anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [Ni++] [Ni++] is A nickel cation in which the nickel carries a double positive charge. It has the role of cofactor .  It is also related to or classified as monoatomic dication  . It is also related to or classified as nickel cation , divalent metal cation , metal cation allergen .
The molecule O=C1NC=2C(=O)C(=C(OC)C(C2)=O)C[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](C[C@H](C=C1C)O)OC)OC(=O)N)C)C)C O=C1NC=2C(=O)C(=C(OC)C(C2)=O)C[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](C[C@H](C=C1C)O)OC)OC(=O)N)C)C)C is (4R)-4,5-dihydro-4-hydroxygeldanamycin. It is also related to or classified as enol ether  . It is also related to or classified as enone  .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=C(OC)C3=O)C4=CC(OC)=C(O)C=C4)C=C(O)C2OC)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=C(OC)C3=O)C4=CC(OC)=C(O)C=C4)C=C(O)C2OC)CO is Jaceidin 5-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OC(=O)CCC(=O)C([O-])=O OC(=O)CCC(=O)C([O-])=O is A dicarboxylic acid monoanion resulting from selective deprotonation of the 1-carboxy group of 2-oxoglutaric acid. It has the role of fundamental metabolite . Its functional parent is glutarate(1-) . It is a conjugate acid of 2-oxoglutarate(2-) . It is also related to or classified as dicarboxylic acid monoanion .
The molecule C[Hg]C C[Hg]C is dimethylmercury. It has the role of NMR chemical shift reference compound . It is also related to or classified as methylmercury compound .
The molecule O1O[Cr-3]112345OO1.O2O3.O4O5 O1O[Cr-3]112345OO1.O2O3.O4O5 is tetraperoxidochromate(3-). It is also related to or classified as chromium oxoanion , chromium oxide , trivalent inorganic anion .
The molecule OCC1COP([O-])(=O)O1 OCC1COP([O-])(=O)O1 is conjugate base of glycerol 1,2-cyclic phosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C is flumethasone. It has the role of anti-inflammatory drug . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as tertiary alpha-hydroxy ketone  .    It is also related to or classified as 11beta-hydroxy steroid  .   It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 17alpha-hydroxy steroid , 21-hydroxy steroid , 20-oxo steroid , fluorinated steroid .
The molecule NCCCNCCCNCCCN NCCCNCCCNCCCN is A polyazaalkane consisting of a 13-membered straight chain alkane with aza-groups at the 1-, 5-, 9- and 13-positions. It is also related to or classified as tetramine , polyazaalkane .
The molecule P(=O)(OC(C(=O)NC(C1OC(=O)C=2C(O)=CC=CC2C1)CC(C)C)C(O)C(N)CC(=O)N)(O)O P(=O)(OC(C(=O)NC(C1OC(=O)C=2C(O)=CC=CC2C1)CC(C)C)C(O)C(N)CC(=O)N)(O)O is 8'-Phosphoamicoumacin A. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1CC(C(O)C2=C1C=C3OC=CC3=C2)C=4C(OC)=CC=5OCOC5C4 O1CC(C(O)C2=C1C=C3OC=CC3=C2)C=4C(OC)=CC=5OCOC5C4 is Ambanol. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CNC(=O)C(C)SCCSP(=O)(OC)OC CNC(=O)C(C)SCCSP(=O)(OC)OC is an organic thiophosphate that is N-methyl-2-[(2-sulfanylethyl)sulfanyl]propanamide in which the thiol group has been converted into the corresponding O,O-dimethyl thiophoshate. Formerly used as an insecticide and acaricide, it is no longer approved for use within the European Union. It has the role of acaricide . It has the role of antibacterial agent . It has the role of agrochemical . It has the role of antifungal agent . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 2-((2-hydroxyethyl)sulfanyl)-N-methylpropionamide . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .
The molecule N[C@H]([C@@H](O)CC(=O)C([O-])=O)[C@@H](O)[C@H](O)[C@H](O)CO N[C@H]([C@@H](O)CC(=O)C([O-])=O)[C@@H](O)[C@H](O)[C@H](O)CO is A member of the class of neuraminates obtained by deprotonation of the carboxy group of keto-neuraminic acid. It is also related to or classified as neuraminates .
