anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H](CCCCO1)C)[C@@H](C)CO)C CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H](CCCCO1)C)[C@@H](C)CO)C is 4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)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 C(=O)([C@@H]([NH3+])CC(CC[NH3+])Cl)[O-] C(=O)([C@@H]([NH3+])CC(CC[NH3+])Cl)[O-] is an alpha-amino-acid cation that is the conjugate acid of 4-chloro-L-lysine zwitterion; major species at pH 7.3. It is a conjugate acid of 4-chloro-L-lysine zwitterion . It is also related to or classified as alpha-amino-acid cation .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)O is a cardiolipin 72:7(2-) obtained by deprotonation of the phosphate OH groups of 1,1',2-trilinoleoyl-2'-oleoyl cardiolipin; major species at pH 7.3. It is a conjugate base of a 1,1',2-trilinoleoyl-2'-oleoyl cardiolipin.
The molecule O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14[C@](C=O)([C@H]5C[C@H]6C[C@H](OC(=O)C)C[C@@H](N6C[C@@]5(C4)NC)C)C O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14[C@](C=O)([C@H]5C[C@H]6C[C@H](OC(=O)C)C[C@@H](N6C[C@@]5(C4)NC)C)C is [(1'R,3R,3'aS,6'S,8'R,9'aS,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-8'-yl] acetate. Its functional parent is delta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=2C(OC(=C(C1=O)OC)C=3C=C4C(=CC3)OCO4)=C(C(=C(C2OC)OC)OCC=C(C)C)OC C1=2C(OC(=C(C1=O)OC)C=3C=C4C(=CC3)OCO4)=C(C(=C(C2OC)OC)OCC=C(C)C)OC is 2-(1,3-benzodioxol-5-yl)-3,5,6,8-tetramethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC(C)(CO)C(C(=O)NCCC(=O)O)O is a member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine. It has a role as a plant metabolite. It is a conjugate acid of a pantothenate.
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)([O-])=O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)([O-])=O)O2)c(=O)[nH]c1=O is dTMP(-). It is a conjugate acid of dTMP(2-) . It is also related to or classified as thymidine 5'-monophosphate .
The molecule [C@@H](CCC(N)=O)(NC(=O)CCCC1=CNC2=CC=CC=C21)C([O-])=O [C@@H](CCC(N)=O)(NC(=O)CCCC1=CNC2=CC=CC=C21)C([O-])=O is an N(2)-acyl-L-glutaminate resulting from the deprotonation of the carboxy group of N(2)-[4-(indol-3-yl)butanoyl]-L-glutamine. The major species at pH 7.3. It is also related to or classified as N(2)-acyl-L-glutaminate  .
The molecule C=1(C(=C(C2=C(C1)OC(CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)OC)OC C=1(C(=C(C2=C(C1)OC(CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)OC)OC is 5-hydroxy-6,7,3',4',5'-pentamethoxyflavanone 5-O-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1CC1N[C@H](C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)[C@@H](N)NC5CC5)N is a substituted diphenylfuran in which two amino(cyclopropylamino)methyl substituents are located at the two para-positions on the phenyl rings. It is a substituted diphenylfuran and an aminal. It derives from a hydride of a 2,5-diphenylfuran.
The molecule [C@]1([C@H](C(=C(C(C1)=O)O)[O-])O)(CO)O [C@]1([C@H](C(=C(C(C1)=O)O)[O-])O)(CO)O is major species at pH 7.3. It is also related to or classified as enolate  . It is also related to or classified as cyclitol  .
The molecule O1C2=C(C(OC)=C(OC)C(OC)=C2OC)C(=O)C=C1C3=CC(O)=C(OC)C=C3 O1C2=C(C(OC)=C(OC)C(OC)=C2OC)C(=O)C=C1C3=CC(O)=C(OC)C=C3 is 3'-Hydroxy-4',5,6,7,8-pentamethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C=1C=CC=C2NC=C(C12)CCCC([O-])=O C=1C=CC=C2NC=C(C12)CCCC([O-])=O is an  indol-3-yl carboxylic acid anion that is the conjugate base of  indole-3-butyric acid, arising from the deprotonation of the carboxy group. It is also related to or classified as indol-3-yl carboxylic acid anion .
