anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)C[C@@H](O)C[C@@]21OC3=O [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)C[C@@H](O)C[C@@]21OC3=O is A C19-gibberellin, initially identified in Pharbitis nil. It differs from gibberellin A1 in lacking a beta-OH at C-2 but possessing one at C-3 (gibbane numberings). It has the role of plant metabolite .  It is also related to or classified as lactone  . It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule O=C(O)[C@@H](N)CC(=O)OCC1=CC=CC=C1 O=C(O)[C@@H](N)CC(=O)OCC1=CC=CC=C1 is L-aspartic acid beta-benzyl ester. It is also related to or classified as aspartic acid derivative .
The molecule F[Mo--](F)(F)(F)(F)(F)(F)F F[Mo--](F)(F)(F)(F)(F)(F)F is octafluoromolybdate(2-). It is also related to or classified as molybdenum coordination entity , perfluorometallate anion .
The molecule 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)C([O-])=O)O)OS(=O)(=O)[O-])O)O)C=3C=CC(=CC3)OC.[Na+].[Na+] 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)C([O-])=O)O)OS(=O)(=O)[O-])O)O)C=3C=CC(=CC3)OC.[Na+].[Na+] is an organic sodium salt that is the disodium salt of beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-OMe. It is also related to or classified as organic sodium salt .
The molecule S1SSCC(C1)N(C)C.C(C(=O)O)(=O)O S1SSCC(C1)N(C)C.C(C(=O)O)(=O)O is an oxalate salt resulting from the formal reaction of equimolar amounts of thiocyclam and oxalic acid. A nicotinic acetylcholine receptor agonist, it was used as a broad-spectrum insecticide. It is not approved for use within the European Union. It has the role of insecticide . It has the role of agrochemical . It has the role of nicotinic acetylcholine receptor agonist . It is also related to or classified as oxalate salt .
The molecule C1=CC=C(C=C1)CC2=NC(=CN=C2NC(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)O is an aromatic amide obtained by formal condensation of the carboxy group of phenylacetic acid with the exocyclic amino group of 4-(5-amino-6-benzylpyrazin-2-yl)phenol. It has a role as a member of oxidized luciferins. It is a member of pyrazines, a member of phenols and an aromatic amide. It derives from a Renilla luciferin. It is a conjugate acid of an oxidized Renilla luciferin(1-).
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C[C@H](CCCCCCC/C=C\CCCCCC)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C[C@H](CCCCCCC/C=C\CCCCCC)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is an (S)-3-hydroxyacyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3S,11Z)-3-hydroxyoctadecenoyl-CoA; major species at pH 7.3. It is also related to or classified as (S)-3-hydroxyacyl-CoA(4-)  .
The molecule Cc1c(cc(NO)cc1[N+]([O-])=O)[N+]([O-])=O Cc1c(cc(NO)cc1[N+]([O-])=O)[N+]([O-])=O is A member of the class of nitrotoluenes that is 2,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 4. It has the role of xenobiotic metabolite . It is also related to or classified as hydroxylamines , nitrotoluene .
The molecule C=Cc1cncc2C(=O)OCCc12 C=Cc1cncc2C(=O)OCCc12 is gentianine. It is also related to or classified as lactone  . It is also related to or classified as pyridine alkaloid , pyranopyridine .
The molecule C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1[C@H](C[C@@H]3OC(=O)C)OC(=O)C)C)O)C(=C)C(=O)O2 is a sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2(3H)-one substituted by acetyloxy groups at positions 5 and 7, a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3. It has been isolated from the aerial parts of Inula hupehensis. It has a role as a metabolite, an anti-inflammatory agent and a plant metabolite. It is a gamma-lactone, an organic heterotricyclic compound, a sesquiterpene lactone, an acetate ester and a secondary alcohol.
The molecule C[C@H]1OC(C[C@@H](O)C1=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O C[C@H]1OC(C[C@@H](O)C1=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O is A dTDP-sugar having 4-dehydro-2,6-dideoxy-D-glucose as the sugar component. Its functional parent is dTDP-D-glucose . It is also related to or classified as dTDP-sugar  . It is also related to or classified as secondary alpha-hydroxy ketone  .
The molecule 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)C([O-])=O)O)OS(=O)(=O)[O-])O)O)C=3C=CC(=CC3)OC 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)C([O-])=O)O)OS(=O)(=O)[O-])O)O)C=3C=CC(=CC3)OC is the carbohydrate acid derivative anion formed from beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-OMe by loss of two protons, one from each of its sulfo and carboxy groups. It is also related to or classified as organosulfate oxoanion  . It is also related to or classified as carbohydrate acid derivative anion .
The molecule S1SSCC(C1)N(C)C S1SSCC(C1)N(C)C is an organosulfur heterocyclic compound that is 1,2,3-trithiane in which one of the hydrogens at position 5 has been replaced by a dimethylamino group. A nicotinic acetylcholine receptor agonist, it was used (particularly as its hydrogen oxalate salt, known as thyocyclam oxalate) as a broad-spectrum insecticide, but it is also toxic to bees, fish and other aquatic organisms. It is not approved for use within the European Union. It has the role of agrochemical . It has the role of nicotinic acetylcholine receptor agonist . It is also related to or classified as organosulfur heterocyclic compound , nereistoxin analogue insecticide .
The molecule [Rb+] [Rb+] is rubidium(1+). It is also related to or classified as monoatomic monocation  . It is also related to or classified as alkali metal cation , rubidium molecular entity , monovalent inorganic cation .
The molecule S(C=1C2=NC=CC3=C2N(C=4C=CC=CC34)C(C1)=O)C S(C=1C2=NC=CC3=C2N(C=4C=CC=CC34)C(C1)=O)C is 4-(Methylthio)canthin-6-one. It is also related to or classified as alkaloid  . It is also related to or classified as organic heterotetracyclic compound .
The molecule [Cn] [Cn] is A zinc group element atom with a symbol Cn and atomic number 112. All its isotopes are intensely radioactive. Prior to its discovery, it had the placeholder name ununbium (in accordance with IUPAC recommendations). Following its discovery (in Darmstadt, 1996) and subsequent confirmation, the name copernicium was adopted in 2010. It is also related to or classified as zinc group element atom .
The molecule CC(=O)N[C@@H](CCS(=N)(=O)C)C(=O)[O-] is an N-acyl-L-alpha-amino acid anion that is the conjugate base of N-acetyl-L-methionine sulfoximine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a N-acetyl-L-methionine sulfoximine.
The molecule O=C(NCCCC(O)=O)CCCCCCCCCCCCCCCCC O=C(NCCCC(O)=O)CCCCCCCCCCCCCCCCC is N-Stearoyl GABA. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A branched amino octasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc in which the mannosyl group is substituted at position 3 by a beta-D-GalNAc-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man group and at position 6 by a beta-D-GlcNAc-(1->2)-alpha-D-Man group. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino octasaccharide , amino sugar .
The molecule OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)n1ccc(=O)[nH]c1=O OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)n1ccc(=O)[nH]c1=O is A pyrimidine ribonucleoside 2'-monophosphate having uracil as the nucleobase. It is a conjugate acid of uridine 2'-phosphate(2-) . It is also related to or classified as uridine phosphate , pyrimidine ribonucleoside 2'-monophosphate .
The molecule 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)C(O)=O)O)OS(=O)(=O)O)O)O)C=3C=CC(=CC3)OC 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)C(O)=O)O)OS(=O)(=O)O)O)O)C=3C=CC(=CC3)OC is A beta-D-galactoside that is the 4-methoxyphenyl glycoside of a disaccharide consisting of a 3-O-sulfo-beta-D-glucuronic acid residue linked (1->3) to beta-D-galactose. It is a conjugate acid of beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-OMe(2-) . It is also related to or classified as beta-D-galactoside  . It is also related to or classified as disaccharide derivative .
The molecule S1SSCC(C1)[NH+](C)C S1SSCC(C1)[NH+](C)C is an organic cation resulting from the protonation of the amino group of thiocyclam. It is a conjugate acid of thiocyclam . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule O=C(OC)C1=C(C=C(CCC)N=C1)/C=C(/C(=O)C)\CC(=O)CCCCC O=C(OC)C1=C(C=C(CCC)N=C1)/C=C(/C(=O)C)\CC(=O)CCCCC is Monasnicotinate D. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule O[C@H](C/C=C\CCCCC)/C=C/C=C/CCC(=O)CC(O)=O O[C@H](C/C=C\CCCCC)/C=C/C=C/CCC(=O)CC(O)=O is (6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid. It is also related to or classified as hydroxy fatty acid , octadecatrienoic acid , hydroxy monocarboxylic acid .
The molecule [Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O [Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O is the calcium salt of (2xi)-D-gluco-heptonic acid. It is used as a calcium supplement for treatment of hypocalcaemia. It is also related to or classified as calcium salt .
The molecule CCC(C)C(=O)O[C@H]1CC[C@]([C@]23[C@@]1([C@H]([C@H]([C@H]([C@H]2OC(=O)C(C)CC)C(O3)(C)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=COC=C5)COC(=O)C)(C)O is a dihydroagarofuran sesquiterpenoid that is beta-dihydroagarofuran substituted by methylbutanoyloxy groups at positions 1 and 6, a hydroxy group at position 4, a benzoyloxy group at position 8, a furancarbonyloxy group at positon 9 and an acetyloxy group at position 13. Isolated from Euonymus nanoides, it exhibits cytotoxic activity. It has a role as a metabolite and an antineoplastic agent. It is a dihydroagarofuran sesquiterpenoid, a bridged compound, a cyclic ether, an acetate ester and a benzoate ester. It derives from a 3-furoic acid and a 2-methylbutyric acid.
The molecule O1C(C(O)C(O)C(O)C1OC2=C(OC)C=C(C=C2)/C=C/C(=O)C=3C(OC)=CC(OC)=CC3O)CO O1C(C(O)C(O)C(O)C1OC2=C(OC)C=C(C=C2)/C=C/C(=O)C=3C(OC)=CC(OC)=CC3O)CO is 4,2'-Dihydroxy-3,4',6'-trimethoxychalcone 4-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H][C@]12CC[C@]3([H])[C@](CC1=C)(C2)[C@@H](C(O)=O)[C@]1([H])[C@@]2(C)[C@@H](O)CC[C@@]31OC2=O [H][C@]12CC[C@]3([H])[C@](CC1=C)(C2)[C@@H](C(O)=O)[C@]1([H])[C@@]2(C)[C@@H](O)CC[C@@]31OC2=O is A C19-gibberellin, initially identified in Gibberella fujikuroi and differing from gibberellin A1 by the substitution of the OH at C-7 (gibbane numbering) by H. It has the role of plant metabolite . It is a conjugate acid of gibberellin A4(1-) .  It is also related to or classified as lactone  . It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule O1[C@H](O[C@@H]2C(=C[C@H](N[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5C(=C[C@H](N[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@H]%10[C@H](O)[C@@H](O)[C@H](O)O[C@@H]%10CO)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6C)[C@@H]([C@H]5O)O)CO)O[C@@H]4CO)O[C@@H]3C)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]%11O[C@@H]([C@@H](N[C@H]%12C=C([C@@H](O[C@H]%13O[C@@H]([C@@H](O[C@H]%14O[C@@H]([C@@H](N[C@H]%15C=C([C@@H](O)[C@@H]([C@H]%15O)O)CO)[C@@H]([C@H]%14O)O)C)[C@@H]([C@H]%13O)O)CO)[C@@H]([C@H]%12O)O)CO)[C@@H]([C@H]%11O)O)C O1[C@H](O[C@@H]2C(=C[C@H](N[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5C(=C[C@H](N[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@H]%10[C@H](O)[C@@H](O)[C@H](O)O[C@@H]%10CO)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6C)[C@@H]([C@H]5O)O)CO)O[C@@H]4CO)O[C@@H]3C)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]%11O[C@@H]([C@@H](N[C@H]%12C=C([C@@H](O[C@H]%13O[C@@H]([C@@H](O[C@H]%14O[C@@H]([C@@H](N[C@H]%15C=C([C@@H](O)[C@@H]([C@H]%15O)O)CO)[C@@H]([C@H]%14O)O)C)[C@@H]([C@H]%13O)O)CO)[C@@H]([C@H]%12O)O)CO)[C@@H]([C@H]%11O)O)C is Acarviostatin IV03. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule OC1[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[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C([O-])=O)O)OS(=O)(=O)[O-])O)O)O)NC(=O)C.[Na+].[Na+] OC1[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[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C([O-])=O)O)OS(=O)(=O)[O-])O)O)O)NC(=O)C.[Na+].[Na+] is an organic sodium salt that is the disodium salt of beta-D-GlcA3S-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc. It is also related to or classified as organic sodium salt .
The molecule Cl[C@@H]1C(=O)N[C@@H]([C@@H]1OC2=CC=C(O)C=C2)COC(=O)C Cl[C@@H]1C(=O)N[C@@H]([C@@H]1OC2=CC=C(O)C=C2)COC(=O)C is Aegyptolidine A. It is also related to or classified as phenols  . It is also related to or classified as aromatic ether .
The molecule O1C(C(OC(=O)/C=C/C2=CC=C(O)C=C2)C(OC(=O)C)C(OC(=O)/C=C\C3=CC=C(O)C=C3)C1OC4=C(OC=5C(C4=O)=C(O)C=C(O)C5)C6=CC=C(O)C=C6)COC(=O)C O1C(C(OC(=O)/C=C/C2=CC=C(O)C=C2)C(OC(=O)C)C(OC(=O)/C=C\C3=CC=C(O)C=C3)C1OC4=C(OC=5C(C4=O)=C(O)C=C(O)C5)C6=CC=C(O)C=C6)COC(=O)C is Kaempferol 3-(3'',6''-diacetyl-2'',4''-di-p-coumaroylrhamnoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule COC1=CC(=C(C(=C1/C=C/C(=O)C2=C(C(=C(C(=C2OC)OC)OC)OC)O)OC)OC)OC is a member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 2' and methoxy groups at positions 2, 3, 4, 6, 3', 4', 5' and 6'. It is a member of chalcones, a member of methoxybenzenes and a member of phenols. It derives from a trans-chalcone.
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C(O)=C(C=C2)C(=O)/C=C/C3=CC(OC)=C(O)C=C3)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C(O)=C(C=C2)C(=O)/C=C/C3=CC(OC)=C(O)C=C3)CO is 2',4',4-Trihydroxy-3',3-dimethoxychalcone 4'-O-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OC1[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[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C([O-])=O)O)OS(=O)(=O)[O-])O)O)O)NC(=O)C OC1[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[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C([O-])=O)O)OS(=O)(=O)[O-])O)O)O)NC(=O)C is the carbohydrate acid derivative anion formed from beta-D-GlcA3S-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc by loss of two protons, one from each of its sulfo and carboxy groups. It is also related to or classified as organosulfate oxoanion  . It is also related to or classified as carbohydrate acid derivative anion .
The molecule O=C([C@@H](N)CCCN=C(N)N)CCCCCCCCN=C(N)N O=C([C@@H](N)CCCN=C(N)N)CCCCCCCCN=C(N)N is Muscarinic receptor antagonist 1. It is also related to or classified as ketone  . It is also related to or classified as organic amino compound .
The molecule S(O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(OP(O)(O)=O)(O)=O)N2C(=O)NC(=O)C=C2)(O[C@H]([C@H](O)[C@@H](N)C(=O)C(=O)C)[C@H](O)CO)(=O)=O S(O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(OP(O)(O)=O)(O)=O)N2C(=O)NC(=O)C=C2)(O[C@H]([C@H](O)[C@@H](N)C(=O)C(=O)C)[C@H](O)CO)(=O)=O is Uridine diphosphate acetylgalactosamine 4-sulfate. It is also related to or classified as pyrimidine ribonucleoside diphosphate .
The molecule Oc1ccc(CCC(=O)c2ccc(O)cc2O)cc1 Oc1ccc(CCC(=O)c2ccc(O)cc2O)cc1 is A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2', and 4' respectively. It has the role of antioxidant . It has the role of metabolite . It has the role of anti-allergic agent . It has the role of anti-asthmatic agent . Its functional parent is dihydrochalcone . It is also related to or classified as polyphenol , dihydrochalcones .
The molecule O(C1C(O)C(O)C(OC1C2=C(O)C3=C(OC(=CC3=O)C4=CC=C(OC5OC(C(O)C(O)C5O)CO)C=C4)C=C2O)CO)C6OC(C(O)C(O)C6O)COC(=O)/C=C/C7=CC(OC)=C(O)C=C7 O(C1C(O)C(O)C(OC1C2=C(O)C3=C(OC(=CC3=O)C4=CC=C(OC5OC(C(O)C(O)C5O)CO)C=C4)C=C2O)CO)C6OC(C(O)C(O)C6O)COC(=O)/C=C/C7=CC(OC)=C(O)C=C7 is Isovitexin 2''-(6'''-feruloylglucoside) 4'-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)CCC(C)(C)O)O)O is a 23,24-dihydrocucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at position 5. It is a 23,24-dihydrocucurbitacin, a secondary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone.
The molecule O=C1C=C2[C@]([C@H]3C(O)C[C@@]4([C@](O)(C)CC[C@H]4[C@@H]3CC2)C)(C)CC1 O=C1C=C2[C@]([C@H]3C(O)C[C@@]4([C@](O)(C)CC[C@H]4[C@@H]3CC2)C)(C)CC1 is 11-hydroxy-17-methyltestosterone. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H]1OCC(O)CO)CO O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H]1OCC(O)CO)CO is A 3-D-galactosyl glycerol in which the carbon bearing the anomeric hydrogen has beta configuration. It is also related to or classified as 3-D-galactosyl glycerol  .
The molecule C12=C(C=CN=C1C=CC(=C2)C(N)=O)C=3C(=NN4C3CCC4)C=5N=C(C=CC5)C C12=C(C=CN=C1C=CC(=C2)C(N)=O)C=3C(=NN4C3CCC4)C=5N=C(C=CC5)C is A pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-betaRI (TGF-betaRI) kinase inhibitor, it blocks TGF-beta-mediated tumor growth in glioblastoma. It has the role of antineoplastic agent . It has the role of TGFbeta receptor antagonist .   It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as methylpyridines , quinolines , pyrrolopyrazole , aromatic amide .
The molecule O=C([O-])[C@@H](NC(=O)C)[C@H](O)C O=C([O-])[C@@H](NC(=O)C)[C@H](O)C is A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-threonine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule Cl[C@@H]1C=C2C(=O)C3=C(O)C4=C(O)C=C3C([C@]2(CC=C(C[C@H](O)C(C4)=C)C)OC1(C)C)=O Cl[C@@H]1C=C2C(=O)C3=C(O)C4=C(O)C=C3C([C@]2(CC=C(C[C@H](O)C(C4)=C)C)OC1(C)C)=O is Napyradiomycin C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1CC(C2=CC(C(C)(C)C=C)=C(O)C=C2OC)C(=O)C=3C1=CC(OC)=CC3O O1CC(C2=CC(C(C)(C)C=C)=C(O)C=C2OC)C(=O)C=3C1=CC(OC)=CC3O is Echinoisosophoranone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [Gd+3] [Gd+3] is gadolinium(3+).  It is also related to or classified as monoatomic trication  . It is also related to or classified as gadolinium cation , elemental gadolinium .
The molecule [H]O[Cr]([O-])(=O)=O [H]O[Cr]([O-])(=O)=O is A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in chromic acid. It is a conjugate acid of chromate(2-) . It is also related to or classified as chromium oxoanion , monovalent inorganic anion .
The molecule CCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a phosphatidylcholine O-32:1 in which the alkyl and acyl groups specified at positions 1 and 2 are tetradecyl and (9Z)-octadecenoyl respectively. It is a phosphatidylcholine O-32:1 and a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine. It derives from an oleic acid.
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)S(=O)(=O)C3=CC=CC=C3 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)S(=O)(=O)C3=CC=CC=C3 is N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2R)-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]-N-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O is A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and development in plants. Initially identified in Gibberella fujikuroi, it differs from gibberellin A1 in lacking the OH at C-7 (gibbane numbering). It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of bacterial metabolite .  It is also related to or classified as lactone  . It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
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)CC3=CC=CC=C3 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)CC3=CC=CC=C3 is (3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]35[C@@H](C[C@]2(C[C@H](C1)O)[H])O5)(CC[C@@]4([C@@H](CCCC(C)C)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]35[C@@H](C[C@]2(C[C@H](C1)O)[H])O5)(CC[C@@]4([C@@H](CCCC(C)C)C)[H])[H])C)[H])C is A cholestanoid that is lathosterol in which the double bond at position 7,8 has been oxidised to the corresponding epoxide (the 7alpha,8alpha stereoisomer). It has the role of human metabolite . Its functional parent is 5alpha-cholest-7-en-3beta-ol .  It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as epoxy steroid , cholestanoid .
The molecule C=1(C=CC=C(C1OC)OS([O-])(=O)=O)O C=1(C=CC=C(C1OC)OS([O-])(=O)=O)O is A phenyl sulfate oxoanion that is the conjugate base of 2-methoxyresorcinol sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It has the role of human blood serum metabolite . It is also related to or classified as phenyl sulfate oxoanion  .
The molecule C[C@@]1([C@@H]2C[C@@H]3C[C@H]([C@]2(CC3=C)C=CC1=O)O)CCC(=O)NC4=C(C=CC(=C4O)C(=O)OC)O is a polycyclic cage that is the methyl ester derivative of platencin A1. It is isolated from Streptomyces platensis. It has a role as a bacterial metabolite. It is a cyclic ketone, a polycyclic cage, a secondary alcohol, an aromatic amide, a methyl ester and a secondary carboxamide. It derives from a platencin A1.
The molecule CCC=C(C)C(OC(=O)[C@@H]1C(C=C(C)C)C1(C)C)C#C CCC=C(C)C(OC(=O)[C@@H]1C(C=C(C)C)C1(C)C)C#C is (EZ)-(1R)-empenthrin. It has the role of pyrethroid ester insecticide . Its functional parent is chrysanthemic acid .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as cyclopropanecarboxylate ester .