anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=C1N(OC)C(=C(O)[N@+]2([C@@]1(OC3=C(C=CC(=C3)C4=C(OC(=O)C)C(OC(=O)C)=C(C5=CC=C(O)C=C5)C(=C4OC(=O)C)OC(=O)C)O2)[C@H](CC)C)[O-])[C@H](CC)C O=C1N(OC)C(=C(O)[N@+]2([C@@]1(OC3=C(C=CC(=C3)C4=C(OC(=O)C)C(OC(=O)C)=C(C5=CC=C(O)C=C5)C(=C4OC(=O)C)OC(=O)C)O2)[C@H](CC)C)[O-])[C@H](CC)C is Phellodonin. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [H][C@@]12CC[C@H](COC)\C1=C\[C@@]1(C)[C@@H](O)CC([C@H](C)COC(C)=O)=C1[C@@H](O[C@H]1O[C@H](COC(C)(C)C=C)[C@@H](O)[C@H](OC(C)=O)[C@H]1O)[C@H](O)[C@@H]2C [H][C@@]12CC[C@H](COC)\C1=C\[C@@]1(C)[C@@H](O)CC([C@H](C)COC(C)=O)=C1[C@@H](O[C@H]1O[C@H](COC(C)(C)C=C)[C@@H](O)[C@H](OC(C)=O)[C@H]1O)[C@H](O)[C@@H]2C is fusicoccin. It has the role of toxin . It is also related to or classified as acetate ester  .
The molecule CC1=C(C(=C(C(=C1Cl)[O-])C/C=C(\\C)/CC/C=C(\\C)/[C@@H]2C[C@@H](C(O2)(C)C)O)O)C=O is a phenolate anion resulting from the deprotonation of the hydroxy group that is para- to the aldehyde group of ascofuranol. The major species at pH 7.3. It is a conjugate base of an ascofuranol.
The molecule [Na+].C[C@]12CC[C@H]3C(=CCc4cc(OS([O-])(=O)=O)ccc34)[C@@H]1CCC2=O [Na+].C[C@]12CC[C@H]3C(=CCc4cc(OS([O-])(=O)=O)ccc34)[C@@H]1CCC2=O is equilin sodium sulfate. Its functional parent is equilin . It is also related to or classified as steroid sulfate .
The molecule [NH2+]1[C@@H](CC=2C=3C(NC2)=CC=CC3)CN([C@H](C1)C(C)C)C(=O)C [NH2+]1[C@@H](CC=2C=3C(NC2)=CC=CC3)CN([C@H](C1)C(C)C)C(=O)C is major microspecies at pH 7.3. It is also related to or classified as secondary ammonium ion  . It is also related to or classified as piperazines .
The molecule O(C(CCCC(OC)=O)C)C(=O)C O(C(CCCC(OC)=O)C)C(=O)C is Methyl 5-acetoxyhexanoate. It is also related to or classified as fatty acid methyl ester  .
The molecule CC(C)Nc1nc(N)nc(Cl)n1 CC(C)Nc1nc(N)nc(Cl)n1 is A chloro-1,3,5-triazine that is  6-chloro-1,3,5-triazine-2,4-diamine in which one of the hydrogens of the amino group is replaced by a propan-2-yl group. It has the role of marine xenobiotic metabolite . Its functional parent is 6-chloro-1,3,5-triazine-2,4-diamine . It is also related to or classified as chloro-1,3,5-triazine , diamino-1,3,5-triazine .
The molecule O[C@H]([C@@H](O)C(=O)CO)[C@H](O)C([O-])=O O[C@H]([C@@H](O)C(=O)CO)[C@H](O)C([O-])=O is A ketogluconate that is the conjugate base of 5-dehydro-L-gluconic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3.  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as ketogluconate .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 is N-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.O=[W]123O[W]45(=O)O[W]6(=O)(O1)O[W]17(=O)O[W]8(=O)(O2)O[W]29(=O)O[W]%10(=O)(O3)O[W]3(=O)(O4)O[W]4(=O)(O5)O[W]5(=O)(O6)O[W]6(=O)(O1)O[W]1%11(=O)O[W](=O)(O8)(O7)O[W](=O)(O2)(O[W]2(=O)(O9)O[W](=O)(O%10)(O3)O[W](=O)(O4)(O5)O[W](=O)(O2)(O6)O1)O%11 [O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.O=[W]123O[W]45(=O)O[W]6(=O)(O1)O[W]17(=O)O[W]8(=O)(O2)O[W]29(=O)O[W]%10(=O)(O3)O[W]3(=O)(O4)O[W]4(=O)(O5)O[W]5(=O)(O6)O[W]6(=O)(O1)O[W]1%11(=O)O[W](=O)(O8)(O7)O[W](=O)(O2)(O[W]2(=O)(O9)O[W](=O)(O%10)(O3)O[W](=O)(O4)(O5)O[W](=O)(O2)(O6)O1)O%11 is diphosphooctadecatungstate(6-). It is also related to or classified as tungsten coordination entity , metal oxide cage compound .
The molecule O=C1N[C@@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)NC2)CC(C)C O=C1N[C@@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)NC2)CC(C)C is Cyclo-(D-Leu-L-Trp). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule N12[C@@H](CC34C5([C@@H]1NC6=CC=CC=C56)CC7N([C@H]3NC8=CC=CC=C48)C[C@@H]([NH+](C7)C)C(C)C)C[NH+]([C@H](C2)C(C)C)C N12[C@@H](CC34C5([C@@H]1NC6=CC=CC=C56)CC7N([C@H]3NC8=CC=CC=C48)C[C@@H]([NH+](C7)C)C(C)C)C[NH+]([C@H](C2)C(C)C)C is major microspecies at pH 7.3. It is also related to or classified as secondary ammonium ion  . It is also related to or classified as tertiary ammonium ion  . It is also related to or classified as piperazines .
The molecule O1[C@@H]([C@H]([C@@H]([C@H](C1OC(C=2C(=CC=CC2)O)=O)O)O)O)CO O1[C@@H]([C@H]([C@@H]([C@H](C1OC(C=2C(=CC=CC2)O)=O)O)O)O)CO is A benzoate ester resulting from the formal condensation of the carboxy group of salicylic acid with the anomeric hydroxy group of D-glucose. It has the role of plant metabolite . Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as D-glucoside  . It is also related to or classified as benzoate ester , O-acyl carbohydrate .
The molecule C/C=C(/CO)\\C1=C(C(=CC(=O)O1)OC)CO is a member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a (2Z)-1-hydroxybut-2-en-2-yl group at position 6, a hydroxymethyl group at position 5 and a methoxy group at position 4. It has been isolated from the solid-fermentation culture of Chaetomium globosum and has been shown to exhibit antibacterial activity. It has a role as a Chaetomium metabolite and an antibacterial agent. It is a member of 2-pyranones and a diol.
The molecule C(C(C)C)(=O)N[C@@H](CCC(N)=O)C(=O)O C(C(C)C)(=O)N[C@@H](CCC(N)=O)C(=O)O is isobutyrylglutamine. It is also related to or classified as primary carboxamide  . It is also related to or classified as secondary carboxamide  . It is also related to or classified as L-glutamine derivative .
The molecule Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@]34SS[C@H](C5=C(O)C(OC)=C(OC)C=C5)[C@H](C(N3O2)=O)N(C4=O)C Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@]34SS[C@H](C5=C(O)C(OC)=C(OC)C=C5)[C@H](C(N3O2)=O)N(C4=O)C is N-methylpretrichodermamide B. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule O1C2=C(C(OC)=CC(OCC=C(C)C)=C2OC)C(=O)C(OC)=C1C3=CC(OC)=C(OC)C=C3 O1C2=C(C(OC)=CC(OCC=C(C)C)=C2OC)C(=O)C(OC)=C1C3=CC(OC)=C(OC)C=C3 is 3,5,8,3',4'-Pentamethoxy-7-prenyloxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [Mg++].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O [Mg++].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O is A hydrate that is the heptahydrate form of magnesium sulfate. It has the role of laxative . It has the role of cathartic . It is also related to or classified as magnesium salt , hydrate .
The molecule [O-]S([O-])(=O)=O.CN\C(NCc1ccccc1)=[NH+]/C.CN\C(NCc1ccccc1)=[NH+]/C [O-]S([O-])(=O)=O.CN\C(NCc1ccccc1)=[NH+]/C.CN\C(NCc1ccccc1)=[NH+]/C is bethanidine sulfate. It has the role of antihypertensive agent . Its functional parent is bethanidine . It is also related to or classified as alkylammonium sulfate .
The molecule O([C@@H]1[C@@H](O)[C@@H](O)[C@H](OC1O)CO)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO O([C@@H]1[C@@H](O)[C@@H](O)[C@H](OC1O)CO)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO is A disaccharide consisting of beta-D-galactopyranose and D-galactopyranose joined in sequence by a (1->2) glycosidic bond. Its functional parent is beta-D-galactose . Its functional parent is D-galactopyranose . It is also related to or classified as glycoside  .
The molecule OC(C1=CC=CC=C1)=CC(=O)C(OC)=O OC(C1=CC=CC=C1)=CC(=O)C(OC)=O is methyl 4-hydroxy-2-oxo-4-phenyl-3-butenoate. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule O=C1OC(=CC2=C1C3(OC(C)=CC3=O)C(C4=CC(O)=C(O)C=C4)O2)/C=C/C5=CC(OC)=C(O)C=C5 O=C1OC(=CC2=C1C3(OC(C)=CC3=O)C(C4=CC(O)=C(O)C=C4)O2)/C=C/C5=CC(OC)=C(O)C=C5 is Methylinoscavin A. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C=1C=CC=C(C1NC(C)=O)OS([O-])(=O)=O C=1C=CC=C(C1NC(C)=O)OS([O-])(=O)=O is A phenyl sulfate oxoanion that is the conjugate base of 2-acetamidophenol sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is also related to or classified as phenyl sulfate oxoanion  .
The molecule C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O is a uronic acid that is beta-D-glucuronic acid in which the hydroxy group at position 4 and the hydrogen at position 5 have been eliminated with the introduction of a double bond between positions 4 and 5. It is a uronic acid and an alpha,beta-unsaturated monocarboxylic acid.
The molecule CC1(C)[C@@H](C(Br)C(Br)(Br)Br)[C@H]1C(O)=O CC1(C)[C@@H](C(Br)C(Br)(Br)Br)[C@H]1C(O)=O is (1R)-cis-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylic acid. Its functional parent is cyclopropanecarboxylic acid . It is also related to or classified as organobromine compound  .
The molecule B1SBSBS1 B1SBSBS1 is borthiin. It is also related to or classified as inorganic heterocyclic compound , inorganic aromatic compound .
The molecule [H]C(CCCCCC)=C([H])CCCCCCCCCC(O)=O [H]C(CCCCCC)=C([H])CCCCCCCCCC(O)=O is an octadecenoic acid having a double bond at position 11; and which can occur in cis- or trans- configurations. It is a conjugate acid of vaccenate(1-) . It is also related to or classified as octadecenoic acid , straight-chain fatty acid .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C is 4-(dimethylamino)-N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C([O-])=O)O)OS(=O)(=O)[O-])O)O)C.[Na+].[Na+] O([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C([O-])=O)O)OS(=O)(=O)[O-])O)O)C.[Na+].[Na+] is an organic sodium salt that is the disodium salt of beta-D-GlcA3S-(1->3)-beta-D-Gal-OMe. It is also related to or classified as organic sodium salt .
The molecule C[C@@H]1[C@@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)SC[C@@H](C(=O)O)NC(=O)C)O is l-Cysteine substituted at nitrogen by an acetyl group and at sulfur by a substituted-lactam carbonyl group. It is a lactam and a S-substituted L-cysteine.
The molecule O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC=CC6C5C[C@@H]4CC3)C)(CC[C@@H]2O[C@@H]1C(O)(CO)C)C O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC=CC6C5C[C@@H]4CC3)C)(CC[C@@H]2O[C@@H]1C(O)(CO)C)C is (2R,4bS,6aS,12bS,12cR,14aS)-2'-hydroxypaxilline. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C=1C=CC=C(C1NC(C)=O)OS(O)(=O)=O C=1C=CC=C(C1NC(C)=O)OS(O)(=O)=O is an aromatic amide that is 2-aminophenol in which one of the amino hydrogens has been replaced by an acetyl group and the phenolic hydrogen replaced by a sulfo group. Its functional parent is 2-aminophenol . It is a conjugate acid of 2-acetamidophenol sulfate(1-) . It is also related to or classified as acetamides , aryl sulfate , aromatic amide .
The molecule CC(C)(C(CC1=C(C=CC(=C1)N)C(=O)OC)O)O is a benzoate ester that is methyl 4-aminobenzoate substituted by a 2,3-dihydroxy-3-methylbutyl group at position 2. It is isolated from the wood-decayed fungus Xylaria sp.BCC9653 and exhibits potent cytotoxicity against African green monkey kidney fibroblast (Vero) cells. It has a role as a metabolite. It is an aromatic amine, a primary amino compound, a benzoate ester, a tertiary alcohol, a secondary alcohol and a diol.
The molecule [H][C@@]12CC[C@@]3(C)[C@@]([H])([C@H](O)C[C@@]4([H])\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)[C@@]1(C)CC[C@@H](O)[C@H]2C [H][C@@]12CC[C@@]3(C)[C@@]([H])([C@H](O)C[C@@]4([H])\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)[C@@]1(C)CC[C@@H](O)[C@H]2C is A steroid antibiotic that is isolated from the fermentation broth of Fusidium coccineum. It has the role of protein synthesis inhibitor . It has the role of Escherichia coli metabolite . It has the role of EC 2.7.1.33 (pantothenate kinase) inhibitor . It is a conjugate acid of fusidate .   It is also related to or classified as sterol ester  . It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as 11alpha-hydroxy steroid , steroid antibiotic , steroid acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule [H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@]2([H])[C@]4(CC[C@H](OC)[C@@]32C1N(CC)C4)COC [H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@]2([H])[C@]4(CC[C@H](OC)[C@@]32C1N(CC)C4)COC is A diterpenoid that is aconitane bearing an N-ethyl as well as several hydroxy and methoxy substituents. It is also related to or classified as diterpenoid  .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](N)C1O)CO[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](N)C1O)CO[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CO is an amino disaccharide consisting of 2-amino-2-deoxy-alpha-D-glucopyranose and 2-amino-2-deoxy-D-glucopyranose residues joined in sequence by a (1->6) glycosidic bond. Its functional parent is alpha-D-glucosamine . Its functional parent is 2-amino-2-deoxy-D-glucopyranose . It is also related to or classified as amino disaccharide , primary amino compound .
The molecule O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C(C=CC2OC)C=3OC=4C(C(=O)C3OC)=C(O)C(OC)=C(OC)C4)CO O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C(C=CC2OC)C=3OC=4C(C(=O)C3OC)=C(O)C(OC)=C(OC)C4)CO is Casticin 3'-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C([O-])=O)O)OS(=O)(=O)[O-])O)O)C O([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C([O-])=O)O)OS(=O)(=O)[O-])O)O)C is the carbohydrate acid derivative anion formed from beta-D-GlcA3S-(1->3)-beta-D-Gal-OMe by loss of two protons, one from each of its sulfo and carboxy groups. It is also related to or classified as organosulfate oxoanion  . It is also related to or classified as carbohydrate acid derivative anion .
The molecule O=C1C(C=2C(=O)C=C(O)C=3C2C=C4OC(C)=C(C(=C4C3O)O)C)=C5C(=C(O)C6=C(O)C(C)=C(OC6=C5)C)C(=C1)O O=C1C(C=2C(=O)C=C(O)C=3C2C=C4OC(C)=C(C(=C4C3O)O)C)=C5C(=C(O)C6=C(O)C(C)=C(OC6=C5)C)C(=C1)O is Ustilaginoidin K. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1COCC[NH2+]1 C1COCC[NH2+]1 is A secondary ammonium ion that is the conjugate acid of morpholine resulting from the protonation of the NH group. Major microspecies at pH 7.3. It is a conjugate acid of morpholine . It is also related to or classified as secondary ammonium ion  .
The molecule O=C(O)C(NC(CC1=CNC2=CC=CC=C12)=O)C(C)C O=C(O)C(NC(CC1=CNC2=CC=CC=C12)=O)C(C)C is an indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of valine. It has the role of plant metabolite . Its functional parent is indole-3-acetic acid . It is also related to or classified as valine derivative , indoleacetic acid amide conjugate .
The molecule C[NH2+]C[C@@H](C1=CC(=CC=C1)O)O is an organic cation obtained by protonation of the secondary amino function of phenylephrine. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a phenylephrine.
The molecule O([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)OS(=O)(=O)O)O)O)C O([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)OS(=O)(=O)O)O)O)C is A beta-D-galactoside that is the methyl glycoside of a disaccharide consisting of a 3-O-sulfo-beta-D-glucuronic acid residue linked (1->3) to beta-D-galactose. It is a conjugate acid of beta-D-GlcA3S-(1->3)-beta-D-Gal-OMe(2-) . It is also related to or classified as beta-D-galactoside  . It is also related to or classified as disaccharide derivative .
The molecule O=C1C=2C(C(=O)C3=C1C=C(CCC)C=C3)=CC4=C(OC)C=CC=C4C2 O=C1C=2C(C(=O)C3=C1C=C(CCC)C=C3)=CC4=C(OC)C=CC=C4C2 is 1-methoxy-9-propyltetracene-6,11-dione. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCC#N)CNC4=O is an organic heterohexacyclic compound and an indolocarbazole. It has a role as an EC 2.7.11.13 (protein kinase C) inhibitor.
The molecule [Na+].[H][C@]12C[C@@H](O)[C@]([H])(\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C1=C(O2)C(CCCC([O-])=O)=CC=C1 [Na+].[H][C@]12C[C@@H](O)[C@]([H])(\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C1=C(O2)C(CCCC([O-])=O)=CC=C1 is the organic sodium salt of beraprost. It is used in the treatment of chronic arterial occlusive disease and primary pulmonary hypertension in Japan. It has the role of vasodilator agent . It has the role of antihypertensive agent . It has the role of platelet aggregation inhibitor . It has the role of prostaglandin receptor agonist . It has the role of anti-inflammatory agent . It is also related to or classified as organic sodium salt .
The molecule OC1=CC=CC(CC(=O)C([O-])=O)=C1 OC1=CC=CC(CC(=O)C([O-])=O)=C1 is A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-hydroxyphenylpyruvic acid resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3. Its functional parent is pyruvate . It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 is N-[[(3S,9S,10S)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-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-9-yl]methyl]-N-methylbenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(=O)CCC#C/C=C\C=C\CCCCCCCCCC#CCCC OC(=O)CCC#C/C=C\C=C\CCCCCCCCCC#CCCC is 6Z,8E-tricosdien-4,19-diynoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule [Ru-4]1(C#[O+])(Cl)(C#[O+])(C#[O+])OC(=O)C[NH2+]1 [Ru-4]1(C#[O+])(Cl)(C#[O+])(C#[O+])OC(=O)C[NH2+]1 is A ruthenium coordination entity that acts as a water-soluble carbon monoxide-releasing molecule. It has the role of mitochondrial respiratory-chain inhibitor . It has the role of antibacterial agent . It has the role of anticoagulant . It has the role of neuroprotective agent . It has the role of anti-inflammatory agent . It has the role of nephroprotective agent . It has the role of EC 1.11.2.2 (myeloperoxidase) inhibitor . It is also related to or classified as ruthenium coordination entity , metal carbonyl .
The molecule OCc1ccc(C(O)=O)c(O)c1 OCc1ccc(C(O)=O)c(O)c1 is A monohydroxybenzoic acid consisting of salicylic acid having a hydroxymethyl group at the 4-position. Its functional parent is salicylic acid . It is also related to or classified as monohydroxybenzoic acid .
The molecule [H]S[H] [H]S[H] is A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen. It has the role of metabolite . It has the role of toxin . It has the role of vasodilator agent . It has the role of genotoxin . It has the role of signalling molecule . It has the role of Escherichia coli metabolite . It is a conjugate acid of hydrosulfide .  It is also related to or classified as hydracid  . It is also related to or classified as gas molecular entity , sulfur hydride , mononuclear parent hydride .
The molecule OP(=O)(O)[Se] is a phosphoric acid derivative in which one of the OH groups of phosphoric acid is replaced by SeH.
The molecule B1OBOBO1 B1OBOBO1 is boroxin. It is also related to or classified as boron molecular entity , inorganic heterocyclic compound , inorganic aromatic compound .
The molecule O=C(OCC)/C=C/C=C/C=C/C=C/C=C/C=C/CCCCCCCCC O=C(OCC)/C=C/C=C/C=C/C=C/C=C/C=C/CCCCCCCCC is Docosahexaenoic acid ethyl ester. It is also related to or classified as fatty acid ester  .
The molecule O([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C([O-])=O)O)OS(=O)(=O)[O-])O)O)C=3C=CC(=CC3)CCNC(CCCS)=O.[Na+].[Na+] O([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C([O-])=O)O)OS(=O)(=O)[O-])O)O)C=3C=CC(=CC3)CCNC(CCCS)=O.[Na+].[Na+] is an organic sodium salt that is the disodium salt of beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH. It is also related to or classified as organic sodium salt .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@@H](C)CO)C)CN(C)C C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@@H](C)CO)C)CN(C)C is N-[(3S,9S,10R)-9-[(dimethylamino)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]-4-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H]C(=O)c1ccc(CO)cc1O [H]C(=O)c1ccc(CO)cc1O is A member of the class of benzaldehydes that is salicylaldehyde in which the hydrogen meta- to the phenolic hydroxy group is substituted by a hydroxymethyl group. Its functional parent is salicylaldehyde .  It is also related to or classified as phenols  . It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as benzaldehydes .
The molecule O(C1CCCCC1)C(=O)CCCCCCC O(C1CCCCC1)C(=O)CCCCCCC is Heptyl cyclohexane carboxylic acid. It is also related to or classified as fatty acid ester  .
The molecule C=1C=NC=C(C1)OS([O-])(=O)=O C=1C=NC=C(C1)OS([O-])(=O)=O is an organosulfate oxoanion that is the conjugate base of 3-hydroxypyridine sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is also related to or classified as aryl sulfate oxoanion  .
The molecule CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=CC(=C(C=C5N3)OC)O)C(=O)OC is an indole alkaloid that is tabersonine substituted by hydroxy group at position 10 and a methoxy group at position 11. Isolated from Tabernaemontana corymbosa and Hazunta modesta, it exhibits cytotoxicity against human KB cells. It has a role as a metabolite and an antineoplastic agent. It is an indole alkaloid, an alkaloid ester, a member of phenols, an aromatic ether, a methyl ester and an organic heteropentacyclic compound. It derives from a tabersonine.
The molecule [C@H]1(C(C=C2[C@](C1)([C@@]3([C@@](CC2)([C@]4([C@](CC3)([C@H](CC4)O)C)[H])[H])[H])C)=O)O [C@H]1(C(C=C2[C@](C1)([C@@]3([C@@](CC2)([C@]4([C@](CC3)([C@H](CC4)O)C)[H])[H])[H])C)=O)O is an androstanoid that is testosterone carrying an additional hydroxy substituent at the 2beta-position. It has the role of human metabolite . It has the role of rat metabolite . It is also related to or classified as 2-hydroxytestosterone  . It is also related to or classified as secondary alpha-hydroxy ketone  .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)S(=O)(=O)C C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)S(=O)(=O)C is 4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule N1[C@@H](CC=2C=3C(NC2)=CC=CC3)C[NH+]([C@H](C1)C(C)C)C N1[C@@H](CC=2C=3C(NC2)=CC=CC3)C[NH+]([C@H](C1)C(C)C)C is major microspecies at pH 7.3. It is also related to or classified as tertiary ammonium ion  . It is also related to or classified as piperazines .