The molecule O=C1N2[C@@](CCC2)(CO)[C@@]([C@@H]1C)(O)CCCCC=CC O=C1N2[C@@](CCC2)(CO)[C@@]([C@@H]1C)(O)CCCCC=CC is Penibruguieramine A. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , cyclic ketone .
The molecule CC1=C[C@@H]2[C@@H]3[C@@H](C1)c1ccc(O)cc1O[C@@]3(Oc1cc(cc(O)c21)-c1cc2ccc(O)cc2o1)c1ccc(O)cc1O CC1=C[C@@H]2[C@@H]3[C@@H](C1)c1ccc(O)cc1O[C@@]3(Oc1cc(cc(O)c21)-c1cc2ccc(O)cc2o1)c1ccc(O)cc1O is albanol A. It is also related to or classified as organic heteropentacyclic compound , 1-benzofurans .
The molecule CSCCCCCCCCC(N)C(O)=O CSCCCCCCCCC(N)C(O)=O is A sulfur-containing amino acid consisting of 2-aminodecanoic acid having a methylthio substituent at the 10-position.   It is also related to or classified as methyl sulfide  . It is also related to or classified as sulfur-containing amino acid , non-proteinogenic alpha-amino acid .
The molecule [H]C(=O)C(O)C(C([H])=O)C1=C([O-])C=C(OC)C2=C1OC(=O)C=3C(=O)CCC32 [H]C(=O)C(O)C(C([H])=O)C1=C([O-])C=C(OC)C2=C1OC(=O)C=3C(=O)CCC32 is A phenolate anion that is the conjugate base of aflatoxin B1 dialdehyde, 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 phenolate anion .
The molecule O=C1C2=C(O)C3=C(O)C=C(O)C=C3C(=C2C(=O)C=4C1=C(O)C=C(O)C4)C O=C1C2=C(O)C3=C(O)C=C(O)C=C3C(=C2C(=O)C=4C1=C(O)C=C(O)C4)C is BM-2419-2. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule [O-]C(=O)C(CS)CS [O-]C(=O)C(CS)CS is A monocarboxylic acid anion that is the conjugate base of 3-mercapto-2-mercaptomethylpropanoic acid; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule CNC(=O)C(C)SCCO CNC(=O)C(C)SCCO is 2-((2-hydroxyethyl)sulfanyl)-N-methylpropionamide.  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as aliphatic sulfide .
The molecule F[Mo-](F)(F)(F)(F)F F[Mo-](F)(F)(F)(F)F is hexafluoromolybdate(1-). It is also related to or classified as molybdenum coordination entity , perfluorometallate anion .
The molecule C=1(C=CC2=C(C1)C(\C(=C\3/NC=4C=CC(=CC4C3=O)S([O-])(=O)=O)\N2)=O)S([O-])(=O)=O.[Na+].[Na+] C=1(C=CC2=C(C1)C(\C(=C\3/NC=4C=CC(=CC4C3=O)S([O-])(=O)=O)\N2)=O)S([O-])(=O)=O.[Na+].[Na+] is an organic sodium salt resulting from the formal condensation of indigo carmine (acid form) with two equivalents of sodium hydroxide. It is an indicator at pH 11.5-14, changing from blue to yellow. It has the role of two-colour indicator . It has the role of histological dye . It has the role of food colouring . It is also related to or classified as organic sodium salt .
The molecule CSCCCCCCCC(N)C(O)=O CSCCCCCCCC(N)C(O)=O is A sulfur-containing amino acid consisting of 2-aminononanoic acid having a methylthio substituent at the 9-position. It is also related to or classified as sulfur-containing amino acid , non-proteinogenic alpha-amino acid .
The molecule C=1(C(=C(C(=C(C1C)O)C)CC)C([H])=O)O C=1(C(=C(C(=C(C1C)O)C)CC)C([H])=O)O is A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogens at positions 3, 5, and 6 have been replaced by methyl, methyl, and ethyl groups, respectively. It is also related to or classified as polyketide  . It is also related to or classified as dihydroxybenzaldehyde  .