The molecule CC1=C(C=C(C=C1)O)C is a member of the class of phenols that is phenol substituted by methyl groups at positions 3 and 4. It derives from a hydride of an o-xylene.
The molecule CC1(C)CC(COS(=O)(=O)c2ccc(Cl)cc2)C(=O)O1 CC1(C)CC(COS(=O)(=O)c2ccc(Cl)cc2)C(=O)O1 is A butan-4-olide having a (4-chlorophenylsulfonyloxy)methyl group at the 3-position and two methyl substituents at the 5-position. It is also related to or classified as butan-4-olide , arenesulfonate ester , monochlorobenzenes .
The molecule C=1(C=C(C2=C(C1)OCC(C2=O)C=3C(=C(C(=CC3)O)OC)OC)O)O C=1(C=C(C2=C(C1)OCC(C2=O)C=3C(=C(C(=CC3)O)OC)OC)O)O is parvisoflavanone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C is a cholanic acid conjugate anion that is the conjugate base of 7-oxotaurolithocholic acid, obtained by deprotonation of the sulfonic acid group; major species at pH 7.3. It is a cholanic acid conjugate anion and an organosulfonate oxoanion. It is a conjugate base of a 7-oxotaurolithocholic acid.
The molecule C1=C(C(=CC2=C1[C@@H]([NH2+]CC2)CC3=CC=C(C(=C3)O)OC)OC)O C1=C(C(=CC2=C1[C@@H]([NH2+]CC2)CC3=CC=C(C(=C3)O)OC)OC)O is A secondary ammonium ion that is the conjugate acid of (S)-norreticuline, resulting from the protonation of the secondary amino group. The major species at pH 7.3. It is a conjugate acid of (S)-norreticuline . It is also related to or classified as norreticuline(1+)  . It is also related to or classified as secondary ammonium ion  .
The molecule C[C@H]1[C@H]2C(=O)C[C@]3([C@@](O2)([C@H]([C@H](O3)C)C(=O)O)O[C@@H]1[C@H](C)/C=C(\\C)/C=C/C(=C\\4/C(=O)CNC4=O)/O)C is an organic heterotricyclic compound and tetramic acid derivative isolated from a mutant strain of Saccharothrix syringae. Nocamycin E exhibits considerably lower antibacterial activity than the corresponding methyl ester, nocamycin I. It has a role as a bacterial metabolite. It is a gamma-lactam, an enol, a monocarboxylic acid, an olefinic compound, an organic heterotricyclic compound, a spiroketal and a member of tetramic acids. It is a conjugate acid of a nocamycin E(2-).
The molecule CC(=C)[C@@H]1CC2OC2(C)C(=C)C1 CC(=C)[C@@H]1CC2OC2(C)C(=C)C1 is A bicyclic epoxide derived from (4S)-limonene. It is also related to or classified as epoxide  .
The molecule O(C1=CC2=C(C(C(=CO2)C3=CC(=C(C=C3OC)OC)OC)=O)C=C1)[C@H]4[C@H](C([C@@H](C(O4)CO)O)O)O O(C1=CC2=C(C(C(=CO2)C3=CC(=C(C=C3OC)OC)OC)=O)C=C1)[C@H]4[C@H](C([C@@H](C(O4)CO)O)O)O is 7-hydroxy-2',4',5'-trimethoxyisoflavone 7-O-glucoside. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule CCCCC/C=C\\C/C=C\\C=C\\C=C\\[C@H]([C@H](CCCC(=O)[O-])O)O is a dihydroxyicosatetraenoate that is the conjugate base of (5S,6R)-dihydroxy-(7E,9E,11Z,14Z)-icosatetraenoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a conjugate base of a (5S,6R)-dihydroxy-(7E,9E,11Z,14Z)-icosatetraenoic acid.
