anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)COP(=O)(OCCCCCN)O)O[C@H](CO)C(O)=O)NC(=O)C [C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)COP(=O)(OCCCCCN)O)O[C@H](CO)C(O)=O)NC(=O)C is A synthetic disaccharide phosphate consisting of an alpha-D-GlcNAc-(1->3)-alpha-D-GlcNAc disaccharide linked glycosidically to O-2 of D-glyceric acid and connected to a 5-aminopentyl linker via a phospho group at O-6 of the reducing-end residue. Synthesized for immobilization on microarray surfaces and conjugation to carrier proteins as a potential vaccine candidate to protect from Clostridium difficile infections. Its functional parent is D-glyceric acid . It is also related to or classified as disaccharide phosphate .
The molecule C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N.OS(=O)(=O)O.OS(=O)(=O)O is an aminoglycoside sulfate salt obtained by combining amikacin with two molar equivalents of sulfuric acid. It has a role as an antibacterial drug, an antimicrobial agent and a nephrotoxin. It contains an amikacin(4+).
The molecule OC1CCC(CC(=O)C(O)=O)C=C1 OC1CCC(CC(=O)C(O)=O)C=C1 is A 2-oxo monocarboxylic acid that is pyruvic acid substituted at position 3 by a 4-hydroxycyclohex-2-en-1-yl group. Its functional parent is pyruvic acid . It is a conjugate acid of tetrahydro-4-hydroxyphenylpyruvate . It is also related to or classified as secondary alcohol  . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule O1C2=C(C(OC)=C3OCOC3=C2OC)C(=O)C(OC)=C1C4=CC=5OCOC5C(OC)=C4 O1C2=C(C(OC)=C3OCOC3=C2OC)C(=O)C(OC)=C1C4=CC=5OCOC5C(OC)=C4 is 3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O(C1C(O)[C@H](O)[C@@H](O[C@]1(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(O)C=C4)[H])COC(=O)C)[C@@H]5O[C@H]([C@H](O)C(O)C5O)C O(C1C(O)[C@H](O)[C@@H](O[C@]1(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(O)C=C4)[H])COC(=O)C)[C@@H]5O[C@H]([C@H](O)C(O)C5O)C is Vitexin 2''-O-rhamnoside 6''-acetate. It is also related to or classified as C-glycosyl compound , flavonoids .
The molecule [N+]1([C@H](C2=C(CC1)C=C(C(=C2)O)OC)CC3=CC=C(C(=C3)O)OC)(C)C [N+]1([C@H](C2=C(CC1)C=C(C(=C2)O)OC)CC3=CC=C(C(=C3)O)OC)(C)C is A tembetarine obtained by methylation of the tertiary amino function of (R)-reticuline. It has the role of plant metabolite . Its functional parent is (S)-reticuline . It is also related to or classified as tembetarine  . It is also related to or classified as benzylisoquinoline alkaloid .
The molecule C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)[NH+](C)C)O is a nucleotide-sugar oxoanion that is the conjugate base of dTDP-D-ravidosamine arising from deprotonation of the diphosphate OH groups and protonation of the tertiary amino group; major microspecies at pH 7.3. It is a conjugate base of a dTDP-D-ravidosamine.
The molecule C[C@H](CCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=C1C=CC=C2 C[C@H](CCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=C1C=CC=C2 is A monocarboxylic acid anion that is the conjugate base of icas#12 resulting from the deprotonation of the carboxy group; Major species at pH 7.3. Its functional parent is ascr#12(1-) . It is also related to or classified as monocarboxylic acid anion  .
The molecule CC(=O)OCCC(C(=O)[O-])[NH3+] is an alpha-amino acid zwitterion that is O-acetylhomoserine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. It is a tautomer of an O-acetylhomoserine.
The molecule [H]C(C(=O)C(O)=O)=C1CCC(O)C=C1 [H]C(C(=O)C(O)=O)=C1CCC(O)C=C1 is A 2-oxo monocarboxylic acid that is pyruvic acid substituted at position 3 by a 4-hydroxycyclohex-2-en-1-ylidene group. Its functional parent is pyruvic acid . It is a conjugate acid of 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvate . It is also related to or classified as secondary alcohol  . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule O=C1C2=C(O)C3=C(C[C@](O)(C)C[C@@H]3O)C=C2C(=O)C=4C1=C(O)C=CC4 O=C1C2=C(O)C3=C(C[C@](O)(C)C[C@@H]3O)C=C2C(=O)C=4C1=C(O)C=CC4 is (7S,9R)-andicoquinone A. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule OC(=O)C(CCCC)=C OC(=O)C(CCCC)=C is 2-butyl acrylic acid. It is also related to or classified as medium-chain fatty acid  .
The molecule [N+]1([C@@H](C2=C(CC1)C=C(C(=C2)O)OC)CC3=CC=C(C(=C3)O)OC)(C)C [N+]1([C@@H](C2=C(CC1)C=C(C(=C2)O)OC)CC3=CC=C(C(=C3)O)OC)(C)C is A tembetarine obtained by methylation of the tertiary amino function of (R)-reticuline. Its functional parent is (R)-reticuline . It is also related to or classified as tembetarine  .
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(=[NH2+])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]([NH3+])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(=[NH2+])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]([NH3+])CC([O-])=O)CO)CCC([O-])=O)=O)=O)CC(=O)[O-])=O)CC1=CC=CC=C1 is A peptide anion obtained by removal of three protons from the fifteen-membered polypeptide Asp-Ser-Gly-Glu-Gly-Asp-Phe-Leu-Ala-Glu-Gly-Gly-Gly-Val-Arg. It is the major microspecies at pH 7.3. It is also related to or classified as peptide anion .
The molecule S1C(NC(SC1CC(C)C)CC(C)C)CC(C)C S1C(NC(SC1CC(C)C)CC(C)C)CC(C)C is Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine. It is also related to or classified as organic heteromonocyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CS(=O)CCC/C(=N/OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O is an alkylglucosinolic acid in which the alkyl substituent can be any omega-(methylsulfanyl)alkyl group. It is an alkylglucosinolic acid and a sulfoxide. It is a conjugate acid of an omega-[(methylsulfinyl)alkyl]glucosinolate.
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C(O)=C3C(OC(=C(OC)C3=O)C4=C(O)C(O)=C(O)C=C4)=C2)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C(O)=C3C(OC(=C(OC)C3=O)C4=C(O)C(O)=C(O)C=C4)=C2)CO is 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O(CCC1=CC=CC=C1)C(=O)C=2OC=CC2 O(CCC1=CC=CC=C1)C(=O)C=2OC=CC2 is 2-Phenylethyl 2-furancarboxylate. Its functional parent is 2-furoic acid . It is also related to or classified as carboxylic ester  .
The molecule NC(=N)NCC[C@@H](O)[C@H](N1CCC1=O)C(O)=O NC(=N)NCC[C@@H](O)[C@H](N1CCC1=O)C(O)=O is amidinoproclavaminic acid. Its functional parent is proclavaminic acid .   It is also related to or classified as beta-lactam  . It is also related to or classified as secondary alcohol  . It is also related to or classified as guanidines , monocarboxylic acid , L-arginine derivative .
The molecule C(CO[C@@H]1[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[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O)N is an alpha-D-glucoside that is the 2-aminoethyl glycoside of a trisaccharide consisting of beta-D-glucosyl, alpha-D-glucosyl and alpha-D-galactosyl residues linked sequentially (1->4). It is a trisaccharide derivative and an alpha-D-galactoside.
The molecule N1C=NC2=C(N=CN2[C@@H]3O[C@@H]4COP(O[C@H]4[C@H]3O)(=O)[O-])C1=O N1C=NC2=C(N=CN2[C@@H]3O[C@@H]4COP(O[C@H]4[C@H]3O)(=O)[O-])C1=O is an organophosphate oxoanion that is the conjugate base of 3',5'-cyclic IMP arising from deprotonation of the free phosphate OH group; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@H]2[C@H](OC([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)CO)O)O)O is a trisaccharide that is D-galactopyranose in which the hydroxy groups at positons 3 and 4 have been converted into the corresponding beta-D-glucopyranosyl and beta-L-fucopyranosyl derivatives, respectively.
The molecule C(C/C=C/C=C/C=C(/[C@H]1[C@@H]([C@H]([C@H](CO1)C)OC)O)\C)C C(C/C=C/C=C/C=C(/[C@H]1[C@@H]([C@H]([C@H](CO1)C)OC)O)\C)C is restrictinol. Its functional parent is desmethylrestrictinol . It is also related to or classified as oxanes .
The molecule O=C(NCC1=CC(OC)=C(O)C=C1)CCCCCC(C)C O=C(NCC1=CC(OC)=C(O)C=C1)CCCCCC(C)C is Nordihydrocapsaicin. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C(/C=C\\CC(=O)O)C(=O)C(=O)O is an oxo dicarboxylic acid that is (4Z)-hept-4-enedioic acid substituted at position 2 by an oxo group. It is an oxo dicarboxylic acid and an olefinic compound. It is a conjugate acid of a (4Z)-2-oxohept-4-enedioate. It is a tautomer of a (2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid.
The molecule O1[C@@]2(C=CC3=CC=C(N3[C@@H]4[C@H]1[C@H](N5C(C)=CC=C5[C@H]24)C)C)[C@@H](O)C O1[C@@]2(C=CC3=CC=C(N3[C@@H]4[C@H]1[C@H](N5C(C)=CC=C5[C@H]24)C)C)[C@@H](O)C is Curvulamine. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .
The molecule OCC(O)C([O-])=O OCC(O)C([O-])=O is A hydroxy monocarboxylic acid anion that is the conjugate base of glyceric acid, obtained by deprotonation of the carboxy group. It has the role of human metabolite . It has the role of fundamental metabolite . Its functional parent is propionate . It is also related to or classified as glycerates , hydroxy monocarboxylic acid anion .
The molecule C(CCC(O)=O)C(/C=C/C=C\C/C=C\CCCCCCCC)=O C(CCC(O)=O)C(/C=C/C=C\C/C=C\CCCCCCCC)=O is A trienoic fatty acid that is (6E,8Z,11Z)-icosatrienoic acid carrying an additional oxo substituent at position 5. It has the role of human xenobiotic metabolite . Its functional parent is (5Z,8Z,11Z)-icosatrienoic acid . It is a conjugate acid of 5-oxo-ETrE(1-) . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as oxo fatty acid , trienoic fatty acid .
The molecule O=C1C2=C(C=C3CC(C)OC4(C3=C2)OC(CC(C4)=O)C)C[C@H]([C@]1(O)C)O O=C1C2=C(C=C3CC(C)OC4(C3=C2)OC(CC(C4)=O)C)C[C@H]([C@]1(O)C)O is Monascuspirolide B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule OC(=O)CCNCCCCNCCC(O)=O OC(=O)CCNCCCCNCCC(O)=O is Spermic acid 2. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [C@H]1(N=C(/C(/S1)=C/COP(O)(=O)O)C)C(O)=O [C@H]1(N=C(/C(/S1)=C/COP(O)(=O)O)C)C(O)=O is A 2,5-dihydro-1,3-thiazole carrying carboxy-, methyl- and (2-phosphonooxy)ethylidene-substituents at positions 2, 4 and 5 respectively. It has the role of bacterial metabolite . It is a conjugate acid of (R,Z)- 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3-) . It is also related to or classified as 2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole  .
The molecule C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)[NH3+])O)O)OP(=O)([O-])[O-] is an organophosphate oxoanion that is the conjugate base of 2-amino-2-deoxy-D-glucopyranose 6-phosphate. It has a role as a human metabolite. It is a conjugate base of a 2-amino-2-deoxy-D-glucopyranose 6-phosphate.
The molecule [Cr+4] [Cr+4] is chromium(4+). It is also related to or classified as monoatomic tetracation  . It is also related to or classified as chromium cation .
The molecule O1C([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC=C(O)C=C4)COC(=O)C O1C([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC=C(O)C=C4)COC(=O)C is Rhamnocitrin 3-(6''-acetylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O=C1C2=C(C(=O)C3=C1C=C(OC)C=C3O)[C@@H](OC(=C2)C)OC[C@@H]4C(=O)CC[C@@H]4C O=C1C2=C(C(=O)C3=C1C=C(OC)C=C3O)[C@@H](OC(=C2)C)OC[C@@H]4C(=O)CC[C@@H]4C is 1R, 4′S, 5′R -ulosporin G. It is also related to or classified as benzoisochromanequinone  .
The molecule O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(O[C@@H]4OC[C@H](O)C(O)C4O)C(=O)C3=C(O)C2)C5=CC(OC)=C(O)C=C5)C O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(O[C@@H]4OC[C@H](O)C(O)C4O)C(=O)C3=C(O)C2)C5=CC(OC)=C(O)C=C5)C is Isorhamnetin 3-alpha-L-arabinopyranoside-7-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule COC1=C(C=CC(=C1)CCC(=O)CCCCC2=CC=C(C=C2)O)O is a diarylheptanoid that is 3-heptanone substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7. It has been isolated from the rhizomes of Curcuma kwangsiensis. It has a role as a plant metabolite. It is a diarylheptanoid, a ketone and a member of guaiacols.
The molecule CCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO CCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO is A cationic sphingoid that is the conjugate acid of C17 sphingosine, obtained by protonation of the primary amino function; major species at pH 7.3. It is a conjugate acid of C17 sphingosine . It is also related to or classified as sphingoid base(1+)  .
The molecule OCC=C OCC=C is A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds. It has the role of fungicide . It has the role of herbicide . It has the role of insecticide . It has the role of antibacterial agent . It has the role of plant metabolite . It is also related to or classified as primary allylic alcohol  . It is also related to or classified as propenol .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC2=CC=C(C=C2)[N+](=O)[O-])CO)O)O is an N-acetyl-alpha-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. It has a role as a chromogenic compound. It is a C-nitro compound and a N-acetyl-alpha-D-glucosaminide. It derives from a 4-nitrophenol.
The molecule C(CCCCCCCCCC(=O)[H])CCCCC(O)=O C(CCCCCCCCCC(=O)[H])CCCCC(O)=O is an omega-oxo fatty acid derived from hexadecanoic acid. It has the role of plant metabolite . Its functional parent is hexadecanoic acid . It is a conjugate acid of 16-oxohexadecanoate . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as aldehydic acid , omega-oxo fatty acid .
The molecule CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)O)COC is a diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively. It derives from an aconitane.
The molecule CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CC[NH+](C)C is an organic cation obtained by protonation of the tertiary amino function of sumatriptan. It is an ammonium ion derivative and an organic cation. It is a conjugate base of a sumatriptan.
The molecule COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC is allocryptopine. It is also related to or classified as aromatic ether , organic heterotetracyclic compound , dibenzazecine alkaloid , cyclic ketone , tertiary amino compound , cyclic acetal .
The molecule CO\C=C(/OC1=CC(=CC=C1C)C1=CC=CC=C1)C(=O)OC CO\C=C(/OC1=CC(=CC=C1C)C1=CC=CC=C1)C(=O)OC is A biphenyl that is 1,1'-biphenyl substituted by [(1Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]oxy and methyl groups at positions 3 and 4, respectively. It is a fungicide from Sumitomo Chemical Co., Ltd. It has the role of fungicide .  It is also related to or classified as methyl ester  .   It is also related to or classified as enol ether  . It is also related to or classified as enoate ester  . It is also related to or classified as biphenyls , toluenes , aromatic ether .
The molecule C1[C@H]2C[C@@]34[C@@]1([C@]35COC(=O)C5=C2)C=CC6=C4[C@H](OC6=O)C7=COC=C7 is a diterpenoid with a rearranged neo-clerodane skeleton isolated from Salvia leucantha and has been shown exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a diterpenoid, a gamma-lactone, a member of furans and a bridged compound.
The molecule CC1=CC2=C(C=C1Br)[C@]3(C)CC[C@@](CO)([C@H]3C)O2 CC1=CC2=C(C=C1Br)[C@]3(C)CC[C@@](CO)([C@H]3C)O2 is A tricyclic sesquiterpenoid that is isolated from the Australian marine alga Laurencia filiformis. It has the role of marine metabolite . It has the role of algal metabolite . It is also related to or classified as primary alcohol  .   It is also related to or classified as organobromine compound  . It is also related to or classified as sesquiterpenoid , organic heterotricyclic compound , cyclic ether .
The molecule OC(=O)C1=CC2=CC(=O)C(=O)C=C2N1 OC(=O)C1=CC2=CC(=O)C(=O)C=C2N1 is an indoledione that is 1H-indole-5,6-dione substituted by a carboxy group at position 2. It has the role of human metabolite . Its functional parent is 5,6-dihydroxyindole-2-carboxylic acid . It is a conjugate acid of indole-5,6-quinone-2-carboxylate . It is also related to or classified as indoledione , orthoquinones , dioxo monocarboxylic acid , indolecarboxylic acid .
The molecule [H]OBr(=O)=O [H]OBr(=O)=O is bromic acid. It is a conjugate acid of bromate . It is also related to or classified as bromine oxoacid .
The molecule C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@@H]4[C@H]([C@@H]([C@H](O[C@H]4OC5=C(OC6=CC(=CC(=C6C5=O)O)O)C7=CC=C(C=C7)O)CO)O)O)CO)O)O)O)O)O)O is a trihydroxyflavone that is kaempferol substituted at position 3 by a 6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucosyl moiety via a glycosidic linkage. It is a member of flavonol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]s, a trihydroxyflavone and a cinnamate ester. It derives from a kaempferol and a trans-4-coumaric acid.
The molecule O1C(C(O)C(O)C(O)C1OC2=C(OC)C(OC)=C3C(OC(=CC3=O)C4=CC=CC=C4)=C2)CO O1C(C(O)C(O)C(O)C1OC2=C(OC)C(OC)=C3C(OC(=CC3=O)C4=CC=CC=C4)=C2)CO is 7-Hydroxy-5,6-dimethoxyflavone 7-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule NC(=O)NC1NC(=O)NC1=O NC(=O)NC1NC(=O)NC1=O is an imidazolidine-2,4-dione that is 5-aminohydantoin in which a carbamoyl group is attached to the exocyclic nitrogen. It has the role of vulnerary . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . Its functional parent is hydantoin . It is also related to or classified as imidazolidine-2,4-dione , ureas .
The molecule [H]OF [H]OF is hypofluorous acid. It is a conjugate acid of hypofluorite . It is also related to or classified as fluorine oxoacid .
The molecule Cl.Cl.NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1 Cl.Cl.NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1 is A hydrochloride resulting from the reaction of pipamperone with 2 mol eq. of hydrogen chloride. It is used as an antipsychotic. It has the role of serotonergic antagonist . It has the role of dopaminergic antagonist . It has the role of first generation antipsychotic . It is also related to or classified as hydrochloride .
The molecule [C@@]12([C@@](C([C@H](CC1)OC(C[C@@H](N(C)C)C3=CC=CC=C3)=O)=C)([C@@H]([C@@]4(CC(C(=C([C@H]([C@@H]2O)OC(=O)C)C4(C)C)C)=O)O)O)[H])C [C@@]12([C@@](C([C@H](CC1)OC(C[C@@H](N(C)C)C3=CC=CC=C3)=O)=C)([C@@H]([C@@]4(CC(C(=C([C@H]([C@@H]2O)OC(=O)C)C4(C)C)C)=O)O)O)[H])C is A diterpene alkaloid and potent cardiotoxin that is found in the leaves and berries of the European yew (Taxus baccata). It has the role of cardiotoxic agent . It is also related to or classified as homoallylic alcohol  .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as acetate ester  .  It is also related to or classified as enone  . It is also related to or classified as diterpene alkaloid , carbotricyclic compound , tertiary amino compound .
The molecule [C@H]1(C2=C([C@@H](CC1)C)CC(C2)(C)C)C(C)=C [C@H]1(C2=C([C@@H](CC1)C)CC(C2)(C)C)C(C)=C is sesquiterpene from Lepista nuda. It is also related to or classified as organic molecular entity .
The molecule O=C(NCC1=CC(OC)=C(O)C=C1)CCC/C=C/C(C)C O=C(NCC1=CC(OC)=C(O)C=C1)CCC/C=C/C(C)C is Norcapsaicin. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C1CC1C2(CN(C2)C3=NC(=NC4=C3N=CN4[C@@H]5C[C@@H](C=C5)CO)N)F is a 2,6-diaminopurine that is an analogue of abacavir in which the cyclopropylamino group at position 6 of the purine moiety is replaced by a 3-cyclopropyl-3-fluoroazetidin-1-yl group. One of a series of synthesised abacavir analogues with antiviral activity found to stimulate IFN-gamma secretion in abacavir-responsive clones. It has a role as an antiviral agent. It is a member of 2,6-diaminopurines and an abacavir.
The molecule CCCN(CCC)CCC CCCN(CCC)CCC is A tertiary amine that is ammonia in which each hydrogen atom is substituted by a propyl group. It is also related to or classified as tertiary amine  .
The molecule Nc1nc2NCC(CNc3ccc(cc3)C([O-])=O)=Nc2c(=O)[nH]1 Nc1nc2NCC(CNc3ccc(cc3)C([O-])=O)=Nc2c(=O)[nH]1 is A pteroate that is the conjugate base of 7,8-dihydropteroic acid, arising from deprotonation of the carboxy group. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is pteroate . It is also related to or classified as pteroates .
The molecule O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C[C@@H](C[C@@H](C=C1)O)C)C)C)CC(C)C O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C[C@@H](C[C@@H](C=C1)O)C)C)C)CC(C)C is 16alpha-methylaspochalasin J. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O is a flavanone glycoside that is hesperitin having an 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety attached to the 7-hydroxy group. It has a role as an antineoplastic agent and a plant metabolite. It is a neohesperidoside, a disaccharide derivative, a dihydroxyflavanone, a member of 3'-hydroxyflavanones, a monomethoxyflavanone, a flavanone glycoside and a member of 4'-methoxyflavanones. It derives from a hesperetin.
The molecule [O-]S(=O)(=O)Nc1ccccc1 [O-]S(=O)(=O)Nc1ccccc1 is an organic sulfamate oxoanion obtained by deprotonation of the sulfamate OH group of benzenamine sulfate. It is also related to or classified as organic sulfamate oxoanion  .
The molecule [C@@H]1([C@H](C[C@H](C(C=CC(=C[C@@H]([C@H](OC(C[C@H]([C@@H]1C)O)=O)CC)C)C)=O)C)CC=O)O[C@H]2[C@H](O)[C@H]([C@@H]([C@H](O2)C)O)N(C)C [C@@H]1([C@H](C[C@H](C(C=CC(=C[C@@H]([C@H](OC(C[C@H]([C@@H]1C)O)=O)CC)C)C)=O)C)CC=O)O[C@H]2[C@H](O)[C@H]([C@@H]([C@H](O2)C)O)N(C)C is A macrolide antibiotic that is 20-oxotylactone having a beta-D-mycaminosyl residue attached at position 5. It has the role of bacterial metabolite . Its functional parent is tylactone . It is also related to or classified as aldehyde  .   It is also related to or classified as enone  . It is also related to or classified as macrolide antibiotic , tertiary amino compound , monosaccharide derivative .
The molecule C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)[O-])[NH3+] is a peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-His. It is a tautomer of a member of Ala-His.
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a phosphatidylglycerol in which the 1- and 2-acyl groups are specified as palmitoyl and oleoyl respectively. It derives from a hexadecanoic acid and an oleic acid. It is a conjugate acid of a 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol(1-).