N5CCC(CC5)S(C)(=O)=O.Cl is iACS-10759 Hydrochloride is an inhibitor of mitochondrial complex I of oxidative phosphorylation (OXPHOS), contributing to programmed cell death for acute myeloid leukemia and brain cancers that require OXPHOS. It is also related to or classified as organic molecular entity .
The molecule O=C1NC=2C(N(C3CC3)C=4N=CC(O)=CC41)=NC=CC2C O=C1NC=2C(N(C3CC3)C=4N=CC(O)=CC41)=NC=CC2C is 8-Hydroxynevirapine. It is also related to or classified as aromatic amine , tertiary amino compound .
The molecule C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3C(=O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)NS(=O)(=O)O)O)COS(=O)(=O)O)O)O)COS(=O)(=O)O)C(=O)O is a heparin tetrasaccharide consisting of 4-deoxy-2-O-sulfo-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranosyl,D-glucopyranuronosyl and 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose joined in sequence by (1->4) linkages with alpha, alpha, and beta configuration, respectively. Sequence: DUA2S-GlcNS6S-GlcA-GlcNS6S. It is an amino tetrasaccharide, a heparin tetrasaccharide and an oligosaccharide sulfate.
The molecule CCCCCCCCCCCCCCCCCCCC(=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 CCCCCCCCCCCCCCCCCCCC(=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 very long-chain fatty acyl-CoA that is the S-icosanoyl derivative of coenzyme A. It has the role of human metabolite . Its functional parent is coenzyme A . It is a conjugate acid of icosanoyl-CoA(4-) . It is also related to or classified as saturated fatty acyl-CoA  . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as 11,12-saturated fatty acyl-CoA  .
The molecule CCC(N)C(=O)Nc1c(C)cccc1C CCC(N)C(=O)Nc1c(C)cccc1C is amino acid amide with 2,6-dimethylanilino and 2-aminobutanoyl components. It is also related to or classified as amino acid amide .
The molecule COC1=NC(=NC(OC)=N1)C(=O)C1=C(N(C)S(=O)(=O)C(F)F)C(F)=CC=C1 COC1=NC(=NC(OC)=N1)C(=O)C1=C(N(C)S(=O)(=O)C(F)F)C(F)=CC=C1 is A methoxy-1,3,5-triazine that is 1,3,5-triazine substituted by 2-{[(difluoromethyl)sulfonyl](methyl)amino}-3-fluorobenzoyl, methoxy and methoxy groups at positions 2, 4, and 6, respectively. It is a herbicide developed by Bayer CropScience AG for weed control in rice and its mode of action is inhibition of the enzyme acetolactate synthase. It has the role of EC 2.2.1.6 (acetolactate synthase) inhibitor . It has the role of herbicide . It has the role of agrochemical . It is also related to or classified as sulfonamide  .    It is also related to or classified as monofluorobenzenes  . It is also related to or classified as organofluorine compound  . It is also related to or classified as methoxy-1,3,5-triazine , diether , aromatic ketone .
The molecule O=C(CCC/C=C\C/C=C\CC(C(/C=C/C(CCCCC)O)O)O)O O=C(CCC/C=C\C/C=C\CC(C(/C=C/C(CCCCC)O)O)O)O is A trihydroxyicosatrienoic acid that is (5Z,8Z,13E)-icosatrienoic acid in which the three hydroxy groups are located at positions 11, 12 and 15. It has the role of mouse metabolite . It is a conjugate acid of 11,12,15-trihydroxy-(5Z,8Z,13E)-icosatrienoate . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as trihydroxyicosatrienoic acid .
The molecule COc1cc2c(cc1[O-])occ(-c1cc(OC)c(OC)cc1OC)c2=O COc1cc2c(cc1[O-])occ(-c1cc(OC)c(OC)cc1OC)c2=O is A flavonoid oxoanion that is the conjugate base of dalnigrein, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as flavonoid oxoanion .
The molecule Cc1cc2[N]c3c([nH]c(=O)[nH]c3=O)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)c2cc1C Cc1cc2[N]c3c([nH]c(=O)[nH]c3=O)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)c2cc1C is FMNH(.). It is a conjugate acid of FMNH(.)(2-) . It is also related to or classified as flavin mononucleotide .
The molecule CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2 is an organic cation that is phenothiazin-5-ium substituted by dimethylamino groups at positions 3 and 7. The chloride salt is the histological dye 'methylene blue'. It is a conjugate acid of a 3,7-bis(dimethylamino)phenothiazine.