The molecule O(C1CC(CCC1O)CC(C2OC(=O)C3N(CCCC3)C(=O)C(=O)C4(OC(CCC4C)CC(OC)C(C)=CC=CC=CC(CC(C(=O)CC(O)C(=CC(C(=O)C2)C)C)C)C)O)C)C O(C1CC(CCC1O)CC(C2OC(=O)C3N(CCCC3)C(=O)C(=O)C4(OC(CCC4C)CC(OC)C(C)=CC=CC=CC(CC(C(=O)CC(O)C(=CC(C(=O)C2)C)C)C)C)O)C)C is Demethoxyrapamycin. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule O1C(C(O)C(O)C2=C1C=C(O)C3=C2N(C4=C(C3=O)C=CC(O)=C4OC)C)(C)C O1C(C(O)C(O)C2=C1C=C(O)C3=C2N(C4=C(C3=O)C=CC(O)=C4OC)C)(C)C is Dihydroxycitracridone I. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule C1=C(C(=CC2=C1[C@@H]([NH2+]CC2)CC3=CC=C(C(=C3)OC)OC)OC)O C1=C(C(=CC2=C1[C@@H]([NH2+]CC2)CC3=CC=C(C(=C3)OC)OC)OC)O is (S)-norcodamine(1+). Its functional parent is norreticuline . It is also related to or classified as organic molecular entity .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 is 1-cyclohexyl-3-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC2=C(C(=C1O)O)OC(CC2=O)C3=CC(=C(C(=C3)OC)OC4C(C(C(C(O4)CO)O)O)O)OC C1=CC2=C(C(=C1O)O)OC(CC2=O)C3=CC(=C(C(=C3)OC)OC4C(C(C(C(O4)CO)O)O)O)OC is 7,8,4'-trihydroxy-3',5'-dimethoxyflavanone 4'-O-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H]1CCC/C=C\\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C is an epothilone that is 1-oxacyclohexadec-13-ene-2,6-dione which is substituted by hydroxy groups at positions 4 and 9, methyl groups at positions 5, 5, 7, and 9, and by a (1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl group at position 16 (the 4S,7R,8S,9S,13Z,16S stereoisomer).
The molecule CC1(C)CC(COS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)C(=O)O1 CC1(C)CC(COS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)C(=O)O1 is A butan-4-olide having a (4-nitrophenylsulfonyloxy)methyl group at the 3-position and two methyl substituents at the 5-position. It is also related to or classified as butan-4-olide , C-nitro compound , arenesulfonate ester .
The molecule [NH2+](CCC[NH2+]CCC[NH3+])CCCCNC(N)=[NH2+] [NH2+](CCC[NH2+]CCC[NH3+])CCCCNC(N)=[NH2+] is major microspecies at pH 7.3. Its functional parent is N(1)-aminopropylagmatine(3+) . It is also related to or classified as ammonium ion derivative , polyazaalkane .
The molecule c1cc2ccccc2o1 c1cc2ccccc2o1 is A benzofuran consisting of fused benzene and furan rings. It is the parent compound of the class of 1-benzofurans. It is also related to or classified as benzofuran  . It is also related to or classified as 1-benzofurans .
The molecule CC(=O)NC1=CC2=C(C(=C(C=C2C=C1)S(=O)(=O)[O-])N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])O.[Na+].[Na+] is an azo compound having a ({[(2-sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl moiety attached at position 2 of a multi-substituted naphthalene. It has a role as a dye. It is an azo compound, a sulfone and an organic sodium salt. It contains a remazole orange-3R(2-).
The molecule OCCN(CC(O)=O)CC(O)=O OCCN(CC(O)=O)CC(O)=O is an amino dicarboxylic acid that is glycine in which both hydrogens attached to the nitrogen is substituted by a carboxymethyl group and a 2-hydroxyethyl group. It has the role of chelator . Its functional parent is ethanolamine . Its functional parent is iminodiacetic acid . Its functional parent is propionic acid . It is also related to or classified as glycine derivative , amino dicarboxylic acid .
The molecule C1=C(C=C(C(=C1O)O)O)C=2OC3=C(C(C2O[C@H]4C([C@H]([C@H](C(O4)C)O[C@H]5[C@H](C([C@@H](C(O5)COC(=O)C)O)OC(=O)C)O)OC(=O)C)OC(=O)C)=O)C(=CC(=C3)O)O C1=C(C=C(C(=C1O)O)O)C=2OC3=C(C(C2O[C@H]4C([C@H]([C@H](C(O4)C)O[C@H]5[C@H](C([C@@H](C(O5)COC(=O)C)O)OC(=O)C)O)OC(=O)C)OC(=O)C)=O)C(=CC(=C3)O)O is myricetin 3-(3'''-6'''-diacetylglucosyl)-(1->4)-(2'',3''-diacetylrhamnoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O[Mo](=O)(=O)O[Mo](=O)(=O)[O-] is a monovalent inorganic anion that consists of dimolybdic acid where one of the two OH groups has been deprotonated. It is a molybdenum oxoanion and a monovalent inorganic anion. It is a conjugate base of a dimolybdic acid. It is a conjugate acid of a dimolybdate(2-).
The molecule C([C@@H](C(=O)O)N)ONC(=O)N is a serine derivative that is L-serine in which the hydroxyl hydrogen is replaced by a ureido group. It has a role as a metabolite. It is a member of ureas, a L-serine derivative and a non-proteinogenic L-alpha-amino acid. It derives from a L-serine. It is a tautomer of an O-ureido-L-serine zwitterion.
The molecule O1C2=C(C(=O)C(OC)=C1C3=CC(OC)=C(OC)C=C3)C(O)=CC(OC)=C2OC O1C2=C(C(=O)C(OC)=C1C3=CC(OC)=C(OC)C=C3)C(O)=CC(OC)=C2OC is 5-Hydroxy-3,3',4',7,8-pentamethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O=C1NC(=O)NC1CCCCO O=C1NC(=O)NC1CCCCO is an imidazolidine-2,4-dione substituted by a 4-hydroxybutyl group at position 5. It is also related to or classified as primary alcohol  . It is also related to or classified as imidazolidine-2,4-dione .
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)CNC 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)CNC is N-[(3S,9S,10S)-12-[(2R)-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]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1(=CC(=C2C(=C1)O[C@@H]([C@H](C2)O)C3=CC(=C(C(=C3)OC)O)OC)O[C@H]4[C@H](C([C@@H](C(O4)CO)O)O)O)OC C1(=CC(=C2C(=C1)O[C@@H]([C@H](C2)O)C3=CC(=C(C(=C3)OC)O)OC)O[C@H]4[C@H](C([C@@H](C(O4)CO)O)O)O)OC is plumerubroside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1[C@@H](C[C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@H]2O)O[C@H]3[C@@H](O[C@H]([C@@H]([C@@H]3O)O)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)OP(=O)(O)OP(=O)(O)OC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(\\C)/CCC=C(C)C)CO)O)C)CO)O)O)O is a polyprenyl glycosyl phosphate consisting of alpha-D-abequosyl-(1->3)-alpha-D-mannosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-beta-D-galactose attached at the 1-position to decaprenyl phosphate. It is a conjugate acid of an alpha-D-abequosyl-(1->3)-alpha-D-mannosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-beta-D-galactosyl-1-diphosphodecaprenol(2-).
The molecule OC(CNCC(O)C)C OC(CNCC(O)C)C is A secondary amino compound that is diethanolamine substituted by methyl groups at positions 1 and 1'. It is a versatile chemical used in a variety of personal care, cosmetic and industrial products. It has the role of surfactant . It has the role of buffer . It has the role of emulsifier . Its functional parent is 1-aminopropan-2-ol .  It is also related to or classified as secondary alcohol  . It is also related to or classified as aminodiol , secondary amino compound .
The molecule C12=C(C(C(=C(O1)C3=CC=C(C=C3)OC)O)=O)C(=CC(=C2CCC(C)(C)OC)O[C@H]4[C@H](C([C@@H](C(O4)CO)O)O)O)O C12=C(C(C(=C(O1)C3=CC=C(C=C3)OC)O)=O)C(=CC(=C2CCC(C)(C)OC)O[C@H]4[C@H](C([C@@H](C(O4)CO)O)O)O)O is Caohuoside D. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H+].CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl is an organic cation obtained by protonation of cariprazine. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a cariprazine.
The molecule C12=C(C=CC=C1)N=C3[C@]([C@@]4(/C(/C[NH+]5[C@@H](C4)[C@]32CC5)=C\C)[H])(C(=O)OC)C(O)O C12=C(C=CC=C1)N=C3[C@]([C@@]4(/C(/C[NH+]5[C@@H](C4)[C@]32CC5)=C\C)[H])(C(=O)OC)C(O)O is major species at pH 7.3. It is also related to or classified as organic cation , organic heterotetracyclic compound , monoterpenoid indole alkaloid .
The molecule C=1(C=CC=CC1)CCCN C=1(C=CC=CC1)CCCN is A phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 3-aminopropyl group.   It is also related to or classified as phenylalkylamine  . It is also related to or classified as benzenes , primary amino compound .
The molecule [O-]C(=O)CS([O-])(=O)=O [O-]C(=O)CS([O-])(=O)=O is an organosulfonate oxoanion that is the dianion of sulfoacetic acid arising from deprotonation of carboxylic acid and sulfo groups. It is also related to or classified as alkanesulfonate oxoanion  . It is also related to or classified as monocarboxylic acid anion  .
The molecule [NH3+][C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12)C([O-])=O [NH3+][C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12)C([O-])=O is zwitterionic form of S-inosyl-L-homocysteine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule OC(=O)CCCCCCCN OC(=O)CCCCCCCN is an omega-amino fatty acid that is octanoic acid which carries an amino group at position 8. It has the role of human metabolite . It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as omega-amino fatty acid .
The molecule CC1(C)CC(COS(=O)(=O)c2ccccc2)C(=O)O1 CC1(C)CC(COS(=O)(=O)c2ccccc2)C(=O)O1 is A butan-4-olide having a (phenylsulfonyloxy)methyl group at the 3-position and two methyl substituents at the 5-position.  It is also related to or classified as benzenesulfonate ester  . It is also related to or classified as butan-4-olide .
The molecule C1(=C(C2=C(C(C(=CO2)C3=CC=C(C(=C3)OC)OC)=O)C(=C1)O[C@H]4[C@H](C([C@@H](C(O4)CO)O)O)O[C@H]5[C@H](C([C@H](C(O5)C)O)O)O)C)OC C1(=C(C2=C(C(C(=CO2)C3=CC=C(C(=C3)OC)OC)=O)C(=C1)O[C@H]4[C@H](C([C@@H](C(O4)CO)O)O)O[C@H]5[C@H](C([C@H](C(O5)C)O)O)O)C)OC is 5-hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-O-neohesperidoside. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)COP(=O)(O)OCCN is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as oleoyl and palmitoyl respectively. It derives from an oleic acid and a hexadecanoic acid. It is a tautomer of a 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine zwitterion.
The molecule CC1(C)CC(CSC#N)C(=O)O1 CC1(C)CC(CSC#N)C(=O)O1 is A butan-4-olide having a thiocyanatomethyl group at the 3-position and two methyl substituents at the 5-position.  It is also related to or classified as thiocyanates  . It is also related to or classified as butan-4-olide .
The molecule C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C is a N-acylglycinate that is the conjugate base of glycodeoxycholic acid. It has a role as a human metabolite. It is a conjugate base of a glycodeoxycholic acid.
The molecule O1C=2C(=C(O)C(OC)=C(OC)C2OC)C(=O)C(OC)=C1C3=CC=C(OC)C=C3 O1C=2C(=C(O)C(OC)=C(OC)C2OC)C(=O)C(OC)=C1C3=CC=C(OC)C=C3 is 5-Hydroxyauranetin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)O)[H])(CC[C@@]4([C@H](C)C(CCC(C)C)=O)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)O)[H])(CC[C@@]4([C@H](C)C(CCC(C)C)=O)[H])[H])C)[H])C is A 3beta-sterol that is cholesterol carrying an oxo group at position 22. It has the role of EC 1.14.15.6 cholesterol monooxygenase (side-chain-cleaving) inhibitor . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 3beta-sterol  . It is also related to or classified as cholestanoid .
The molecule C1[C@@H]([C@H]1N)C2=CC=CC=C2.Cl is a hydrochloride obtained by combining (1S,2R)-tranylcypromine with one equivalent of hydrochloric acid. It contains a (1S,2R)-tranylcypromine(1+). It is an enantiomer of a (1R,2S)-tranylcypromine hydrochloride.
The molecule C1(=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)O[C@H]4[C@H](C([C@@H](C(O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)OC(=O)C)O C1(=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)O[C@H]4[C@H](C([C@@H](C(O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)OC(=O)C)O is apigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCC[C@@H](C(=O)O)N is an L-lysine derivative with a dansyl group at the N(6)-position. It has a role as an epitope. It is a L-lysine derivative, a non-proteinogenic L-alpha-amino acid and a sulfonamide.
The molecule O=C1C2=C(OC(=C1)C)O[C@]3(CC[C@H]4[C@]([C@@H]3C2)(CC[C@@H]5[C@@]4(CCC(C5(C)C)=O)C)C)C O=C1C2=C(OC(=C1)C)O[C@]3(CC[C@H]4[C@]([C@@H]3C2)(CC[C@@H]5[C@@]4(CCC(C5(C)C)=O)C)C)C is Chevalone F. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1C2=C(C(OC)=C(OC)C(OC)=C2OC)C(=O)C=C1C3=CC(OC)=C(O)C=C3 O1C2=C(C(OC)=C(OC)C(OC)=C2OC)C(=O)C=C1C3=CC(OC)=C(O)C=C3 is 4'-Hydroxy-3',5,6,7,8-pentamethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C is N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C=12O[C@H]([C@@H](C1C=C(C=C2OC)CCCO)CO)C3=CC(=C(C=C3)O)OC C=12O[C@H]([C@@H](C1C=C(C=C2OC)CCCO)CO)C3=CC(=C(C=C3)O)OC is (2R,3S)-dihydrodehydrodiconiferyl alcohol. It is also related to or classified as guaiacols  . It is also related to or classified as primary alcohol  . It is also related to or classified as 1-benzofurans , guaiacyl lignin .
The molecule CCCCCCCCCCCCCCCCCc1cccc(O)c1O CCCCCCCCCCCCCCCCCc1cccc(O)c1O is catechol substituted at position 3 with a heptadecyl group. It is also related to or classified as catechols  .
The molecule C1(=CC(=C(C(=C1)OC)C(CCC2=CC=C(C=C2)O[C@H]3[C@H](C([C@@H](C(O3)CO)O)O)O)=O)OC)OC C1(=CC(=C(C(=C1)OC)C(CCC2=CC=C(C=C2)O[C@H]3[C@H](C([C@@H](C(O3)CO)O)O)O)=O)OC)OC is Bidenoside B. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CSCCCCCCCCN is a primary amino compound that is octylamine in which one of the methyl hydrogens at position 8 has been replaced by a methylthio group. It has a role as a plant metabolite. It is a primary amino compound and an aliphatic sulfide.
The molecule O=C1C=CC=2[C@]34O[C@@]5(OC(C)(C)[C@H]([C@H]5O)C)[C@@H](C)[C@H]([C@@]3(C)CCC2[C@]1(CCC(=O)C)C)CC4 O=C1C=CC=2[C@]34O[C@@]5(OC(C)(C)[C@H]([C@H]5O)C)[C@@H](C)[C@H]([C@@]3(C)CCC2[C@]1(CCC(=O)C)C)CC4 is Blazeispirol Z1. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H][C@@]12CC[C@]34CC[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)[C@H](C)C4 [H][C@@]12CC[C@]34CC[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)[C@H](C)C4 is atisane. It is also related to or classified as diterpene  . It is also related to or classified as terpenoid fundamental parent .
The molecule C[C@@H](NCCC(O)=O)C(O)=O C[C@@H](NCCC(O)=O)C(O)=O is the N-(2-carboxyethyl) derivative of L-alanine. It is a conjugate acid of (R)-beta-alanopine(1-) . It is also related to or classified as beta-alanopine  .
The molecule C=12O[C@@H]([C@H](C1C=C(C=C2OC)CCCO)CO)C3=CC(=C(C=C3)O)OC C=12O[C@@H]([C@H](C1C=C(C=C2OC)CCCO)CO)C3=CC(=C(C=C3)O)OC is (2S,3R)-dihydrodehydrodiconiferyl alcohol. It is also related to or classified as guaiacols  . It is also related to or classified as primary alcohol  . It is also related to or classified as 1-benzofurans , guaiacyl lignin .
The molecule CCCCCCCCCCCCCCCc1c(C)c(C)c(C)c(O)c1O CCCCCCCCCCCCCCCc1c(C)c(C)c(C)c(O)c1O is catechol substituted at positions 3, 4 and 5 (4, 5 and 6) with methyl groups and at position 6 (3) with a pentadecyl group. It has the role of allergen . It has the role of hapten . It is also related to or classified as catechols  .