anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(=O)(C(=O)[O-])[O-].[Na+].[Na+] is an organic sodium salt consisting of sodium and oxalate ions in a 2:1 ratio. It has a role as a poison and a reducing agent. It is an oxalate salt and an organic sodium salt. It contains an oxalate(2-).
The molecule COc1c(oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 COc1c(oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 is A glycosyloxyflavone that is 3-O-methylquercetin attached to beta-D-glucopyranosyl residues at positions 7 and 4' respectively via glycosidic linkages. It has been isolated from Ophioglossum pedunculosum. It has the role of plant metabolite . Its functional parent is 3',4',5,7-tetrahydroxy-3-methoxyflavone . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monomethoxyflavone  .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as dihydroxyflavone .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4 is N-[(3S,9S,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(C[NH3+])OP(=O)([O-])OC[C@H](OC(CCCC(O)[H])=O)COC(=O)CCCCCCCCCCCCCCC C(C[NH3+])OP(=O)([O-])OC[C@H](OC(CCCC(O)[H])=O)COC(=O)CCCCCCCCCCCCCCC is 1-palmitoyl-2-(5-hydroxyvaleroyl)-sn-glycero-3-phosphoethanolamine. Its functional parent is 5-hydroxypentanoate . It is also related to or classified as 1-palmitoyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as organic molecular entity .
The molecule [C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)[O-])O)O is a carbohydrate acid anion that is the conjugate base of D-glucaro-1,5-lactone, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a D-glucaro-1,5-lactone.
The molecule COc1c(oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)c(O)c1 COc1c(oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)c(O)c1 is A quercetin O-glucoside that is 3-O-methylquercetin attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum and Lepisorus contortus. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monosaccharide derivative , quercetin O-glucoside .
The molecule C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)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)CO)CO)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O is alpha-Neup5Gc-(2->3)-beta-D-Galp-(1->4)-D-Glcp in which the anomeric configuration of the reducing-end glucose is beta. It has a role as an epitope.
The molecule O=C1O[C@H](CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4CCC3C2)OC)=O)C O=C1O[C@H](CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4CCC3C2)OC)=O)C is Hexaricin C. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc2-c4ccc(O)c(O)c4COc2c3=O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc2-c4ccc(O)c(O)c4COc2c3=O)[C@H](O)[C@@H](O)[C@@H]1O is A homoflavonoid glycoside that is ophioglonin  attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum. It has the role of metabolite . It has the role of plant metabolite . Its functional parent is ophioglonin . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monosaccharide derivative , homoflavonoid glycoside , hydroxy homoflavonoid .
The molecule C(C[NH3+])OP(=O)([O-])OC[C@H](OC(CCCC(=O)[H])=O)COC(=O)CCCCCCCCCCCCCCC C(C[NH3+])OP(=O)([O-])OC[C@H](OC(CCCC(=O)[H])=O)COC(=O)CCCCCCCCCCCCCCC is 1-palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphoethanolamine. Its functional parent is 5-oxopentanoate . It is also related to or classified as 1-palmitoyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as organic molecular entity .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]1O)[C@@H](O)CO CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]1O)[C@@H](O)CO is A trisaccharide cmoposed of two L-glycero-alpha-D-manno-heptopyranose residues and one N-acetyl-D-glucosamine residue, linked as shown; a part of the meningococcal inner core oligosacccharide with independent antigenic properties. It has the role of antigen . It is also related to or classified as amino trisaccharide .
The molecule Clc1ccc-2c(c1)C(=NCc1nncn-21)c1ccccc1 Clc1ccc-2c(c1)C(=NCc1nncn-21)c1ccccc1 is A triazolo[4,3-a][1,4]benzodiazepine having a phenyl group at position 6 and a chloro substituent at position 8. A short-acting benzodiazepine with general properties similar to diazepam, it is given by mouth as a hypnotic in the short-term management of insomnia. It has the role of anxiolytic drug . It has the role of anticonvulsant . It has the role of GABA modulator . It is also related to or classified as triazolobenzodiazepine , triazoles .
The molecule OC[C@H]1O[C@@H](Oc2ccc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2CO)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2ccc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2CO)[C@H](O)[C@@H](O)[C@@H]1O is A homoflavonoid glycoside that is ophioglonol attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum. It has the role of metabolite . It has the role of plant metabolite . Its functional parent is ophioglonol . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monosaccharide derivative , homoflavonoid glycoside , hydroxy homoflavonoid .
The molecule OC(=O)C1=CNC(=O)CC1 OC(=O)C1=CNC(=O)CC1 is 1,4,5,6-tetrahydro-6-oxonicotinic acid. Its functional parent is nicotinic acid . It is a conjugate acid of 1,4,5,6-tetrahydro-6-oxonicotinate . It is also related to or classified as 4-oxo monocarboxylic acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule [H]C(N)=O [H]C(N)=O is the simplest monocarboxylic acid amide, obtained by formal condensation of formic acid with ammonia. The parent of the class of formaldehydes. It has the role of solvent . Its functional parent is formic acid .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as formamides , one-carbon compound .
The molecule COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC)[C@@H]1O COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC)[C@@H]1O is A monosaccharide derivative that is beta-D-glucose in which the hydroxy groups at C-3 and C-6 are methylated. Its functional parent is beta-D-glucose . It is also related to or classified as monosaccharide derivative .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)O)CO)O)CO)O)O is an amino disaccharide that is alpha-D-glactopyranose in which the hydroxy group at position 3 has been converted into the corresponding 2-acetamido-alpha-D-galactopyranoside. It is a member of acetamides, an amino disaccharide and a galactosamine oligosaccharide. It derives from an alpha-D-galactose and a N-acetyl-alpha-D-galactosamine.
The molecule OCc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(O)c1 OCc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(O)c1 is A  hydroxy homoflavonoid that is 2-phenyl-4H-chromen-4-one substituted by hydroxy groups at positions 5, 7, 3' and 4' and a hydroxymethyl group at position 3. It is isolated from the whole plant of Ophioglossum pedunculosum. It has the role of plant metabolite . It is also related to or classified as hydroxy homoflavonoid .
The molecule C=1C=CC(COC(N[C@H](C(NC(C(=O)CF)CCC(N(C)C)=O)=O)CC(C)C)=O)=CC1 C=1C=CC(COC(N[C@H](C(NC(C(=O)CF)CCC(N(C)C)=O)=O)CC(C)C)=O)=CC1 is Benzyl N-[(2S)-1-[[6-(dimethylamino)-1-fluoro-2,6-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate. It has the role of anticoronaviral agent . It is also related to or classified as peptide  .
The molecule OCCCCCCCCC(O)=O OCCCCCCCCC(O)=O is an omega-hydroxy fatty acid that is nonanoic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group. Its functional parent is nonanoic acid . It is also related to or classified as omega-hydroxy-medium-chain fatty acid  . It is also related to or classified as straight-chain fatty acid .
The molecule CSCCCCCCCC/C=N/O is an 8-(methylsulfanyl)nonanal oxime in which the oxime moiety has E configuration. It is a 9-(methylsulfanyl)nonanal oxime and an omega-(methylsulfanyl)-(E)-alkanal oxime.
The molecule COC(CNC(N)=O)C[Hg]Cl COC(CNC(N)=O)C[Hg]Cl is urea in which one of the hydrogens is substituted by a 3-chloromercury-2-methoxyprop-1-yl group. It was formerly used as a diuretic, but more potent and less toxic drugs are now available. Its radiolabelled ((197)Hg, (203)Hg) forms were used in diagnostic aids in renal imaging and brain scans. It has the role of diagnostic agent . It has the role of diuretic . It is also related to or classified as organomercury compound , ureas .
The molecule C[C@@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(c2)oc(-c2ccc(OC(C)=O)c(OC(C)=O)c2)c(O[C@@H]2O[C@H](CC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c3=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O C[C@@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(c2)oc(-c2ccc(OC(C)=O)c(OC(C)=O)c2)c(O[C@@H]2O[C@H](CC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c3=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O is A quercetin O-glucoside that is the decaacetate ester derivative of  petiolaroside. Isolated from the aerial parts of Delphinium staphisagria, it exhibits trypanocidal activity. It has the role of metabolite . It has the role of trypanocidal drug . It has the role of plant metabolite . Its functional parent is alpha-L-rhamnopyranose . Its functional parent is petiolaroside . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as acetate ester  . It is also related to or classified as quercetin O-glucoside .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC is 1-[(3R,9R,10R)-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]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O([C@H](COC(=O)CCCCCCCCCCCCCCC)COP(OCC[N+](C)(C)C)(=O)[O-])C(=O)CCCCCCCCO O([C@H](COC(=O)CCCCCCCCCCCCCCC)COP(OCC[N+](C)(C)C)(=O)[O-])C(=O)CCCCCCCCO is A 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine in which the 2-acyl group is specified as 9-hydroxynonanoyl. Its functional parent is 9-hydroxynonanoic acid . It is also related to or classified as 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine  .
The molecule C1C[C@H](N(C1)C(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])C(=O)N2C[C@@H](C[C@H]2C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-])O is a peptide cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of [Hyp(3)]-bradykinin; major species at pH 7.3. It has a role as a bradykinin receptor agonist and a human urinary metabolite. It is a conjugate acid of a [Hyp(3)]-bradykinin.
The molecule C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)c(O)c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)c3=O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)c(O)c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)c3=O)[C@H](O)[C@H](O)[C@H]1O is A quercetin O-glucoside that is the 2''-acetyl derivative of petiolaroside. Isolated from the aerial parts of   Delphinium staphisagria, it exhibits trypanocidal activity. It has the role of metabolite . It has the role of trypanocidal drug . It has the role of plant metabolite . Its functional parent is alpha-L-rhamnopyranose . Its functional parent is petiolaroside . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as acetate ester  . It is also related to or classified as trihydroxyflavone , quercetin O-glucoside .
The molecule OCCCCCCC(O)=O OCCCCCCC(O)=O is an omega-hydroxy fatty acid comprising heptanoic acid which is substituted by a hydroxy group at position 7. Its functional parent is heptanoic acid . It is also related to or classified as omega-hydroxy-medium-chain fatty acid  . It is also related to or classified as straight-chain fatty acid .
The molecule C[C@@H](C(=O)CCC(C)C)[C@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)OC(=O)C8=CC(=C(C(=C8)OC)OC)OC)OC(=O)C)O is a steroid saponin that is 3,16,17-trihydroxycholest-5-en-22-one attached to a beta-D-glucopyranosyl residue at position 3 and a 2-O-acetyl-3-O-[2-O-(3,4,5-trimethoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranosyl residue at position 16 via a glycosidic linkage. Isolated from Ornithogalum thyrsoides, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a beta-D-glucoside, a steroid saponin, a cholestanoid, a benzoate ester, an acetate ester and a 17-hydroxy steroid. It derives from a 3,4,5-trimethoxybenzoic acid.
The molecule O=C1O[C@@H](CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4[C@H](O)CC3C2)OC)=O)C O=C1O[C@@H](CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4[C@H](O)CC3C2)OC)=O)C is Hexaricin A. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule [O-]C(=O)c1ccc2ccccc2c1 [O-]C(=O)c1ccc2ccccc2c1 is A naphthoate that is the conjugate base of 2-naphthoic acid. It has the role of xenobiotic metabolite . It is also related to or classified as naphthoate  .
The molecule CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(c2)oc(-c2ccc(OC(C)=O)cc2)c(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(c2)oc(-c2ccc(OC(C)=O)cc2)c(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O is A kaempferol O-glucoside that is the decaacetate ester derivative of paeonoside. Isolated from the aerial parts of Delphinium staphisagria, it exhibits trypanocidal activity. It has the role of metabolite . It has the role of trypanocidal drug . It has the role of plant metabolite . Its functional parent is kaempferol 3,7-di-O-beta-D-glucoside . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as acetate ester  . It is also related to or classified as kaempferol O-glucoside .
The molecule N1([C@@H](CCC1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(N2[C@@H](CCC2)C(=O)[O-])=O)C(C)C)C([C@H](CC3=CC=C(C=C3)O)[NH3+])=O N1([C@@H](CCC1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(N2[C@@H](CCC2)C(=O)[O-])=O)C(C)C)C([C@H](CC3=CC=C(C=C3)O)[NH3+])=O is A peptide anion obtained from the deprotonation of the two carboxy groups, and protonation of the primary amino group of beta-casochemotide-1. It is the major species at pH 7.3. It is also related to or classified as peptide anion .
The molecule O([C@H](COC(=O)CCCCCCCCCCCCCCC)COP(OCC[N+](C)(C)C)(=O)[O-])C(=O)CCCCCCO O([C@H](COC(=O)CCCCCCCCCCCCCCC)COP(OCC[N+](C)(C)C)(=O)[O-])C(=O)CCCCCCO is A 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine in which the 2-acyl group is specified as 7-hydroxyheptanoyl. Its functional parent is 7-hydroxyheptanoic acid . It is also related to or classified as 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine  .
The molecule C1=CSC(=C1)CC(=O)O is a thiophene compound having a carboxymethyl group at the 2-position. It has a role as an allergen. It is a member of thiophenes and a monocarboxylic acid. It derives from an acetic acid. It is a conjugate acid of a thien-2-ylacetate.
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCC is A 3-sn-phosphatidyl L-serine in which the phosphatidyl acyl groups at both positions 1 and 2 are specified as hexadecanoyl (palmitoyl). It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . It is a conjugate acid of 1,2-dihexadecanoyl-sn-glycero-3-phospho-L-serine(1-) . It is also related to or classified as 3-sn-phosphatidyl-L-serine  .
The molecule OC[C@H](O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O OC[C@H](O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O is A branched trisaccharide consisting of one D-glucose and two L-glycero-alpha-D-manno-heptopyranose residues (one at the reducing end), linked as shown. It is also related to or classified as trisaccharide .
The molecule CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c(oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)cc1 CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c(oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)cc1 is A kaempferol O-glucoside that is the 2''-acetyl derivative of kaempferol-3-O-beta-D-glucopyranosyl-7-O-beta-D-glucopyranoside (paeonoside). Isolated from Delphinium staphisagria, it exhibits trypanocidal activity. It has the role of metabolite . It has the role of trypanocidal drug . It has the role of plant metabolite . Its functional parent is kaempferol 3,7-di-O-beta-D-glucoside . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as acetate ester  . It is also related to or classified as dihydroxyflavone , kaempferol O-glucoside .
The molecule OCCCCC(O)=O OCCCCC(O)=O is an omega-hydroxy fatty acid consisting of pentanoic acid carrying a hydroxy group at C-5. Its functional parent is valeric acid . It is a conjugate acid of 5-hydroxypentanoate . It is also related to or classified as omega-hydroxy-short-chain fatty acid , 5-hydroxy monocarboxylic acid , straight-chain fatty acid .
The molecule C([C@@H]1[C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)C(=O)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O)O)O)O)O is a heparan sulfate octasaccharide with sequence: GlcA-GlcNSO3-IdoA(2-OSO3)-GlcNSO3(6-OSO3)-IdoA(2-OSO3)-GlcNSO3-GlcA-aManR (aManR = 2,5-anhydro-D-mannitol). It is a heparan sulfate octasaccharide, an amino octasaccharide and an oligosaccharide sulfate.
The molecule NC(=N)NCCCCNC(N)=N NC(=N)NCCCCNC(N)=N is A guanidine derivative consisting of butane having guanidino groups at the 1- and 4-positions. It is also related to or classified as guanidines .
The molecule OC(CS)C(O)CS OC(CS)C(O)CS is the threo-diastereomer of 1,4-dimercaptobutane-2,3-diol. It has the role of chelator . It has the role of reducing agent . It has the role of human metabolite .  It is also related to or classified as 1,4-dimercaptobutane-2,3-diol  . It is also related to or classified as dithiol .
The molecule CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)-c2ccc(OC(C)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)-c2ccc(OC(C)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O is A kaempferol O-glucoside that is the hepta acetate ester derivative of astragalin. Isolated from the aerial parts of Delphinium staphisagria, it exhibits trypanocidal activity. It has the role of metabolite . It has the role of trypanocidal drug . It has the role of plant metabolite . Its functional parent is kaempferol 3-O-beta-D-glucoside . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as acetate ester  . It is also related to or classified as monosaccharide derivative , kaempferol O-glucoside .
The molecule C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(CCCCO)=O)COC(=O)CCCCCCCCCCCCCCC C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(CCCCO)=O)COC(=O)CCCCCCCCCCCCCCC is A 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine in which the 2-acyl group is specified as 5-hydroxypentanoyl. Its functional parent is 5-hydroxypentanoic acid . It is also related to or classified as 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine  .
The molecule CC(=CCCC(=C)[C@H]1CC[C@@]2(CCCC(=C)[C@H]2C1)C)C is a diterpenoid that is decahydronaphthalene substituted by a methyl group at position 4a, a methylidiene group at position 1 and a 6-methylhepta-1,5-dien-2-yl group at position 7 (the 4aS,7S,8aR-stereoisomer). It has been isolated from the Hainan soft coral Lobophytum cristatum. It has a role as a coral metabolite. It is a diterpenoid and a carbobicyclic compound.
The molecule OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4OC5OC(CO)C(O)C(O)C5O)C(O)C1O OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4OC5OC(CO)C(O)C(O)C5O)C(O)C1O is A linear mannopentaose consisting of five D-mannose residues joined sequentially via two beta(1->2) and two alpha(1->2) linkages with alpha anomeric configuration at the reducing end. It is also related to or classified as mannopentaose .
The molecule CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1 CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1 is A  kaempferol O-glucoside that is the 2''-acetyl derivative of astragalin (kaempferol 3-O-glucoside). Isolated from the aerial parts of Delphinium staphisagria, it exhibits trypanocidal activity. It has the role of trypanocidal drug . It has the role of plant metabolite . Its functional parent is kaempferol 3-O-beta-D-glucoside . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as acetate ester  . It is also related to or classified as trihydroxyflavone , monosaccharide derivative , kaempferol O-glucoside .
The molecule OC(=O)c1cc(O)c2ccccc2c1O OC(=O)c1cc(O)c2ccccc2c1O is A naphthoic acid that is 2-naphthoic acid substituted by hydroxy groups at positions 1 and 4. It has the role of Escherichia coli metabolite . Its functional parent is 2-naphthoic acid . It is a conjugate acid of 1,4-dihydroxy-2-naphthoate .    It is also related to or classified as naphthohydroquinone  . It is also related to or classified as naphthalenediols , naphthoic acid , dihydroxy monocarboxylic acid .
The molecule C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O)O)O is a disaccharide phosphate corresponding to part of the oligosaccharide repeating unit of Leishmania major promastigote lipophosphoglycan. It has a role as an epitope. It is a disaccharide phosphate and a glycosylmannose derivative.
The molecule CC(C)=CCC1(CC=C(C)C)C[C@@H](O)C=CC1=O CC(C)=CCC1(CC=C(C)C)C[C@@H](O)C=CC1=O is comosone A. It has the role of metabolite . It is also related to or classified as enol ether  . It is also related to or classified as enone  .
The molecule N1(C(C(=O)C=2C1=CC=C(I)C2)=O)CC=3C(=CC(=CC3)F)Cl N1(C(C(=O)C=2C1=CC=C(I)C2)=O)CC=3C(=CC(=CC3)F)Cl is 1-(2-Chloro-4-fluoro-benzyl)-5-iodo-1H-indole-2,3-dione. It has the role of anticoronaviral agent . It is also related to or classified as indoles .