anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=C1C(O)=C(C(=O)C(=C1C2=CC=3OC(=O)C(N(O)C(=O)/C(=N/OC)/[C@H](CC)C)(C[C@H](CC)C)OC3C=C2)O)C4=CC=C(O)C=C4 O=C1C(O)=C(C(=O)C(=C1C2=CC=3OC(=O)C(N(O)C(=O)/C(=N/OC)/[C@H](CC)C)(C[C@H](CC)C)OC3C=C2)O)C4=CC=C(O)C=C4 is Hydnellin B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O is a glycosyl alditol consisting of alpha-D-glucopyranose and D-mannitol residues joined in sequence by a (1->1) glycosidic bond. It has a role as a sweetening agent. It derives from an alpha-D-glucose and a D-mannitol.
The molecule [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)[C@]2([H])C(=O)C=C2[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C#N)NC(=O)C(C)(F)F [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)[C@]2([H])C(=O)C=C2[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C#N)NC(=O)C(C)(F)F is A semi-synthetic triterpenoid drug. It is an Nrf2 activator that is approved for the treatment of Friedreich's ataxia in adults and adolescents aged 16 years and older. It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of anti-inflammatory agent . It has the role of cardioprotective agent . It is also related to or classified as secondary carboxamide  . It is also related to or classified as nitrile  .   It is also related to or classified as organofluorine compound  . It is also related to or classified as pentacyclic triterpenoid , cyclic terpene ketone .
The molecule CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)O is a glycodihydroceramide having an alpha-D-glucuronic acid residue at the O-1 position and a tetradecanoyl group attached to the nitrogen. It derives from a D-glucopyranuronic acid.
The molecule CS([O-])(=O)=O.Cc1ccc(cc1)C(=O)Oc1ccc(cc1OC(=O)c1ccc(C)cc1)[C@@H](O)C[NH2+]C(C)(C)C CS([O-])(=O)=O.Cc1ccc(cc1)C(=O)Oc1ccc(cc1OC(=O)c1ccc(C)cc1)[C@@H](O)C[NH2+]C(C)(C)C is the methanesulfonate salt of (R)-bitolterol. It is also related to or classified as bitolterol mesylate  .
The molecule CC(C)C(=O)OC(=O)C(C)C is an acyclic carboxylic anhydride of isobutyric acid. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from an isobutyric acid.
The molecule C(N(C(=O)NC)O)CC[C@@H](C(=O)[O-])[NH3+] C(N(C(=O)NC)O)CC[C@@H](C(=O)[O-])[NH3+] is an L-citrulline derivative in which the delta-nitrogen atoms carries a hydroxy group and one of the omega-nitrogen atoms carries a methyl group; major species at pH 7.3. Its functional parent is L-citrulline zwitterion . It is also related to or classified as amino-acid zwitterion , non-proteinogenic L-alpha-amino acid .
The molecule C=1C(=C(C(=C(C1)C(=O)C=2C=NN(C2OC(OC(OC)=O)C)CC)C)OCCOC)S(C)(=O)=O C=1C(=C(C(=C(C1)C(=O)C=2C=NN(C2OC(OC(OC)=O)C)CC)C)OCCOC)S(C)(=O)=O is A benzoylpyrazole that is 1H-pyrazole substituted by an ethyl, 3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl, and 1-[(methoxycarbonyl)oxy]ethoxy groups at positions 1, 4 and 5, respectively.   It is also related to or classified as sulfone  . It is also related to or classified as benzoylpyrazole  . It is also related to or classified as toluenes , aromatic ether , carbonate ester , aromatic ketone .
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-[(3S,9S,10R)-12-[(2S)-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 C(OP(=O)(OCC(CO)O)O)[C@@H](COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)OC(C/C=C/CCCCCCCCCCCC)=O C(OP(=O)(OCC(CO)O)O)[C@@H](COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)OC(C/C=C/CCCCCCCCCCCC)=O is A phosphatidylglycerol (18:3/16:1) in which the 1- and 2-acyl groups are specified as alpha-linolenoyl and (3E)-hexadecenoyl respectively. It has the role of Brassica napus metabolite . It is also related to or classified as phosphatidylglycerol 18:3/16:1  . It is also related to or classified as L-alpha-phosphatidylglycerol  .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl is 1-[(3R,9S,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]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]-3-(3,5-dimethyl-4-isoxazolyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F is N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=C3F)C CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=C3F)C is N-[(4S,7R,8R)-5-[(2-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCC(=O)SC[C@@H](C(=O)O)N is a palmitoyl-L-cysteine in which the palmitoyl group is attached to the sulfur via a thioester linkage. It is a palmitoyl-L-cysteine, a S-palmitoyl amino acid and a S-(long-chain fatty acyl)-L-cysteine.
The molecule O=C1C2=C(OC=C1C3=CC(OC4OC(C(O)C(C4O)O)C)=C(O)C=C3)C=C(O)C=C2O O=C1C2=C(OC=C1C3=CC(OC4OC(C(O)C(C4O)O)C)=C(O)C=C3)C=C(O)C=C2O is N99-596 B. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule C1(C)(C)C(\C=C\C(=C\C=C\C(=C\COC(CCCCCCC)=O)\C)\C)=C(C)CCC1 C1(C)(C)C(\C=C\C(=C\C=C\C(=C\COC(CCCCCCC)=O)\C)\C)=C(C)CCC1 is an all-trans-retinyl ester obtained by formal condensation of the carboxy group of octanoic acid with the hydroxy group of all-trans-retinol. It is also related to or classified as all-trans-retinyl ester  . It is also related to or classified as octanoate ester  .
The molecule C[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-] is the (1R,1'R,2R,2'R)-diastereoisomer of atracurium besylate. Commercial preparations of atracurium are mixtures of 10 stereoisomers, of which cisatracurium generally constitutes about 15%. Cisatracurium besylate is about 3 times more potent than the mixture of atracurium isomers as a neuromuscular blocking agent, and is used as a muscle relaxant for endotracheal intubation, to aid controlled ventilation, and in general anaesthesia. It has a role as a muscle relaxant and a nicotinic antagonist. It is a quaternary ammonium salt, an atracurium besylate and an organosulfonate salt. It contains a cisatracurium.
The molecule CCCCCCC\C=C/C\C=C/C\C=C/CCC#N CCCCCCC\C=C/C\C=C/C\C=C/CCC#N is the nitrile obtained by formal condensation of (Z,Z,Z)-octadeca-4,7,10-trienoic acid with ammonia. It is also related to or classified as fatty nitrile .
The molecule O1[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O)[C@H](NC(=O)C)[C@@H](O)[C@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)[C@H]1CO O1[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O)[C@H](NC(=O)C)[C@@H](O)[C@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)[C@H]1CO is an amino tetrasaccharide consisting of two alpha-D-mannopyranosyl and two 2-acetamido-2-deoxy-beta-D-glucopyranosyl residues joined in sequence by (1->6), (1->4) and (1->4) glycosidic linkages. It is also related to or classified as acetamides , amino tetrasaccharide .
The molecule C1=CC=C(C=C1)[C@@H]2[C@H](N([C@H]2CO)CC3=CN=CC=C3)CNC(=O)C4=CC=CC=N4 C1=CC=C(C=C1)[C@@H]2[C@H](N([C@H]2CO)CC3=CN=CC=C3)CNC(=O)C4=CC=CC=N4 is N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(3-pyridinylmethyl)-2-azetidinyl]methyl]-2-pyridinecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC1=CCC(C1(C)C)C2=CCC(CC2)CO is a primary alcohol and a cyclohexenylalkanol. It has a role as a fragrance. It contains a campholenic cyclohexenyl group. It derives from a hydride of a cyclopentene.
The molecule CCCCOC(CSC)=O CCCCOC(CSC)=O is A carboxylic ester obtained by the formal condensation of the carboxy group of (methylthio)acetic acid with butan-1-ol. It has the role of metabolite . Its functional parent is (methylthio)acetic acid . It is also related to or classified as carboxylic ester  . It is also related to or classified as methyl sulfide  .
The molecule CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)OC[C@@H]1C)C)OC)C CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)OC[C@@H]1C)C)OC)C is 3-fluoro-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1O[C@H]([C@@H](O)CCC(=O)CCCC=CC=2C1=C(O)C=C(O)C2)C O=C1O[C@H]([C@@H](O)CCC(=O)CCCC=CC=2C1=C(O)C=C(O)C2)C is 9′alpha-hydroxyzearalenone. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 is N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4 is a benzazepine and a tetracyclic antidepressant. It has a role as an alpha-adrenergic antagonist, a serotonergic antagonist, a histamine antagonist, an anxiolytic drug, a H1-receptor antagonist and a oneirogen.
The molecule C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C is N-[(5R,6S,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O is a branched pentasaccharide consisting of a D-GlcNAc residue at the reducing end with an alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc moiety attached via a beta-(1->4) linkage. It has a role as a carbohydrate allergen. It is an amino pentasaccharide and a paucimannose N-glycan.
The molecule NC(=N)N[C@@H]1C[C@H](NC(N)=N)[C@@H](O)[C@H](O)[C@H]1O NC(=N)N[C@@H]1C[C@H](NC(N)=N)[C@@H](O)[C@H](O)[C@H]1O is an amino cyclitol that is streptidine in which the hydroxy group between the two guanidino groups is replaced by hydrogen. Its functional parent is streptidine . It is also related to or classified as guanidines , triol , amino cyclitol .
The molecule C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@H]3[C@@H]2CC[C@H]([C@]4(C3)CCC(=O)O4)[C@@](C)(CO)O)C)C)C(=O)O is a tetracyclic triterpenoid that is a rearranged pentanortriterpenoid derived from cycloartane. Isolated from the leaves and stem of Schisandra lancifolia, it exhibits anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It is an oxaspiro compound, a tetracyclic triterpenoid, a gamma-lactone, a diol and a monocarboxylic acid.
The molecule O1C([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC3=C(C2=O)C(O)=C(OC)C(O)=C3)C4=CC(O)=C(O)C=C4)CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO O1C([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC3=C(C2=O)C(O)=C(OC)C(O)=C3)C4=CC(O)=C(O)C=C4)CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO is Patuletin 3-gentiobioside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H]1CC[C@H]2[C@@](O1)(C=CCC2(C)C)C is an organic heterobicyclic compound that is 3,4,4a,5,6,8a-hexahydro-2H-1-benzopyran substituted by methyl groups at positions 2, 5, 5 and 8a respectively. It has a role as a metabolite. It is an organic heterobicyclic compound and an oxacycle.
The molecule O([C@H]1[C@H](O)[C@H](O[C@@H](O)[C@@H]1NC(=O)C)CO[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C O([C@H]1[C@H](O)[C@H](O[C@@H](O)[C@@H]1NC(=O)C)CO[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C is an amino trisaccharide that is 2-acetamido-2-deoxy-beta-D-glucopyranose in which the hydroxy groups at positions 3 and 6 have each been glycosylated by an alpha-L-fucopyranosyl group. Its functional parent is alpha-L-Fucp-(1->3)-beta-D-GlcpNAc . It is also related to or classified as acetamides , amino trisaccharide .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C is 4-(dimethylamino)-N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(N(C(=O)N(C)N=O)O)CC[C@@H](C(=O)[O-])[NH3+] C(N(C(=O)N(C)N=O)O)CC[C@@H](C(=O)[O-])[NH3+] is an L-citrulline derivative in which the delta-nitrogen atoms carries a hydroxy group, one of the omega-nitrogen atoms carries a methyl group and the other omega-nitrogen atoms carries a nitroso group; major species at pH 7.3. Its functional parent is L-citrulline zwitterion . It is also related to or classified as amino-acid zwitterion , non-proteinogenic L-alpha-amino acid .
The molecule CCCCC\C=C/C\C=C/C[C@H](O)\C=C\C=C/CCCC(O)=O CCCCC\C=C/C\C=C/C[C@H](O)\C=C\C=C/CCCC(O)=O is A HETE having a (9S)-hydroxy group and (5Z)-, (7E)-, (11Z)- and (14Z)-double bonds. Its functional parent is icosa-5,7,11,14-tetraenoic acid . It is also related to or classified as HETE .
The molecule COC1=CC=CC=C1[C@H](C(=O)N(CC2=CC=CO2)CC3=CC=CS3)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)C=C5 is a sulfonamide resulting from the formal condensation of the sulfonic acid group of 2-oxo-1,2-dihydroquinoline-6-sulfonic acid with the primary amino group of (2R)-2-amino-N-(2-furylmethyl)-2-(2-methoxyphenyl)-N-(2-thienylmethyl)acetamide. OSMI-1 is a cell permeable inhibitor of O-linked beta-N-acetylglucosamine transferase (O-GlcNAc transferase, OGT). It has a role as an EC 2.* (transferase) inhibitor and an EC 2.4.1.255 (protein O-GlcNAc transferase) inhibitor. It is a sulfonamide, a member of quinolines, a member of furans, a member of thiophenes, an aromatic ether and a tertiary carboxamide.
The molecule O=C1C2=C(O)C(C3=C4O[C@](C(=O)OC)([C@H]5OC(=O)C[C@@H]5C)CC(C4=C(O)C=C3)=O)=C(C)C=C2O[C@@](C1)(C(=O)OC)[C@H]6OC(=O)CC6 O=C1C2=C(O)C(C3=C4O[C@](C(=O)OC)([C@H]5OC(=O)C[C@@H]5C)CC(C4=C(O)C=C3)=O)=C(C)C=C2O[C@@](C1)(C(=O)OC)[C@H]6OC(=O)CC6 is Xylaromanone B. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C[C@@H]1OC)C)C is 1-(3,4-dichlorophenyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=C(C=C1CCC(=O)NCCCCNCCCNC(=O)CCC2=CC(=C(C=C2)O)O)O)O is a secondary carboxamide resulting from the formal condensation of a molecule of dihydrocaffeic acid with each of the primary amino groups of spermidine. Found in potato tubers. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and a plant metabolite. It is a secondary carboxamide, a member of catechols and a secondary amino compound. It derives from a 3-(3,4-dihydroxyphenyl)propanoic acid and a spermidine.
The molecule P(OC[C@@H](CO)OC(CCCCCCC)=O)(=O)(OCC[N+](C)(C)C)[O-] P(OC[C@@H](CO)OC(CCCCCCC)=O)(=O)(OCC[N+](C)(C)C)[O-] is A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as octanoyl. Its functional parent is octanoic acid . It is also related to or classified as 2-acyl-sn-glycero-3-phosphocholine  .
The molecule [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC(O)=O [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC(O)=O is prostaglandin I2. It has the role of mouse metabolite . It is a conjugate acid of prostaglandin I2(1-) . It is also related to or classified as prostaglandins I  .
The molecule C1=CC(=CC=C1C=O)S(=O)(=O)[O-] is an arenesulfonate that is the conjugate base of 4-formylbenzenesulfonic acid, obtained by deprotonation of the sulfonic acid group. It is a conjugate base of a 4-formylbenzenesulfonic acid.
The molecule CCCCC\C=C/C\C=C/C=C/[C@H](C\C=C/CCCC([O-])=O)OO CCCCC\C=C/C\C=C/C=C/[C@H](C\C=C/CCCC([O-])=O)OO is A HPETE anion obtained by deprotonation of the carboxy group of (8S)-HPETE. It is also related to or classified as 8-HPETE(1-)  . It is also related to or classified as HPETE anion .
The molecule CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(NCc3ccc(cc3)-c3ccc(Cl)cc3)[C@@H](O)[C@H](C)O1)c(Cl)c2 CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(NCc3ccc(cc3)-c3ccc(Cl)cc3)[C@@H](O)[C@H](C)O1)c(Cl)c2 is A semisynthetic glycopeptide used (as its bisphosphate salt) for the treatment of acute bacterial skin and skin structure infections caused or suspected to be caused by susceptible isolates of designated Gram-positive microorganisms including MRSA. It has the role of antimicrobial agent . It has the role of antibacterial drug . Its functional parent is vancomycin aglycone . It is also related to or classified as glycopeptide  . It is also related to or classified as disaccharide derivative , semisynthetic derivative .
The molecule O=C1OCC2OC(O)C3OC(=O)C4=CC(O)=C(O)C(O)=C4C5=C(O)C(O)=C(O)C=C5C(=O)OC3C2OC(=O)C6=CC(O)=C(O)C(O)=C6C7=C(O)C(O)=C8OC(=O)C=9C(=C(O)C(O)=C%10OC(=O)C7=C8C%109)C%11=C(O)C(O)=C(O)C=C1%11 O=C1OCC2OC(O)C3OC(=O)C4=CC(O)=C(O)C(O)=C4C5=C(O)C(O)=C(O)C=C5C(=O)OC3C2OC(=O)C6=CC(O)=C(O)C(O)=C6C7=C(O)C(O)=C8OC(=O)C=9C(=C(O)C(O)=C%10OC(=O)C7=C8C%109)C%11=C(O)C(O)=C(O)C=C1%11 is an ellagitannin with formula C48H28O30. It is found in pomegranates and exhibits potent antiinflammatory, antiatherogenic, anticancer, and antioxidant activities. It has the role of autophagy inducer . It has the role of ferroptosis inhibitor . It has the role of antioxidant . It has the role of antiviral agent . It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of nutraceutical . It has the role of antiatherogenic agent . It has the role of hepatoprotective agent . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of plant metabolite . Its functional parent is D-glucopyranose .  It is also related to or classified as carboxylic ester  . It is also related to or classified as ellagitannin .
