anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)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)CO)O)O)O)O)O is a linear amino trisaccharide conmprised of two (1->3)-linked beta-D-galactose residues linked (1->4) to an N-acetyl-beta-D-glucosamine residue at the reducing end. It has a role as an epitope. It is an amino trisaccharide and a glucosamine oligosaccharide.
The molecule O1C(C2=CC(OC)=C(OC(=O)C(CC)C)C=C2)=C(OC)C(=O)C=3C1=CC(O)=CC3O O1C(C2=CC(OC)=C(OC(=O)C(CC)C)C=C2)=C(OC)C(=O)C=3C1=CC(O)=CC3O is Quercetin 3,3'-dimethyl ether 4'-(2-methylbutyrate). It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CCCCC[C@@H](/C=C/C=C\\CCCCCCCC(=O)O)OO is the (S)-enantiomer of 13-HPODE It has a role as a human metabolite. It derives from an octadeca-9,11-dienoic acid. It is a conjugate acid of a 13(S)-HPODE(1-). It is an enantiomer of a (13R)-HPODE.
The molecule [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C([O-])=O)[C@]1([H])[C@@]3(C)CCC[C@@]21COC3=O [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C([O-])=O)[C@]1([H])[C@@]3(C)CCC[C@@]21COC3=O is conjugate base of gibberellin A44. It is also related to or classified as gibberellin carboxylic acid anion .
The molecule O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C=4C=C(OC5OC(C(O)C(O)C5O)CO)C(O)=C(O)C4)CO O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C=4C=C(OC5OC(C(O)C(O)C5O)CO)C(O)=C(O)C4)CO is 2-(3,4-Dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCCCC C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCCCC is A phosphatidylcholine 34:0 in which the 1- and 2-acyl groups are specified as icosanoyl (arachidyl) and tetradecanoyl (myristoyl) respectively. It has the role of mouse metabolite . It has the role of rat metabolite . Its functional parent is icosanoic acid . Its functional parent is tetradecanoic acid . It is also related to or classified as phosphatidylcholine 34:0  .
The molecule [F+][H] [F+][H] is fluoridohydrogen(.1+). It is also related to or classified as hydrogen halide  . It is also related to or classified as inorganic radical cation .
The molecule Oc1cnn(c1)-c1ccc(Cl)cc1 Oc1cnn(c1)-c1ccc(Cl)cc1 is 1-(4-chlorophenyl)-1H-pyrazol-4-ol. It is also related to or classified as pyrazoles , heteroaryl hydroxy compound , monochlorobenzenes .
The molecule CC[C@@H](C)CCCCC(=O)N[C@@H](CCNCS(=O)(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCNCS(=O)(=O)O)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCNCS(=O)(=O)O)CC(C)C)CC(C)C)CCNCS(=O)(=O)O)CCNCS(=O)(=O)O)[C@@H](C)O is colistin A in which each of the primary amino groups is converted to the corresponding aminomethanesulfonic acid, commonly by the action of formaldehyde followed by sodium bisulfite. It is a polymyxin, an amino sulfonic acid and a peptide antibiotic. It derives from a colistin A. It is a conjugate acid of a colistimethate A(5-).
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCC(NCCS(O)(=O)=O)=O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCC(NCCS(O)(=O)=O)=O)C)[H])[H])C)[H])C is A bile acid taurine conjugate derived from 7-oxolithocholic acid. Its functional parent is 7-oxolithocholic acid . It is a conjugate acid of 7-oxotaurolithocholate .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as 7-oxo steroid  . It is also related to or classified as bile acid taurine conjugate .
The molecule O=C(OC1C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C1OC(=O)c1cccnc1)c1cccnc1 O=C(OC1C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C1OC(=O)c1cccnc1)c1cccnc1 is inositol hexanicotinate. Its functional parent is nicotinic acid . It is also related to or classified as inositol nicotinate .
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(CCC(OP([O-])([O-])=O)C)=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(CCC(OP([O-])([O-])=O)C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is major microspecies at pH 7.3. It is also related to or classified as short chain fatty acyl-CoA(4-)  .
The molecule [C@@H]1([C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)NC(=O)C)O[C@@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)CO)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)OCCCCCN)O)O)NC(=O)C [C@@H]1([C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)NC(=O)C)O[C@@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)CO)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)OCCCCCN)O)O)NC(=O)C is A linear trisaccharide derivative consisting of N-acetyl-alpha-L-fucosaminyl, N-acetyl-alpha-D-galactosaminyl and alpha-D-galactosyl residues linked sequentially (1->3) and (1->4), and at the reducing end linked glycosidically to a 5-aminopentyl group. It is also related to or classified as glycoside  . It is also related to or classified as trisaccharide derivative .
The molecule O(CC1=CC=C(OC)C=C1)C(=O)CC O(CC1=CC=C(OC)C=C1)C(=O)CC is 4-Methoxybenzyl propanoate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[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)O)O)NC(=O)C)O[C@H]5[C@H]([C@@H]([C@H](O[C@@H]5OC[C@@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O[C@@H]8[C@H](OC([C@@H]([C@H]8O)NC(=O)C)O)CO)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[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)NC(=O)C)O)CO)O)O)CO)O)O)O is an amino oligosaccharide that is a tridecasaccharide derivative in which two alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl branched pentasaccharide chains are linked (1->3) and (1->6) to the mannose residue of a beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine trisaccharide. It is an amino oligosaccharide and a glucosamine oligosaccharide.
The molecule C1=C2C(CC[C@]3([C@@]4(C[C@@H]([C@@H]([C@]4(CC[C@@]32[H])C)O)O)[H])[H])=CC(=C1)O C1=C2C(CC[C@]3([C@@]4(C[C@@H]([C@@H]([C@]4(CC[C@@]32[H])C)O)O)[H])[H])=CC(=C1)O is A 3-hydroxy steroid that is 17beta-estradiol substituted by a beta-hydroxy group at position 16. It has the role of anti-inflammatory drug . It has the role of human xenobiotic metabolite . Its functional parent is 17beta-estradiol . It is also related to or classified as 16beta-hydroxy steroid  . It is also related to or classified as phenolic steroid  . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as phenols  . It is also related to or classified as 3-hydroxy steroid .
The molecule CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)OCC)O)[N+](=O)[O-])/C#N is a C-nitro compound that is entacapone in which the phenolic hydroxy group that is meta to the nitro group has been converted into the corresponding ethyl ether. It is a monocarboxylic acid amide, a nitrile, an aromatic ether and a member of 2-nitrophenols. It derives from a 5-nitrovanillin and an entacapone.
The molecule C(CN)OP(=O)(O)OC[C@H](OC(CCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCCCCCC C(CN)OP(=O)(O)OC[C@H](OC(CCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCCCCCC is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as docosanoyl and pentadecanoyl respectively. It has the role of mouse metabolite . It has the role of rat metabolite . Its functional parent is docosanoic acid . Its functional parent is pentadecanoic acid . It is also related to or classified as phosphatidylethanolamine 37:0  . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .
The molecule C([C@H]1[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](O[C@@H]([C@H]([C@H]4O)O)O)CO)COP(=O)(O)O)O)CO)O)O)O)O)O is a tetrasaccharide derivative that is the tetrasaccharide phosphate corresponding to the oligosaccharide repeating unit of Leishmania major promastigote lipophosphoglycan. It has a role as an epitope. It is an oligosaccharide phosphate and a tetrasaccharide derivative.
The molecule O1C(CC(=O)C2=C1C=C(O)C(=C2OC)C)C3=CC=CC=C3 O1C(CC(=O)C2=C1C=C(O)C(=C2OC)C)C3=CC=CC=C3 is Comptonin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3OC(C(=O)C3C=C2)=CC4=CC=C(O)C=C4)C)C O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3OC(C(=O)C3C=C2)=CC4=CC=C(O)C=C4)C)C is 6,4'-Dihydroxy-7-methylaurone 6-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as aurones  .
The molecule C[C@](CO)([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O is a nucleotide-alditol, an alditol 4-phosphate and a tetritol phosphate. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 4-CDP-2-C-methyl-D-erythritol 2-phosphate(4-).
The molecule CC1(C)c2cc(CC(=O)ON3C(=O)CCC3=O)ccc2N2CCC3OC4CC[N+]5=C(C4=CC3=C12)C(C)(C)c1cc(ccc51)S([O-])(=O)=O CC1(C)c2cc(CC(=O)ON3C(=O)CCC3=O)ccc2N2CCC3OC4CC[N+]5=C(C4=CC3=C12)C(C)(C)c1cc(ccc51)S([O-])(=O)=O is A fluorescent dye with a maximum emission wavelength of 572 nm, derived from a heteroheptacyclic ring system. It has the role of fluorochrome . It is also related to or classified as iminium betaine , cyanine dye , organic heteroheptacyclic compound .
The molecule O(CC(C)C)C(=O)C=1C(O)=CC=CC1 O(CC(C)C)C(=O)C=1C(O)=CC=CC1 is Isobutyl salicylate. Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule O(C1C(C=2[C@@]([C@@]3(C([C@]4([C@@]([C@](CC4)([C@@H]([C@H](O)[C@@H](O)[C@@H](O)C(O)(C)C)C)[H])(CC3)C)C)CC2)C)(CC1)[H])(C)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO O(C1C(C=2[C@@]([C@@]3(C([C@]4([C@@]([C@](CC4)([C@@H]([C@H](O)[C@@H](O)[C@@H](O)C(O)(C)C)C)[H])(CC3)C)C)CC2)C)(CC1)[H])(C)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO is Momorcharaside B.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule OC(CCCCCCCC(OC)=O)/C=C/C(O)C(=O)CCCCC OC(CCCCCCCC(OC)=O)/C=C/C(O)C(=O)CCCCC is methyl 9,12-dihydroxy-13-oxo-10-octadecenoate. It is also related to or classified as fatty acid methyl ester  .
The molecule C(CN)OP(=O)(O)OC[C@H](OC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCCCCCC C(CN)OP(=O)(O)OC[C@H](OC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCCCCCC is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as docosanoyl and tetradecanoyl respectively. It has the role of mouse metabolite . It has the role of rat metabolite . Its functional parent is tetradecanoic acid . Its functional parent is docosanoic acid . It is also related to or classified as phosphatidylethanolamine 36:0  . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .
The molecule [C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)C(C)C)=O)CCC(=O)O)C)CC(C)C)(NC([C@@H](NC(CNC([C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CO)CCC(O)=O)=O)=O)CC(=O)O)=O)CC1=CC=CC=C1 [C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)C(C)C)=O)CCC(=O)O)C)CC(C)C)(NC([C@@H](NC(CNC([C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CO)CCC(O)=O)=O)=O)CC(=O)O)=O)CC1=CC=CC=C1 is A fifteen-membered polypeptide consisting of Asp, Ser, Gly, Glu, Gly, Asp, Phe, Leu, Ala, Glu, Gly, Gly, Gly, Val and Arg residues joined in sequence. It is a conjugate acid of DSGEGDFLAEGGGVR(3-) . It is also related to or classified as polypeptide  .
The molecule O(C(CN(C)C)C)C(=O)C O(C(CN(C)C)C)C(=O)C is 2-Propanol, 1-(dimethylamino)-, acetate (ester). It is also related to or classified as carboxylic ester  .
The molecule CC(C)CCCCCCNS(=O)(=O)[O-] is an organic sulfamate oxoanion that is the conjugate base of (7-methyloctyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has a role as a kairomone and a Daphnia pulex metabolite. It is a conjugate base of a (7-methyloctyl)sulfamic acid.
The molecule OCC(O)[C-]1OC(=O)C(=O)C1=O OCC(O)[C-]1OC(=O)C(=O)C1=O is conjugate base of dehydroascorbic acid arising from removal of the acidic proton at the  C-2 position; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as organic anion .
The molecule [H]C(=O)C([H])=C([H])C([H])=C([H])C([H])=C([H])CC [H]C(=O)C([H])=C([H])C([H])=C([H])C([H])=C([H])CC is A polyunsaturated fatty aldehyde that is nonanal which has 3 double bonds at positions 2, 4 and 6. The configuration of the double bonds is unknown. It is also related to or classified as medium-chain fatty aldehyde  . It is also related to or classified as enal  . It is also related to or classified as polyunsaturated fatty aldehyde .
The molecule C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(C)O)O)[NH3+])O is an organic cation that is the conjugate acid of 13-dihydrodaunorubicin, obtained by protonation of the primary amino function. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a 13-dihydrodaunorubicin.
The molecule C(CN)OP(=O)(O)OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCCCC C(CN)OP(=O)(O)OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCCCC is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as icosanoyl (arachidoyl) and hexadecanoyl (palmitoyl) respectively. It has the role of mouse metabolite . It has the role of rat metabolite . Its functional parent is hexadecanoic acid . Its functional parent is icosanoic acid . It is also related to or classified as phosphatidylethanolamine 36:0  . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .
The molecule CCCCCCCCCCCC[N+](C)(C)C CCCCCCCCCCCC[N+](C)(C)C is A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen. It is also related to or classified as quaternary ammonium ion  .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC(OC)=C(O)C=C4)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC(OC)=C(O)C=C4)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C is Rhamnazin 3-rutinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule FC(F)(F)N1C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F FC(F)(F)N1C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F is perfluoro-N-methyldecahydroisoquinoline. It has the role of blood substitute . It is also related to or classified as organofluorine compound  .
The molecule O(C1=CC(=CC(OC)=C1O)/C=C/C)C O(C1=CC(=CC(OC)=C1O)/C=C/C)C is 2,6-Dimethoxy-4-(1-propenyl)phenol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CCCCCCCCCCCCCC[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)O is a long-chain fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (R)-2-hydroxyhexadecanoyl-CoA; major species at pH 7.3. It is a conjugate base of a (R)-2-hydroxyhexadecanoyl-CoA.
The molecule C12=CC=C(C=C1CC[C@@]3([C@@]2(CC[C@]4([C@]3(C[C@H]([C@H]4O)O)[H])C)[H])[H])O C12=CC=C(C=C1CC[C@@]3([C@@]2(CC[C@]4([C@]3(C[C@H]([C@H]4O)O)[H])C)[H])[H])O is A 16alpha-hydroxy steroid that is estriol in which the hydroxy group at position 17 has been epimersied from beta- to alpha- configuration. It is a metabolite of estradiol and a selective estrogen receptor beta (ER-beta) agonist. It has the role of estrogen . It has the role of estrogen receptor agonist . It has the role of human urinary metabolite . It is also related to or classified as 16alpha-hydroxy steroid  . It is also related to or classified as 17alpha-hydroxy steroid , 3-hydroxy steroid .
The molecule C[C@@H](C/C=C/C(=C)C)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C is a tirucallane triterpenoid that is (13alpha,14beta,17alpha,20S,23E)-lanosta-7,23,25-triene substituted by an oxo group at position 3. It has been isolated from the stem and stem barks of Cornus walteri. It has a role as a plant metabolite. It is a tirucallane triterpenoid and a cyclic terpene ketone.
The molecule [C@@H]1([C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)NC(=O)C)O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO)O[C@@H]4[C@@H]([C@H]([C@H](O[C@@H]4CO)OCCCCCN)O)O)NC(=O)C [C@@H]1([C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)NC(=O)C)O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO)O[C@@H]4[C@@H]([C@H]([C@H](O[C@@H]4CO)OCCCCCN)O)O)NC(=O)C is A linear tetrasaccharide derivative consisting of N-acetyl-alpha-D-mannosaminyl, N-acetyl-alpha-L-fucosaminyl, N-acetyl-alpha-D-galactosaminyl and  alpha-D-galactosyl residues linked sequentially (1->3), (1->3) and (1->4), and at the reducing end linked glycosidically to a 5-aminopentyl group. It is also related to or classified as glycoside  . It is also related to or classified as tetrasaccharide derivative .
The molecule C1=COC=C1 is a monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31℃) colourless liquid. It has a role as a carcinogenic agent, a hepatotoxic agent and a Maillard reaction product. It is a mancude organic heteromonocyclic parent, a member of furans and a monocyclic heteroarene.
The molecule O=C1C2=C(O)C3=C(C[C@](O)(C)CC3)C=C2C(=O)C=4C1=C(O[C@@H]5O[C@@H]([C@@H](O)[C@@]([C@@H]5OC)(O)C)C)C=CC4 O=C1C2=C(O)C3=C(C[C@](O)(C)CC3)C=C2C(=O)C=4C1=C(O[C@@H]5O[C@@H]([C@@H](O)[C@@]([C@@H]5OC)(O)C)C)C=CC4 is (9S,1'S,2'S,3'S,4'R,5'R)-andicoquinone D. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Fe+2] is a hydrate that is the heptahydrate form of iron(2+) sulfate. It is used as a source of iron in the treatment of iron-deficiency anaemia (generally in liquid-dosage treatments; for solid-dosage treatments, the monohydrate is normally used). It has a role as a nutraceutical, an anti-anaemic agent and a reducing agent. It is a hydrate and an iron molecular entity. It contains an iron(2+) sulfate (anhydrous).
The molecule [Br] [Br] is bromine atom. It has the role of micronutrient . It is also related to or classified as halogen  .
The molecule CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl is a phthalazine compound having an oxo substituent at the 1-position, a 1-methylazepan-4-yl group at the 2-position and a 4-chlorobenzyl substituent at the 4-position. It has a role as a H1-receptor antagonist, an anti-allergic agent, an anti-asthmatic drug, a bronchodilator agent, a platelet aggregation inhibitor and an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor. It is a member of phthalazines, a tertiary amino compound and a member of monochlorobenzenes.
The molecule CN[C@@H](CC1=CC=CC=C1)C(=O)O is a phenylalanine derivative consisting of L-phenylalanine having a methyl substuent attached to the alpha-amino function. It is a L-phenylalanine derivative and a N-methyl-L-alpha-amino acid. It is a tautomer of a N-methyl-L-phenylalanine zwitterion.
The molecule OC(CCCCC)/C=C/C(O)C(=O)CCCCCCCC(OC)=O OC(CCCCC)/C=C/C(O)C(=O)CCCCCCCC(OC)=O is methyl 10,13-dihydroxy-9-oxo-11-octadecenoate. It is also related to or classified as fatty acid methyl ester  .
The molecule c1ccc(cc1)-n1cccn1 c1ccc(cc1)-n1cccn1 is A member of the class of pyrazoles that is 1H-pyrazole substituted by a phenyl group at position 1. It is also related to or classified as benzenes , pyrazoles .
The molecule O=C(NCC1=CC(OC)=C(O)C=C1)CCCCCCC O=C(NCC1=CC(OC)=C(O)C=C1)CCCCCCC is N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CC1(C=CC2=C3C(=CC(=C2O1)OC)N=C4C(=C3OC)C=CO4)C is an organic heterotetracyclic compound that is 3H-furo[2,3-b]pyrano[3,2-f]quinoline carrying a gem-dimethyl group at position 3 as well as two methoxy substituents at positions 5 and 11. It has a role as a plant metabolite. It is a quinoline alkaloid, an organic heterotetracyclic compound and an aromatic ether.
The molecule NC(C(O)=O)C(O)=O NC(C(O)=O)C(O)=O is an amino dicarboxylic acid that is  malonic acid in which one of the methylene hydrogens has been replaced by an amino group. It has the role of human metabolite . It has the role of Daphnia magna metabolite . Its functional parent is malonic acid . It is a conjugate acid of aminomalonate(1-) . It is also related to or classified as amino dicarboxylic acid .
The molecule C[C@H]1CCC2=C1C=NC=C2C is a member of the class of cyclopentapyridines that is 6,7-dihydrocyclopenta[c]pyridine bearing two methyl substituents at positions 4 and 7. It has a role as a plant metabolite and a pheromone. It is a cyclopentapyridine and a pyridine alkaloid.
The molecule CC(N)c1ccccc1 CC(N)c1ccccc1 is A phenylethylamine that is ethylamine substituted by a phenyl group at position 1. It has the role of human metabolite . It is also related to or classified as phenylethylamine  .
The molecule C=1(C=CC(OC1)=O)[C@@H]2[C@]3(C([C@H]([C@@]4([C@]5(C[C@@H]([C@@H](C[C@]5(CC[C@]4([C@]3(CC2)O)[H])O)OC(=O)C)OC(=O)C)C)[H])O)=O)C C=1(C=CC(OC1)=O)[C@@H]2[C@]3(C([C@H]([C@@]4([C@]5(C[C@@H]([C@@H](C[C@]5(CC[C@]4([C@]3(CC2)O)[H])O)OC(=O)C)OC(=O)C)C)[H])O)=O)C is A defensive steroid lactone that is produced by males of the species Photinus pyralis.  It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as 11alpha-hydroxy steroid , steroid lactone , 14beta-hydroxy steroid , 5beta-hydroxy steroid , steroid ester , 12-oxo steroid , 2-pyranones .
The molecule CN\\1C2=CC=CC=C2S/C1=C/C=C/C3=CC=[N+](C=C3)CCC[N+](C)(C)CCC[N+](C)(C)CCC[N+]4=CC=C(C=C4)/C=C/C=C\\5/N(C6=CC=CC=C6S5)C is the cationic form of BoBo-3, a symmetrical cyanine dye. It has a role as a fluorochrome. It is a cyanine dye and an organic cation.
The molecule CC(C)(C)[C@@H](O)[C@@H](Oc1ccc(cc1)-c1ccccc1)n1cncn1 CC(C)(C)[C@@H](O)[C@@H](Oc1ccc(cc1)-c1ccccc1)n1cncn1 is A 1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol that is the (1R,2R)-diastereomer of bitertanol. It is also related to or classified as 1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol  .
The molecule OCC[C@H](C)/C=C/C=C/C(O)=O OCC[C@H](C)/C=C/C=C/C(O)=O is Dendryphiellic acid B. It is also related to or classified as medium-chain fatty acid  .
The molecule O1CC(CC=2C1=CC(O)=C(C(C)(C)C=C)C2)C3=C(OC)C=C(O)C=C3 O1CC(CC=2C1=CC(O)=C(C(C)(C)C=C)C2)C3=C(OC)C=C(O)C=C3 is Millinol B. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O(C(C)C(O)=O)C1=CC=C(OC)C=C1 O(C(C)C(O)=O)C1=CC=C(OC)C=C1 is (S)-2-(4-Methoxyphenoxy)propanoic acid. It is also related to or classified as carboxylic acid  . It is also related to or classified as aromatic ether .
The molecule C1=CC(=CC=C1[C@H]([C@@H](C(=O)O)N)N2C=NC=C2C[C@@H](C(=O)O)N)O is an L-tyrosine in which one of the beta-hydrogens in L-tyrosine is replaced by a L-histidino group joined via the N(pros)-position. It is a L-tyrosine derivative and a non-proteinogenic L-alpha-amino acid.