The molecule O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O)C)C)C)C2=C(O)C=C(O)C=C2CC(=O)C[C@H](O)C O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O)C)C)C)C2=C(O)C=C(O)C=C2CC(=O)C[C@H](O)C is Hansforester I. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule OC(=O)C(=O)C(=O)C(O)=O OC(=O)C(=O)C(=O)C(O)=O is dioxosuccinic acid. Its functional parent is succinic acid . It is also related to or classified as oxo dicarboxylic acid , alpha-diketone .
The molecule C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)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[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)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 conjugate base of cyanidin 3-O-rutinoside 5-O-beta-D-glucoside arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. It is also related to or classified as oxonium betaine .
The molecule CSCCCCCCC(N)C(O)=O CSCCCCCCC(N)C(O)=O is A sulfur-containing amino acid consisting of 2-aminooctanoic acid having a methylthio substituent at the 8-position.   It is also related to or classified as methyl sulfide  . It is also related to or classified as sulfur-containing amino acid , non-proteinogenic alpha-amino acid .
The molecule Br[Ni--](Br)(Br)Br Br[Ni--](Br)(Br)Br is tetrabromonickelate(2-). It is also related to or classified as nickel coordination entity , perbromometallate anion .
The molecule OC(=O)CC1=CNC2=CC=C(C=C12)C12CC3CC(CC(C3)C1)C2 OC(=O)CC1=CNC2=CC=C(C=C12)C12CC3CC(CC(C3)C1)C2 is A member of the class of indole-3-acetic acids that is (1H-indol-3-yl)acetic acid substituted by an adamantan-1-yl group at position 5. It is a synthetic auxin that binds to the modified auxin receptor, shows stronger binding affinity than natural auxin, and induces protein degradation. It has the role of synthetic auxin . It is also related to or classified as indole-3-acetic acids , monocarboxylic acid , adamantanes .
The molecule C=1(C(=C(C(=C(C1C)O)C)C)C([H])=O)O C=1(C(=C(C(=C(C1C)O)C)C)C([H])=O)O is A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which all three phenyl hydrogens have been replaced by methyl groups. It is also related to or classified as polyketide  . It is also related to or classified as dihydroxybenzaldehyde  .
The molecule C12=C(C=CC=C1NC=C2C[C@@H](C(=O)[O-])[NH3+])[N+](=O)[O-] C12=C(C=CC=C1NC=C2C[C@@H](C(=O)[O-])[NH3+])[N+](=O)[O-] is major species at pH 7.3. It is also related to or classified as 4-(3-methylbut-2-enyl)-L-tryptophan zwitterion  .
The molecule O=C1O[C@@H](CC(=O)O[C@@H](CC2=C(C(=O)O[C@@H](CC(O[C@@H](CC(CC=3C1=C(O)C=C(O)C3)=O)C)=O)C)C(O)=CC(=C2)O)C)C O=C1O[C@@H](CC(=O)O[C@@H](CC2=C(C(=O)O[C@@H](CC(O[C@@H](CC(CC=3C1=C(O)C=C(O)C3)=O)C)=O)C)C(O)=CC(=C2)O)C)C is Hansforester H. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CC(=C)C1CN2C(NC(C)(C)CC2=O)=N1 CC(=C)C1CN2C(NC(C)(C)CC2=O)=N1 is Alchornine. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(O)=C3C(OC(=C(OC)C3=O)C4=CC(OC)=C(O)C=C4)=CC2OC)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(O)=C3C(OC(=C(OC)C3=O)C4=CC(OC)=C(O)C=C4)=CC2OC)CO is Chrysosplenoside C. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule S(O)(=O)C=1C=C2OC(C(O)CC2=C(O)C1[O-])C3=CC(OS(O)(=O)=O)=C(OC)C=C3 S(O)(=O)C=1C=C2OC(C(O)CC2=C(O)C1[O-])C3=CC(OS(O)(=O)=O)=C(OC)C=C3 is 3,6-Dihydroxy-2-[4-methoxy-3-(sulfooxy)phenyl]-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CSCCCCCC(N)C(O)=O CSCCCCCC(N)C(O)=O is A sulfur-containing amino acid consisting of 2-aminoheptanoic acid having a methylthio substituent at the 7-position.   It is also related to or classified as methyl sulfide  . It is also related to or classified as sulfur-containing amino acid , non-proteinogenic alpha-amino acid .