The molecule C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O is a xylose derivative that is beta-D-xylose in which the hydrogen of the anomeric hydroxy group is replaced by myricetin. it has been isolated from Mimosa diplotricha. It has a role as a plant metabolite. It is a xylose derivative, a glycosyloxyflavone, a monosaccharide derivative and a pentahydroxyflavone. It derives from a myricetin.
The molecule [99Tc].P(O)(C([H])([H])P(=O)(O)O)(=O)O [99Tc].P(O)(C([H])([H])P(=O)(O)O)(=O)O is technetium-99 medronate. It is also related to or classified as technetium molecular entity , inorganic phosphonate .
The molecule O[C@H]([C@@H](NCC=1C(N)=CC=CC1)CC(C)C)CC(O)=O O[C@H]([C@@H](NCC=1C(N)=CC=CC1)CC(C)C)CC(O)=O is 2-Aminobenzylstatine. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(O)=O CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(O)=O is A 9-HODE in which the 9-hydroxy group has S-stereochemistry. It is a conjugate acid of 9(S)-HODE(1-) . It is also related to or classified as 9-HODE  .
The molecule [H]C(=O)CCCCCCCCC [H]C(=O)CCCCCCCCC is A saturated fatty aldehyde formally arising from reduction of the carboxy group of capric acid (decanoic acid). It has the role of antifungal agent . It has the role of fragrance . It has the role of plant metabolite . It is also related to or classified as n-alkanal  . It is also related to or classified as saturated fatty aldehyde  . It is also related to or classified as medium-chain fatty aldehyde  .
The molecule C(N(C(=NO)NC)O)CC[C@@H](C(=O)[O-])[NH3+] C(N(C(=NO)NC)O)CC[C@@H](C(=O)[O-])[NH3+] is an L-arginine derivative in which the delta-nitrogen atoms carries a hydroxy group, one of the omega-nitrogen atoms carries a hydroxy group and the other omega-nitrogen atoms carries a methyl group; major species at pH 7.3. Its functional parent is L-arginine derivative . It is also related to or classified as amino-acid zwitterion , non-proteinogenic L-alpha-amino acid .
The molecule C(OP(=O)(OCC(CO)O)O)[C@@H](COC(CCCCCCC/C=C\C/C=C\CCCCC)=O)OC(C/C=C/CCCCCCCCCCCC)=O C(OP(=O)(OCC(CO)O)O)[C@@H](COC(CCCCCCC/C=C\C/C=C\CCCCC)=O)OC(C/C=C/CCCCCCCCCCCC)=O is A phosphatidylglycerol (18:2/16:1) in which the 1- and 2-acyl groups are specified as linoleoyl and (3E)-hexadecenoyl respectively. It has the role of Brassica napus metabolite . It is also related to or classified as phosphatidylglycerol (18:2/16:1)  . It is also related to or classified as L-alpha-phosphatidylglycerol  .
The molecule C1=CC2=C(C(=O)C(=C(C2=O)N)Br)N=C1 C1=CC2=C(C(=O)C(=C(C2=O)N)Br)N=C1 is 6-amino-7-bromoquinoline-5,8-dione is a synthetic organic compound belonging to the quinolinedione family. This compound is characterized by the presence of an amino group at the 6th position, a bromine atom at the 7th position, and a quinolinedione core. Quinolinediones are known for their diverse biological activities, including anticancer, antibacterial, antifungal, and antimalarial properties. (BenchChem). It is also related to or classified as organic molecular entity .
The molecule ClC1=C(OC)C(OC)=C(OC)C(=C1CO)O ClC1=C(OC)C(OC)=C(OC)C(=C1CO)O is Alcalinaphenol C. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C1=CC(=C(C=C1O)C=O)O is a dihydroxybenzaldehyde carrying hydroxy groups at positions 2 and 5. It has a role as a Penicillium metabolite, a mouse metabolite and a human metabolite.
The molecule C12=C(C(=C3C(=C1)OC(=C(C3=O)OC)C4=CC(=C(C=C4)O)OC)O)OCO2 C12=C(C(=C3C(=C1)OC(=C(C3=O)OC)C4=CC(=C(C=C4)O)OC)O)OCO2 is 5,4'-dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .