anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H]C(=CC1=CC=C(O)C=C1)C(=O)NCCCCN(CCCNC(=O)C([H])=CC1=CC=C(O)C=C1)C(=O)C([H])=CC1=CC=C(O)C=C1 [H]C(=CC1=CC=C(O)C=C1)C(=O)NCCCCN(CCCNC(=O)C([H])=CC1=CC=C(O)C=C1)C(=O)C([H])=CC1=CC=C(O)C=C1 is A spermidine hydroxycinnamic acid conjugate in which each nitrogen of spermidine has entered into amide bond formation with a molecule of 4-coumaric acid. Its functional parent is 4-coumaric acid . It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as phenols  . It is also related to or classified as enamide  . It is also related to or classified as spermidine hydroxycinnamic acid conjugate .
The molecule COC1=C(O)C=CC(CCC(=O)CC(=O)CCC2=CC=C(O)C=C2)=C1 COC1=C(O)C=CC(CCC(=O)CC(=O)CCC2=CC=C(O)C=C2)=C1 is A beta-diketone that is tetrahydrocurcumin in which one the methoxy groups has been replaced by a hydrogen atom. It has the role of plant metabolite . It is also related to or classified as monomethoxybenzene , polyphenol , beta-diketone , diarylheptanoid .
The molecule C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)[NH2+]C)O)O is a secondary ammonium ion derived from spectinomycin by protonation of the secondary amino group located between the two alcoholic hydroxy groups. It is a conjugate base of a spectinomycin(2+). It is a conjugate acid of a spectinomycin.
The molecule CC(=O)NCCC[NH3+] is an organic cation obtained by protonation of the free amino group of any N-monoacetylalkane-alpha,omega-diamine; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a N-monoacetylalkane-alpha,omega-diamine.
The molecule [H][C@@]1(O[C@]23C=CC=C2C#CC2=CC#C[C@@]3([H])OC3=C(Cl)C=C(C=C3O)[C@@H](N)CC(=O)OC[C@@H]2OC(=O)C2=CC(OC)=CC3=C2NC(=O)C(=C)O3)OC(C)(C)[C@H]([C@@H](O)[C@H]1O)N(C)C [H][C@@]1(O[C@]23C=CC=C2C#CC2=CC#C[C@@]3([H])OC3=C(Cl)C=C(C=C3O)[C@@H](N)CC(=O)OC[C@@H]2OC(=O)C2=CC(OC)=CC3=C2NC(=O)C(=C)O3)OC(C)(C)[C@H]([C@@H](O)[C@H]1O)N(C)C is an enediyne antibiotic that has formula C43H42ClN3O13. It is a natural product found in Streptomyces globisporus and exhibits antimicrobial and antineoplastic properties. It has the role of antimicrobial agent . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of bacterial metabolite .  It is also related to or classified as phenols  .   It is also related to or classified as diester  . It is also related to or classified as amino sugar , aromatic ether , benzoxazine , enediyne antibiotic , monochlorobenzenes .
The molecule CCC(=O)NC[C@@H]1[C@H]([C@H](N1C(=O)C2CCC2)CO)C3=CC=CC=C3 CCC(=O)NC[C@@H]1[C@H]([C@H](N1C(=O)C2CCC2)CO)C3=CC=CC=C3 is N-[[(2S,3R,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C(\CCCCCCCC(=O)OC(CCCCCCCCCCCC(=O)[O-])CCCCC)=C\CCCCCCCC C(\CCCCCCCC(=O)OC(CCCCCCCCCCCC(=O)[O-])CCCCC)=C\CCCCCCCC is A monocarboxylic acid anion that is the conjugate base of 13-[(9Z)-octadecenoyloxy]octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule C1=CN=C(C=N1)CNC2=C(C(=NN2C3=C(C=C(C=C3Cl)C(F)(F)F)Cl)C#N)SCF is a member of the class of pyrazoles that is 1H-pyrazole which is substituted by a 2,6-dichloro-4-(trifluoromethyl)phenyl, nitrile, (fluoromethyl)sulfanediyl and [(pyrazin-2-yl)methyl]nitrilo groups at positions 1,3,4 and 5, respectively. It is an experimental insecticide introduced by Nihon Nohyaku Co Ltd, Japan. It is a phenylpyrazole insecticide, a dichlorobenzene, a member of (trifluoromethyl)benzenes, a nitrile and an organic sulfide.
The molecule C[C@@H]1O[C@H](C[C@H]([NH3+])[C@@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(O)c4C(=O)c3c(O)c12)C(C)=O C[C@@H]1O[C@H](C[C@H]([NH3+])[C@@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(O)c4C(=O)c3c(O)c12)C(C)=O is an anthracyline cation that is the conjugate acid of carminomycin, obtained by protonation of the amino group. It is a conjugate acid of carminomycin . It is also related to or classified as anthracycline cation .
The molecule CC(=O)OC(/C=C/COC)OC is an olefinic compound that is but-2-en-1-yl acetate substituted by methoxy groups at positions 1 and 4 respectively. It has a role as a metabolite. It is an acetate ester, an ether and an olefinic compound.
The molecule NC(=N)c1ccc2cccc(Nc3ncccn3)c2c1 NC(=N)c1ccc2cccc(Nc3ncccn3)c2c1 is 8-(pyrimidin-2-ylamino)naphthalene-2-carboximidamide.  It is also related to or classified as carboxamidine  . It is also related to or classified as naphthalenes , aminopyrimidine .
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[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](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is an amino disaccharide that consists of N-acetyl-D-glucosamine having an N-acetyl-4,6-di-O-sulfo-beta-D-galactosaminyl residue attached at position 4. It is also related to or classified as amino disaccharide , galactosamine oligosaccharide , glucosamine oligosaccharide , oligosaccharide sulfate .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCC/C=C/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 is a 2,3-trans-enoyl(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,15Z,18Z,21Z,24Z)-triacontapentaenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (2E,15Z,18Z,21Z,24Z)-triacontapentaenoyl-CoA.
The molecule C(\CCCCCCCC(=O)OC(CCCCCCCCCCC(=O)O)CCCCCC)=C\CCCCCCCC C(\CCCCCCCC(=O)OC(CCCCCCCCCCC(=O)O)CCCCCC)=C\CCCCCCCC is A fatty acid ester obtained by formal condensation of the carboxy group of oleic acid with the hydroxy group of 12-hydroxyoctadecanoic acid. Its functional parent is oleic acid . Its functional parent is 12-hydroxyoctadecanoic acid . It is a conjugate acid of 12-[(9Z)-octadecenoyloxy]octadecanoate .  It is also related to or classified as fatty acid ester  . It is also related to or classified as monocarboxylic acid .
The molecule CC=CC1=CC=C(C=C1)[C@@H]2[C@@H](N(C23CN(C3)C(=O)NC(C)C)C(=O)C4CCOCC4)CO CC=CC1=CC=C(C=C1)[C@@H]2[C@@H](N(C23CN(C3)C(=O)NC(C)C)C(=O)C4CCOCC4)CO is LSM-41149. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H]C(=CC1=CC(OC)=C(O)C=C1)C(=O)NCCCCN(CCCNC(=O)C([H])=CC1=CC=C(O)C(OC)=C1)C(=O)C([H])=CC1=CC(OC)=C(O)C=C1 [H]C(=CC1=CC(OC)=C(O)C=C1)C(=O)NCCCCN(CCCNC(=O)C([H])=CC1=CC=C(O)C(OC)=C1)C(=O)C([H])=CC1=CC(OC)=C(O)C=C1 is A spermidine hydroxycinnamic acid conjugate in which N-1, N-5 and N-10 of spermidine have formed amide bonds with a molecule each of ferulic acid. Its functional parent is ferulic acid . It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  .  It is also related to or classified as phenols  . It is also related to or classified as enamide  . It is also related to or classified as monomethoxybenzene , spermidine hydroxycinnamic acid conjugate .
The molecule C([C@H](C(=O)[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-] is an organophosphate oxoanion arising from deprotonation of the phospho and carboxy groups of 2,3-bisphospho-D-glyceric acid; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is an organophosphate oxoanion and a monocarboxylic acid anion. It is a conjugate base of a 2,3-bisphospho-D-glyceric acid.
The molecule OC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1 OC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1 is A trihydroxyflavone with the hydroxy groups at positions C-5, -6 and -7. It has the role of EC 4.1.1.17 (ornithine decarboxylase) inhibitor . It has the role of EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor . It has the role of anticoronaviral agent . It has the role of ferroptosis inhibitor . It has the role of geroprotector . It has the role of antioxidant . It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of antifungal agent . It has the role of angiogenesis inhibitor . It has the role of radical scavenger . It has the role of hormone antagonist . It has the role of prostaglandin antagonist . It has the role of EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor . It has the role of EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of EC 3.4.21.26 (prolyl oligopeptidase) inhibitor . It has the role of plant metabolite . It is a conjugate acid of baicalein(1-) . It is also related to or classified as trihydroxyflavone .
The molecule CC[C@H](/C=C/C=C\\C/C=C\\C/C=C\\C=C\\[C@H](CCCC(=O)[O-])OO)O is an icosanoid anion arising from deprotonation of the carboxylic acid function of 5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid; major species at pH 7.3. It is a conjugate base of a 5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid.
The molecule [H]C(C)=C([H])CCCCC [H]C(C)=C([H])CCCCC is an octene that is octane containing one double bond at position 2. It has the role of mammalian metabolite . It has the role of human metabolite .  It is also related to or classified as octene  . It is also related to or classified as volatile organic compound .
The molecule CC(C)(CO)[C@H](C(=O)NCCCO)O is a monocarboxylic acid amide that is 3,3-dimethylbutanamide substituted by hydroxy groups at positions 2 and 4 and a 3-hydroxypropyl group at the carbomyl nitrogen. It has a role as a cholinergic drug and a provitamin. It is an amino alcohol and a monocarboxylic acid amide.
The molecule OC(=O)\C=C\C=C\C1=CC(=[N+]=[N-])C(=O)C=C1 OC(=O)\C=C\C=C\C1=CC(=[N+]=[N-])C(=O)C=C1 is A diazo compound that is (2E,4E)-5-(cyclohexa-1,5-dien-1-yl)penta-2,4-dienoic acid substituted by diazo and oxo groups at positions 3 and 4, respectively. It is a conjugate acid of 3-diazoavenalumate . It is also related to or classified as diazo compound , alpha,beta-unsaturated monocarboxylic acid .
The molecule CCC/C(=C/C(=O)N[C@@H](CCC(=O)N)C(=O)O)/C is an N(2)-acyl-L-glutamine resulting from the formal condensation of the alpha-amino group of L-glutamine with the carboxy group of (2E)-3-methylhex-2-enoic acid. It is a N(2)-acyl-L-glutamine, a primary carboxamide and a secondary carboxamide. It is a conjugate acid of a N(2)-[(2E)-3-methylhex-2-enoyl]-L-glutaminate.
The molecule CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)C(C(O)C(N)=O)NC(=O)[C@H](CCCN)NC1=O CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)C(C(O)C(N)=O)NC(=O)[C@H](CCCN)NC1=O is A cyclic peptide found in several Streptomyces, consisting in the six following amino acids: D-valine, D-leucine, L-isoleucine, L-ornithine, L-beta-hydroxyasparagine and L-tryptophan. It has the role of bacterial metabolite . It is also related to or classified as homodetic cyclic peptide , indoles , azamacrocycle , primary amide .
The molecule C(\CCCCCCCC(=O)OC(CCCCCCCCCCC(=O)[O-])CCCCCC)=C\CCCCCCCC C(\CCCCCCCC(=O)OC(CCCCCCCCCCC(=O)[O-])CCCCCC)=C\CCCCCCCC is A  monocarboxylic acid anion that is the conjugate base of 12-[(9Z)-octadecenoyloxy]octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule [H][C@@]12CC[C@@]3(C)C(C)=C4C[C@]5(C)CC[C@@H](C(C)C)[C@@]5([H])C[C@]4([H])[C@@]13CC[C@H]2C [H][C@@]12CC[C@@]3(C)C(C)=C4C[C@]5(C)CC[C@@H](C(C)C)[C@@]5([H])C[C@]4([H])[C@@]13CC[C@H]2C is A sesterterpene that is produced by the heterologous expression of sesterterpene synthase EvQS from Aspergillus stellatus. It has the role of fungal metabolite . It has the role of Aspergillus metabolite . It is also related to or classified as sesterterpene  . It is also related to or classified as polycyclic olefin .
The molecule C1C(=O)C2=C(C=C(C=C2OC1(C3=CC(=C(C=C3)O)O)O)O)O is a pentahydroxyflavanone carrying the hydroxy groups at positions 2,3', 4', 5 and 7. It is a pentahydroxyflavanone and a member of 2-hydroxyflavanones.
The molecule [H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)CO [H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)CO is A glycosylfructose isolated from Daphnia magna. It has the role of Daphnia magna metabolite . It is also related to or classified as glycosylfructose .
The molecule CC1=C2CC(=O)O[C@H]([C@@]2(CC[C@@H]1[C@@]34COC(=O)C[C@@H]3OC([C@@H]4CC(=O)[O-])(C)C)C)C5=COC=C5 is the conjugate base of deoxylimonoic acid; major species at pH 7.3. It is a conjugate base of a deoxylimonoic acid.
The molecule CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=[N+]2CCCC(=O)O)N(C)C is the cationic form of 10-(3-carboxypropyl)-3,6-bis(dimethylamino)acridine. It has a role as a fluorochrome. It is a member of aminoacridines, a monocarboxylic acid and an acridinium ion.
The molecule CC(C)C1CCC(C)=C(O)C1=O CC(C)C1CCC(C)=C(O)C1=O is A  cyclic monoterpene ketone that is  cyclohex-2-en-1-one substituted by a hydroxy group at position 2, a methyl group at position 3 and an isopropyl group at position 6. It has the role of plant metabolite .  It is also related to or classified as enol  . It is also related to or classified as cyclic monoterpene ketone .
The molecule [C@@H](C(O)=O)(C1C(=C)C1)N [C@@H](C(O)=O)(C1C(=C)C1)N is A non-proteinogenic L-alpha-amino acid that is glycine in which one of the methyl hydrogens has been replaced by a 2-methylenecyclopropyl group. It has the role of phytotoxin . It has the role of plant metabolite . It is also related to or classified as cyclopropanes , olefinic compound , non-proteinogenic L-alpha-amino acid .
The molecule O=C(O)C[C@@H](O)/C=C/C=C/C=C/[C@H]([C@@H](O)[C@@H](C[C@H]([C@H](O)CC(=O)C1=CC=C(NC)C=C1)C)C)C O=C(O)C[C@@H](O)/C=C/C=C/C=C/[C@H]([C@@H](O)[C@@H](C[C@H]([C@H](O)CC(=O)C1=CC=C(NC)C=C1)C)C)C is Mohangic acid B. It is also related to or classified as long-chain fatty acid  .
The molecule O1[C@@H]([C@H]([C@@H]([C@H]1OCCON=C(C(=O)N[C@H](C(N[C@@H](CC(N)=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N2[C@H](C(=O)N)CCC2)=O)C)=O)CC=3C=CC=CC3)=O)CO)=O)CO)=O)=O)C)[H])O)O)CO[C@H]4O[C@@H]([C@H]([C@@H]4O)O[C@H]5O[C@@H]([C@H]([C@@H]5O[C@@H]6O[C@@H]([C@H]([C@@H]6O)O)CO)O)CO)CO[C@H]7O[C@@H]([C@H]([C@@H]7O[C@@H]8O[C@@H]([C@H]([C@@H]8O)O)CO)O)CO O1[C@@H]([C@H]([C@@H]([C@H]1OCCON=C(C(=O)N[C@H](C(N[C@@H](CC(N)=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N2[C@H](C(=O)N)CCC2)=O)C)=O)CC=3C=CC=CC3)=O)CO)=O)CO)=O)=O)C)[H])O)O)CO[C@H]4O[C@@H]([C@H]([C@@H]4O)O[C@H]5O[C@@H]([C@H]([C@@H]5O[C@@H]6O[C@@H]([C@H]([C@@H]6O)O)CO)O)CO)CO[C@H]7O[C@@H]([C@H]([C@@H]7O[C@@H]8O[C@@H]([C@H]([C@@H]8O)O)CO)O)CO is A glycopeptide consisting of the Ara6 epitope attached to an Ala-Asn-Ser-Ser-Phe-Ala-Pro-NH2 heptapeptide via a [(2-hydroxyethoxy)imino]acetyl linker. It is also related to or classified as glycopeptide  .
The molecule CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)\\C)C is a macrolide antibiotic that is 20-oxotylactone having a beta-D-mycaminosyl residue attached at position 5. It has a role as a bacterial metabolite. It is an enone, a macrolide antibiotic, a monosaccharide derivative, an aldehyde and a tertiary amino compound. It derives from a tylactone.
The molecule CC(C)(O)C1=COC(=C1)S(=O)(=O)NC(=O)NC1=C2CCCC2=CC2=C1CCC2 CC(C)(O)C1=COC(=C1)S(=O)(=O)NC(=O)NC1=C2CCCC2=CC2=C1CCC2 is A member of the class of s-indacenes that is 1,2,3,5,6,7-hexahydro-s-indacene substituted by a ({[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl}carbamoyl)amino group at position 4. It is a potent and selective NLRP3 inhibitor. It has the role of renoprotective agent . It has the role of NLRP3 inhibitor . It has the role of neuroprotective agent . It has the role of anti-inflammatory agent .  It is also related to or classified as tertiary alcohol  .  It is also related to or classified as N-sulfonylurea  . It is also related to or classified as furans , s-indacenes .
The molecule C[NH2+][C@H](CC1=CC=C(O)C(O)=C1)C([O-])=O C[NH2+][C@H](CC1=CC=C(O)C(O)=C1)C([O-])=O is N-methyl-D-dopa zwitterion. Its functional parent is D-dopa zwitterion . It is also related to or classified as amino-acid zwitterion .
The molecule CC[C@H]1C(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C is a cyclosporin A derivative that is cyclosporin A in which residue 4 (N-methylleucine) has undergone N-demethylation. It has a role as a drug metabolite.
The molecule [H]C(=C([H])C1=CC(OC)=C(O)C=C1)C(=O)CC(=O)CCC1=CC(OC)=C(O)C=C1 [H]C(=C([H])C1=CC(OC)=C(O)C=C1)C(=O)CC(=O)CCC1=CC(OC)=C(O)C=C1 is 1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione. It has the role of plant metabolite .   It is also related to or classified as enone  . It is also related to or classified as monomethoxybenzene , polyphenol , beta-diketone , diarylheptanoid .
The molecule CCC(=O)N1[C@@H]([C@H]([C@H]1CO)C2=CC=C(C=C2)C3=CCCCC3)CNCC4CCC4 CCC(=O)N1[C@@H]([C@H]([C@H]1CO)C2=CC=C(C=C2)C3=CCCCC3)CNCC4CCC4 is 1-[(2S,3R,4S)-2-[(cyclobutylmethylamino)methyl]-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-azetidinyl]-1-propanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C/C(=C/CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/CO is an N-glycosylzeatin that is zeatin in which the hydrogen attached to the nitrogen at position 9 of the adenine moiety is replaced by a beta-D-ribofuranosyl group. It has a role as a cytokinin. It is a N-glycosylzeatin and a member of adenosines. It derives from a N-ribosyl-N(6)-isopentenyladenine.
The molecule O=C(O)C(=CCC[C@@]1([C@@H](C(=O)O)C[C@H]1C(=O)C)C)C O=C(O)C(=CCC[C@@]1([C@@H](C(=O)O)C[C@H]1C(=O)C)C)C is Harzianoic acid A. It is also related to or classified as medium-chain fatty acid  .
The molecule O([C@H]1[C@H](O)[C@@H](O[C@H]2OC[C@@H](O)[C@H](N)[C@H]2O)[C@H](N)C[C@@H]1N)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3N)CO O([C@H]1[C@H](O)[C@@H](O[C@H]2OC[C@@H](O)[C@H](N)[C@H]2O)[C@H](N)C[C@@H]1N)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3N)CO is 3''-Amino-3''-deoxygentamicin A2. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC(C/C=C(/CO)\C)C(C)=C)/C)/C)/C)\C)(/C=C/C=C(/CCC(C/C=C(/CO)\C)C(C)=C)\C)\C C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC(C/C=C(/CO)\C)C(C)=C)/C)/C)/C)\C)(/C=C/C=C(/CCC(C/C=C(/CO)\C)C(C)=C)\C)\C is A C50 carotenoid that is an intermediate in the biosyntheses of decaprenoxanthin by Corynebacterium glutamicum and gamma-cyclic sarcinaxanthin by Micrococcus luteus. It has the role of bacterial metabolite . It is also related to or classified as primary allylic alcohol  . It is also related to or classified as diol  . It is also related to or classified as C50 carotenoid .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCCC[C@H](CC(=O)O)O)O)O is an (omega-1)-hydroxy fatty acid ascaroside that is ascr#26 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an (omega-1)-hydroxy fatty acid ascaroside, a 3-hydroxy carboxylic acid and a monocarboxylic acid. It derives from an ascr#26 and a (3R,14R)-3,14-dihydroxypentadecanoic acid. It is a conjugate acid of a bhas#26(1-).
The molecule [H][C@@]12CCC3=C(C(=O)C=C(C3)C(C)C)[C@@]1(C)CCCC2(C)C [H][C@@]12CCC3=C(C(=O)C=C(C3)C(C)C)[C@@]1(C)CCCC2(C)C is an abietane diterpenoid that is miltiradiene in which the carbon at position 11 has been oxidised to the corresponding oxo group. It has the role of plant metabolite . Its functional parent is miltiradiene . It is a conjugate acid of 11-oxomiltiradiene(1-) . It is also related to or classified as abietane diterpenoid , carbotricyclic compound , cyclic ketone , tricyclic diterpenoid .
The molecule CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])[O-])NC(=O)CCCCCCCCC)O is a N-acylsphingosine 1-phosphate(2-) in which the N-acyl group is specified as decanoyl. It is a conjugate base of a N-decanoylsphingosine 1-phosphate.
The molecule OC1=C(O)C=C(\C=C\C(=O)CC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1 OC1=C(O)C=C(\C=C\C(=O)CC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1 is A beta-diketone that is curcumin in which the two methoxy groups have been replaced by hydroxy groups. It is a metabolite of curcumin. It has the role of neuroprotective agent . It has the role of anti-inflammatory agent . It has the role of plant metabolite .  It is also related to or classified as catechols  . It is also related to or classified as enone  . It is also related to or classified as polyphenol , beta-diketone , diarylheptanoid .
The molecule CC(C)(C=C)C1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=CC=C3)O)O is a trihydroxyflavone that is galangin substituted by a 1,1-dimethylallyl moiety at position 8. It is isolated from the buds of Platanus acerifolia. It is a trihydroxyflavone and a member of flavonols. It derives from a galangin.
The molecule OCC(=O)[C@@H](O)[C@@H](O)COP([O-])([O-])=O OCC(=O)[C@@H](O)[C@@H](O)COP([O-])([O-])=O is A doubly-charged organophosphate oxoanion arising from deprotonation of the phosphate OH groups of L-ribulose 5-phosphate; major species at pH 7.3. It has the role of fundamental metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)\C)(/C=C/C=C(/CCC(C/C=C(/CO)\C)C(C)=C)\C)\C C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)\C)(/C=C/C=C(/CCC(C/C=C(/CO)\C)C(C)=C)\C)\C is A C45 carotenoid that is an intermediate in the biosyntheses of decaprenoxanthin by Corynebacterium glutamicum and gamma-cyclic sarcinaxanthin by Micrococcus luteus. It has the role of bacterial metabolite . It is also related to or classified as primary allylic alcohol  . It is also related to or classified as C45 carotenoid .
The molecule C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C is a steroid glucosiduronic acid that is 5alpha-dihydrotestosterone having a beta-D-glucuronosyl-(1->2)-glucuronic acid residue attached at position 17. It is a 3-oxo-5alpha-steroid, a steroid glucosiduronic acid and a disaccharide derivative. It derives from a 17beta-hydroxy-5alpha-androstan-3-one. It is a conjugate acid of a 5alpha-dihydrotestosterone 17-O-[beta-D-glucuronosyl-(1->2)-glucuronide](2-).
The molecule COC1=[N+](N=CC(=C1)N)C2=CC=CC=C2.COS(=O)(=O)[O-] is an azaheterocycle sulfate salt of amezinium. It is a sympathomimetic drug which suppresses noradrenaline reuptake and thereby elevating blood pressure. It is used for the treatment of low blood pressure in patients undergoing dialysis. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor, an antihypotensive agent, a sympathomimetic agent and an adrenergic uptake inhibitor. It contains an amezinium.
The molecule [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.O.O.[Na+].[Na+].[Fe+4] is a hydrate that is the dihydrate form of sodium nitroprusside. It has a role as a nitric oxide donor and a vasodilator agent. It contains a sodium nitroprusside.
The molecule O1C=2C(C(=O)C(OC)=C1C3=CC=C(O)C=C3)=C(O)C=C(OC)C2 O1C=2C(C(=O)C(OC)=C1C3=CC=C(O)C=C3)=C(O)C=C(OC)C2 is Kumatakenin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H]C(CC)=C([H])CCCC [H]C(CC)=C([H])CCCC is an octene that is octane containing one double bond at position 3.  It is also related to or classified as octene  . It is also related to or classified as volatile organic compound .
The molecule C=CCSO is an S-alkylsulfenic acid in which the alkyl group is specified as allyl. It has a role as a radical scavenger and a plant metabolite.