The molecule [H]C(=NOC(=O)NC)C(C)(C)SC [H]C(=NOC(=O)NC)C(C)(C)SC is the oxime carbamate resulting from the addition of 2-methyl-2-(methylsulfanyl)propanaldoxime to methyl isocyanate. A member of the class of oxime carbamate insecticides, aldicarb is a mixture of E and Z isomers; it is not known which isomer is more active. It has the role of acaricide . It has the role of nematicide . It has the role of carbamate insecticide . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is methyl isocyanate . Its functional parent is 2-methyl-2-(methylsulfanyl)propanal oxime . It is also related to or classified as carbamate ester .
The molecule OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O is A L-glucopyranose with an alpha-configuration at the anomeric position. It is also related to or classified as L-glucopyranose  .
The molecule C1CC1 C1CC1 is A cycloalkane composed of three carbon atoms to form a ring. It has the role of inhalation anaesthetic . It is also related to or classified as cycloalkane  . It is also related to or classified as cyclopropanes .
The molecule [C@@H](CCCCNC([C@H]([C@@H]1NC(C(S1)(C)C)C(=O)O)NC(=O)CC=2C=CC=CC2)=O)(N)C(N[C@@H](CCCCNC([C@H]([C@@H]3NC(C(S3)(C)C)C(=O)O)NC(=O)CC=4C=CC=CC4)=O)C(N[C@@H](CCCCNC([C@H]([C@@H]5NC(C(S5)(C)C)C(=O)O)NC(=O)CC=6C=CC=CC6)=O)C(N[C@@H](CCCCNC([C@H]([C@@H]7NC(C(S7)(C)C)C(=O)O)NC(=O)CC=8C=CC=CC8)=O)C(N[C@@H](CCCCNC([C@H]([C@@H]9NC(C(S9)(C)C)C(=O)O)NC(=O)CC=%10C=CC=CC%10)=O)C(N[C@@H](CCCCNC([C@H]([C@@H]%11NC(C(S%11)(C)C)C(=O)O)NC(=O)CC=%12C=CC=CC%12)=O)C(N[C@@H](CCCCNC([C@H]([C@@H]%13NC(C(S%13)(C)C)C(=O)O)NC(=O)CC=%14C=CC=CC%14)=O)C(N[C@@H](CCCCNC([C@H]([C@@H]%15NC(C(S%15)(C)C)C(=O)O)NC(=O)CC=%16C=CC=CC%16)=O)C(O)=O)=O)=O)=O)=O)=O)=O)=O [C@@H](CCCCNC([C@H]([C@@H]1NC(C(S1)(C)C)C(=O)O)NC(=O)CC=2C=CC=CC2)=O)(N)C(N[C@@H](CCCCNC([C@H]([C@@H]3NC(C(S3)(C)C)C(=O)O)NC(=O)CC=4C=CC=CC4)=O)C(N[C@@H](CCCCNC([C@H]([C@@H]5NC(C(S5)(C)C)C(=O)O)NC(=O)CC=6C=CC=CC6)=O)C(N[C@@H](CCCCNC([C@H]([C@@H]7NC(C(S7)(C)C)C(=O)O)NC(=O)CC=8C=CC=CC8)=O)C(N[C@@H](CCCCNC([C@H]([C@@H]9NC(C(S9)(C)C)C(=O)O)NC(=O)CC=%10C=CC=CC%10)=O)C(N[C@@H](CCCCNC([C@H]([C@@H]%11NC(C(S%11)(C)C)C(=O)O)NC(=O)CC=%12C=CC=CC%12)=O)C(N[C@@H](CCCCNC([C@H]([C@@H]%13NC(C(S%13)(C)C)C(=O)O)NC(=O)CC=%14C=CC=CC%14)=O)C(N[C@@H](CCCCNC([C@H]([C@@H]%15NC(C(S%15)(C)C)C(=O)O)NC(=O)CC=%16C=CC=CC%16)=O)C(O)=O)=O)=O)=O)=O)=O)=O)=O 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. Its functional parent is benzylpenicillin . It is also related to or classified as oligopeptide  .
The molecule [O-]S(=O)(=O)CCN1CCOCC1 [O-]S(=O)(=O)CCN1CCOCC1 is 2-(N-morpholino)ethanesulfonate. It is also related to or classified as organosulfonate oxoanion  . It is also related to or classified as MES .
The molecule O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O[C@@H](CC2=C(C(O)=CC(=C2)O)C(=O)O)C)C)C)C)C3=C(O)C=C(O)C=C3CC(=O)C[C@H](OC)C O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O[C@@H](CC2=C(C(O)=CC(=C2)O)C(=O)O)C)C)C)C)C3=C(O)C=C(O)C=C3CC(=O)C[C@H](OC)C is Hansforester G. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [H][C@@]12C[C@@]3(C)CCC[C@H](C)C3=C[C@]1([H])C(=C)C(=O)O2 [H][C@@]12C[C@@]3(C)CCC[C@H](C)C3=C[C@]1([H])C(=C)C(=O)O2 is A sesquiterpene lactone that is 3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2-one bearing two methyl substituents at positions 5 and 8a as well as a methylidene substituent at position 3. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of plant metabolite . It is also related to or classified as sesquiterpene lactone , naphthofuran , olefinic compound .
The molecule OC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O OC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O is A  diether that is ethylene glycol in which the hydrogens of the hydroxy groups have been replaced by 2-[bis(carboxymethyl)amino]ethyl group respectively. It has the role of chelator . It is also related to or classified as tetracarboxylic acid , diether , tertiary amino compound .
The molecule CSCCCCC(N)C(O)=O CSCCCCC(N)C(O)=O is A sulfur-containing amino acid consisting of 2-aminohexanoic acid having a methylthio substituent at the 6-position. It is also related to or classified as sulfur-containing amino acid , non-proteinogenic alpha-amino acid .
The molecule CC1=C2/[NH2+][C@@](C)([C@@H]3N=C(\C(C)=C4/N=C(/C=C5\N=C\1[C@@](C)(CC([O-])=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([O-])=O)[C@@H]2CCC([O-])=O CC1=C2/[NH2+][C@@](C)([C@@H]3N=C(\C(C)=C4/N=C(/C=C5\N=C\1[C@@](C)(CC([O-])=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([O-])=O)[C@@H]2CCC([O-])=O is A precorrin carboxylic acid anion arising from global deprotonation of the seven carboxy groups and protonation of the secondary amino group of the precorrin derivative hydrogenobyrinic acid; major species at pH 7.3. It is also related to or classified as precorrin carboxylic acid anion .
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([O-])=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([O-])=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([O-])=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([O-])=O)[C@@H]2CCC([O-])=O is A precorrin carboxylic acid anion that is the tetraanionic form of hydrogenobyrinic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of hydrogenobyrinate(6-) . It is also related to or classified as precorrin carboxylic acid anion .
The molecule O1C(C(=C(C1=O)C(CCC(OC)=O)=O)O)=C O1C(C(=C(C1=O)C(CCC(OC)=O)=O)O)=C is A butenolide that is the methyl ester of 4-(4-hydroxy-5-methylidene-2-oxo-2,5-dihydrofuran-3-yl)-4-oxobutanoic acid. It has the role of Aspergillus metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as polyketide  . It is also related to or classified as enol  . It is also related to or classified as butenolide  . It is also related to or classified as enone  . It is also related to or classified as olefinic compound .
The molecule O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O[C@@H](CC2=CC(O)=CC(=C2)O)C)C)C)C)C3=C(O)C=C(O)C=C3CC(=O)C[C@H](OC)C O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O[C@@H](CC2=CC(O)=CC(=C2)O)C)C)C)C)C3=C(O)C=C(O)C=C3CC(=O)C[C@H](OC)C is Hansforester F. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O1[C@@H]([C@H](O)C(O)C(O)[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)COC(=O)C O1[C@@H]([C@H](O)C(O)C(O)[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)COC(=O)C is Isorhamnetin 3-(6''-acetylgalactoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule Cl.COc1cccc(c1)[C@]1(O)CCCC[C@H]1CN(C)C Cl.COc1cccc(c1)[C@]1(O)CCCC[C@H]1CN(C)C is A hydrochloride resulting from the reaction of (S,S)-tramadol with 1 molar equivalent of hydrogen chloride; the (S,S)-enantiomer of the racemic opioid analgesic tramadol hydrochloride, it exhibits ten-fold lower analgesic potency than the (R,R)-enantiomer. It has the role of opioid analgesic . It has the role of adrenergic uptake inhibitor . It has the role of serotonergic antagonist . It has the role of muscarinic antagonist . It has the role of serotonin uptake inhibitor . It has the role of antitussive . It has the role of mu-opioid receptor agonist . It has the role of kappa-opioid receptor agonist . It has the role of NMDA receptor antagonist . It has the role of delta-opioid receptor agonist . It has the role of capsaicin receptor antagonist . It is also related to or classified as hydrochloride .
The molecule NCCc1ccccc1 NCCc1ccccc1 is A phenylethylamine having the phenyl substituent at the 2-position. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as aralkylamine  . It is also related to or classified as alkaloid  . It is also related to or classified as phenylethylamine  .
The molecule CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O)=CC(O)=C1C(O)=O CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O)=CC(O)=C1C(O)=O is A benzoate ester resulting from the formal condensation of the carboxy group of 2,4-dihydroxy-6-nonylbenzoic acid with the 4-hydroxy group of 2,4-dihydroxy-6-nonylbenzoic acid. It has the role of fungal metabolite . It is a conjugate acid of 4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoate . It is also related to or classified as monohydroxybenzoic acid , resorcinols , benzoate ester .
The molecule [C@@H]1(C(=C(C(O1)=O)C(CCC)=O)O)CC(OC)=O [C@@H]1(C(=C(C(O1)=O)C(CCC)=O)O)CC(OC)=O is the methyl ester of carlosic acid. Its functional parent is carlosic acid . It is also related to or classified as ketone  . It is also related to or classified as methyl ester  . It is also related to or classified as enol  . It is also related to or classified as butenolide  . It is also related to or classified as tetronic acid derivative .
The molecule O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O[C@@H](CC2=CC(O)=CC(=C2)O)C)C)C)C)C3=C(O)C=C(O)C=C3CC(=O)C[C@H](O)C O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O[C@@H](CC2=CC(O)=CC(=C2)O)C)C)C)C)C3=C(O)C=C(O)C=C3CC(=O)C[C@H](O)C is Hansforester E. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O is A HETE that consists of arachidonic acid bearing a hydroxy substituent at position 20. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is arachidonic acid . Its functional parent is icosa-5,8,11,14-tetraenoic acid . It is a conjugate acid of 20-HETE(1-) . It is also related to or classified as HETE , hydroxy monocarboxylic acid .
The molecule OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 is A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively. It has the role of anticoronaviral agent . It has the role of anxiolytic drug . It has the role of H1-receptor antagonist . It has the role of dermatologic drug . It has the role of antipruritic drug . It is also related to or classified as hydroxyether  . It is also related to or classified as N-alkylpiperazine , monochlorobenzenes .
The molecule [C@@H]1(C(=C(C(O1)=O)C(CCC)=O)O)CC(O)=O [C@@H]1(C(=C(C(O1)=O)C(CCC)=O)O)CC(O)=O is A tetronic acid derivative that is furan-2(5H)-one which is substituted at positions 3, 4, and 5 by butanoyl, hydroxy, and carboxymethyl groups, respectively (the S enantiomer). It has the role of Aspergillus metabolite . It has the role of Penicillium metabolite . It is also related to or classified as ketone  . It is also related to or classified as carboxylic acid  . It is also related to or classified as enol  . It is also related to or classified as butenolide  . It is also related to or classified as tetronic acid derivative .
The molecule O=C1N([C@]23[C@H](C(C)(C)[C@@]4(C2)C(=O)NC5=C4C=CC6=C5OC=CC(O6)(C)C)C[C@]17N(CCCC7)C3)C O=C1N([C@]23[C@H](C(C)(C)[C@@]4(C2)C(=O)NC5=C4C=CC6=C5OC=CC(O6)(C)C)C[C@]17N(CCCC7)C3)C is Marcfortine A. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .