mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>O[C@H]1[C@@H](O)[C@H](O[C@@H]1COP(O)(O)=O)OP(O)(O)=O</smiles> is A D-ribose 1,5-diphosphate in which the anomeric centre has alpha-configuration. It is a conjugate acid of alpha-D-ribose 1,5-bisphosphate(4-). It is also related to or classified as D-ribose 1,5-bisphosphate .
The molecule <smiles>C(C(C(=O)[O-])Br)C(=O)[O-]</smiles> is a dicarboxylic acid dianion obtained by deprotonation of the two carboxy goups of bromosuccinic acid. It derives from a succinate(2-). It is a conjugate base of a bromosuccinic acid.
The molecule <smiles>[H][C@]1(O[C@@H](O[C@]2([H])[C@@H](CO)O[C@@H](Oc3c(O)cc(O)cc3CO)[C@H](O)[C@H]2OC(=O)\C=C\C=C\CC(O)\C=C\C=C\CCCCC)[C@H](O)[C@H]1O)[C@H](O)COC(=O)\C=C\C=C/CCC(O)CC</smiles> is A carbohydrate-containing antibiotic isolated from the fermentation broth of Trichothecium sp. It exhibits marked antifungal activity against the Candida species. It has the role of metabolite. It has the role of antifungal agent. Its functional parent is all-trans-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid. Its functional parent is (2E,4Z)-8-hydroxydeca-2,4-dienoic acid.   It is also related to or classified as glycoside . It is also related to or classified as carboxylic ester .  It is also related to or classified as secondary alcohol . It is also related to or classified as benzyl alcohols, carbohydrate-containing antibiotic, resorcinols, disaccharide derivative.
The molecule <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O</smiles> is A GDP-D-glucose having alpha-configuration at the anomeric centre. It is a conjugate acid of GDP-alpha-D-glucose(2-). It is also related to or classified as GDP-D-glucose .
The molecule <smiles>CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O</smiles> is A branched amino nonasaccharide comprised of a linear trisaccharide chain of a beta-D-glucose residue and two N-acetyl-beta-D-glucosamine residues, all connected by beta-linkages, to the mannose residue of which are (1->3)- and (1->6)-linked two trisaccharide branches each comprised of a beta-D-galactose residue, an N-acetyl-beta-D-glucosamine residue and an alpha-D-mannose residue, these connected sequentially by (1->3) and (1->2) linkages, together with an alpha-L-fucose residue (1->6)-linked. It has the role of epitope. It is also related to or classified as glucosamine oligosaccharide, amino nonasaccharide.
The molecule <smiles>N#Cc1cnccn1</smiles> is cyanopyrazine. It is also related to or classified as nitrile . It is also related to or classified as pyrazines.
The molecule <smiles>CNC1=CC=CC=C1C(=O)OC</smiles> is a methyl ester resulting from the formal condensation of the carboxy group of N-methylanthranilic acid with methanol. It has a role as a fungal metabolite, a plant metabolite and an animal metabolite. It is a benzoate ester, a methyl ester, a secondary amino compound and a substituted aniline. It derives from a N-methylanthranilic acid.
The molecule <smiles>C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]3C(=O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)NS(=O)(=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O)COS(=O)(=O)O)C(=O)O</smiles> is a heparin tetrasaccharide consisting of 4-deoxy-2-O-sulfo-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranosyl, 2-O-sulfo-L-idopyranuronosyl and 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose joined in sequence by alpha-(1->4) linkages. Sequence: DUAp2S(1-4)-a-D-GlcNpS6S (1-4)-a-L-IdoAp2S(1-4)-a-D-GlcNpS6S. It is a heparin tetrasaccharide, an amino tetrasaccharide and an oligosaccharide sulfate.
The molecule <smiles>COC1=C(O)c2c(O)cc(C)c3c(O)cc(O)c(C1=O)c23</smiles> is an organic tricyclic compound that is 1H-phenalen-1-one which is substituted by hydroxy groups at positions 3,4,7, and 9, by a methoxy group at position 2, and by a methyl group at position 6. It is a collagenase inhibitor produced by Aspergillus niger. It has the role of EC 3.4.24.3 (microbial collagenase) inhibitor. It has the role of Aspergillus metabolite. It is also related to or classified as phenols . It is also related to or classified as enone . It is also related to or classified as organic tricyclic compound.
The molecule <smiles>C[Se+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12</smiles> is A selenomethionine consisting of L-selenomethionine having an adenosyl group attached to the selenium. It has the role of mouse metabolite. It is also related to or classified as adenosines, organic cation, selenomethionines.
The molecule <smiles>C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)\C=C(C)\[C@@H](O)[C@@H](O)\C=C/C2=O)[C@H](O)C1=C</smiles> is A cytochalasan alkaloid found in Chaetomium globosum. It has the role of Chaetomium metabolite.  It is also related to or classified as macrocycle . It is also related to or classified as indoles, cytochalasan alkaloid.
The molecule <smiles>C12=NNN=C1N=C(NC2=O)N</smiles> is a triazolopyrimidine that consists of 3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine bearing amino and oxo substituents at positions 5 and 7 respectively. It has a role as an antimetabolite, an antineoplastic agent and an EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor. It is a member of triazolopyrimidines and a nucleobase analogue.
The molecule <smiles>C\C=C\c1c(O)c(O)cc2OC(=O)[C@](C)(NC(=O)\C=C\C(O)=O)c12</smiles> is A member of the class of 1-benzofurans that is 1-benzofuran-2(3H)-one substituted by a propenyl group at position 4, hydroxy groups at positions 5 and 6, methyl group at position 3 and a [(2E)-3-carboxyprop-2-enoyl]nitrilo group at position 3. Isolated from the fermentation broth of Aspergillus fumisynnematus F746, it exhibits antibacterial activity. It has the role of antibacterial agent. It has the role of EC 3.5.1.88 (peptide deformylase) inhibitor. It has the role of Aspergillus metabolite.    It is also related to or classified as gamma-lactone . It is also related to or classified as monocarboxylic acid, polyphenol, dicarboxylic acid monoamide, 1-benzofurans.
The molecule <smiles>OC[C@H]1O[C@@H](Oc2ccccc2\C=C/C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A beta-D-glucoside consisting of cis-2-coumaric acid having a beta-D-glucosyl residue attached to the phenolic hydroxy group. Its functional parent is cis-2-coumaric acid. It is a conjugate acid of 2-(beta-D-glucosyloxy)-cis-cinnamate. It is also related to or classified as beta-D-glucoside .
The molecule <smiles>C/C(=C/C(=O)[H])/CO</smiles> is an enal that is 3-methylbut-2-enal carrying a hydroxy substituent at position 4 (the Z-geoisomer. It is also related to or classified as primary allylic alcohol . It is also related to or classified as enal .
The molecule <smiles>C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)[C@@H]3[C@@H](CC2=O)C(=O)C(O)=C3C)[C@H](O)C1=C</smiles> is A  cytochalasan alkaloid found in Chaetomium globosum. It has the role of Chaetomium metabolite.  It is also related to or classified as macrocycle . It is also related to or classified as indoles, cytochalasan alkaloid.
The molecule <smiles>C1=CC(=C(C(=C1CNNC(=O)C(CO)[NH3+])O)O)O</smiles> is an ammonium ion resulting from the protonation of the primary amino group of benserazide. It is a conjugate acid of a benserazide.
The molecule <smiles>COc1ccc2c3O[C@](C)(CC\C=C(/C)Cc4cc(C)co4)[C@@H](C)c3c(=O)oc2c1</smiles> is A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a methoxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl moiety at position 2. Isolated from the roots of Ferula fukanensis and Ferula ferulioides, it exhibits inhibitory activity against production of nitric oxide (NO). It has the role of metabolite. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is also related to or classified as furanocoumarin, furans, sesquiterpenoid, aromatic ether.
The molecule <smiles>CCCCCCCc1cc(O)c2ccccc2n1</smiles> is A monohydroxyquinoline that is 4-hydroxyquinoline bearing an additional heptyl substituent at position 2. It has the role of metabolite. It has the role of antibacterial agent. It has the role of iron chelator. It has the role of signalling molecule. It is also related to or classified as monohydroxyquinoline.
The molecule <smiles>C(C/C=C\C[C@@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](C/C=C\CC)O)O)O)C(O)=O</smiles> is A member of the class of resolvins that is (4Z,8E,10Z,12E,14E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 7, 16 and 17 (the 7S,16R,17S-stereoisomer). It has the role of estrogen receptor agonist. It has the role of anti-inflammatory agent. It has the role of anti-obesity agent. It has the role of human xenobiotic metabolite. It has the role of rat metabolite. It is a conjugate acid of resolvin D2(1-).  It is also related to or classified as secondary allylic alcohol . It is also related to or classified as resolvin, hydroxy polyunsaturated fatty acid, triol.
The molecule <smiles>C[C@H]1C\C=C\[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)CCC(=O)C(=O)\C(C)=C\1</smiles> is A cytochalasan alkaloid found in Chaetomium globosum. It has the role of antineoplastic agent. It has the role of Chaetomium metabolite.  It is also related to or classified as macrocycle . It is also related to or classified as indoles, cytochalasan alkaloid.
The molecule <smiles>C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C=O)C)C)C)C</smiles> is a pentacyclic triterpenoid with formula C30H48O2, originally isolated from the leaves of Syzygium formosanum. It has a role as a plant metabolite and an antibacterial agent. It is a pentacyclic triterpenoid, a cyclic terpene ketone and an aliphatic aldehyde. It derives from a hydride of a friedelane.
The molecule <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)OP(=O)(O)OCCN)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)O)C(=O)O)OC[C@@H]6[C@H]([C@@H]([C@H]([C@H](O6)OP(=O)(O)OP(=O)(O)OCCN)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC</smiles> is a lipid A derivative that consists of a linear tetrasaccharide phosphate comprising an N-acetyl-alpha-D-glucosamine residue,an L-glycero-alpha-D-manno-heptose residue phosphoethanolamine-substituted on O-3, another L-glycero-alpha-D-manno-heptose residue and a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) in a (1->2), (1->3), (1->5) sequence, with the Kdo residue at the reducing end connected via an alpha(2->6) linkage to a de-O-acylated lipid A. Corresponds to the de-O-acylated lipid A conjugate of the icsB mutant of the core oligosaccharide of Neisseria meningitidis. It is a member of lipid As and a dodecanoate ester.
The molecule <smiles>C[C@H]1c2c(O[C@]1(C)CC\C=C(/C)CC(=O)C=C(C)C)c1ccc(O)cc1oc2=O</smiles> is A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-3(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis and Ferula ferulioides, it exhibits inhibitory activity against production of nitric oxide (NO). It has the role of metabolite. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is also related to or classified as ketone .   It is also related to or classified as phenols . It is also related to or classified as furanocoumarin, sesquiterpenoid.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC2OC(CO)C(O)C(O)C2OS([O-])(=O)=O)C1OC(=O)CCCCCCCCCCCCCCC</smiles> is an organosulfate oxoanion that is the conjugate base of 2',3'-dipalmitoyl-2-sulfo-alpha,alpha-trehalose arising from deprotonation of the sulfate OH group; major species at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)\C=C(C)\[C@@H](O)C(=O)\C=C\C2=O)[C@H](O)C1=C</smiles> is A cytochalasan alkaloid found in Chaetomium globosum and Chaetomium brasiliense. It has the role of antineoplastic agent. It has the role of Chaetomium metabolite. It is also related to or classified as secondary alpha-hydroxy ketone .  It is also related to or classified as macrocycle . It is also related to or classified as indoles, cytochalasan alkaloid.
The molecule <smiles>C1=CC(=C(C=C1O)C(=O)CCN)NC=O</smiles> is a hydroxykynurenamine that is 5-hydroxykynurenamine with the hydrogen on the aryl amine replaced by a formyl group. It has a role as a metabolite and a mouse metabolite. It derives from a 5-hydroxykynurenamine.
The molecule <smiles>CC(=O)/C=C\\C(=O)O</smiles> is a 4-oxo monocarboxylic acid that is (Z)-pent-2-enoic acid in which the 4-position has been oxidised to the corresponding ketone. It derives from a pent-2-enoic acid.
The molecule <smiles>CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N</smiles> is a secondary amino compound that is ammonia in which nitrogen is substituted by a 1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl group and a 2-(2-ethoxyphenoxy)ethyl group. It is a secondary amino compound, a sulfonamide and an aromatic ether.
The molecule <smiles>C[C@@H]1c2c(O[C@]1(C)CC\C=C(/C)CC(=O)C=C(C)C)c1ccc(O)cc1oc2=O</smiles> is A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-3(E)-7-nonadien-6-onyl moiety at position 2. Isolated from the roots of  Ferula fukanensis, it exhibits inhibitory effect on the production of nitric oxide (NO). It has the role of metabolite. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is also related to or classified as ketone .   It is also related to or classified as phenols . It is also related to or classified as furanocoumarin, sesquiterpenoid.
The molecule <smiles>CCCCCCCCCCCCCC(=O)OCC(COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCC</smiles> is A phosphatidate(2-) obtained by deprotonation of both phosphate OH groups of 1,2-dimyristoylphosphatidic acid; major species at pH 7.3. It is also related to or classified as phosphatidate(2-) .
The molecule <smiles>C[C@@H](O)[C@H](C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)[C@@H]([C@H]3C2=CO1)C(=O)O[C@H](C)[C@H]4C</smiles> is an azaphilone isolated from Chaetomium globosum and has been shown to exhibit inhibitory activity against the brine shrimp (Artemia salina) and Mucor miehei. It has the role of Chaetomium metabolite. It is also related to or classified as delta-lactone . 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 organochlorine compound .   It is also related to or classified as enone . It is also related to or classified as organic heterotetracyclic compound, azaphilone.
The molecule <smiles>C/C=C(\\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1([C@H]([C@]4([C@@H]3O[C@H]5C4=C(C(=O)C5)C)C)CC(=O)OC)C)C)OC(=O)C</smiles> is a limonoid that is salannin in which the furanyl group at position 17 is replaced by an oxo group. Isolated from Azadirachta indica, it exhibits anti-inflammatory activity. It has a role as an anti-inflammatory agent. It is a limonoid, an organic heteropentacyclic compound, an acetate ester, a cyclic terpene ketone, an enone and a methyl ester. It derives from a tiglic acid and a salannin.
The molecule <smiles>CC(C)[C@]1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)[O-])C.CC(C)[NH3+]</smiles> is an organoammonium salt resulting from the formal reaction of the carboxy group of (S)-imazapyr with isopropylamine. It contains an isopropylaminium and a (S)-imazapyr(1-). It is an enantiomer of a (R)-imazapyr-isopropylammonium.
The molecule <smiles>COc1ccc2c3O[C@](C)(CC\C=C(/C)Cc4cc(C)co4)[C@H](C)c3c(=O)oc2c1</smiles> is A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by methoxy group at position 7, methyl group at positions 2 and 3 (relatively trans configuration) and a 4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). It has the role of metabolite. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is also related to or classified as furanocoumarin, furans, sesquiterpenoid, aromatic ether.
The molecule <smiles>CC\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12</smiles> is A monounsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (Z)-hex-3-enoyl-CoA; major species at pH 7.3. It is also related to or classified as monounsaturated fatty acyl-CoA(4-) . It is also related to or classified as medium-chain fatty acyl-CoA(4-) .
The molecule <smiles>COc1c(O)c2OC(=O)c3c(C)c(Cl)c(O)c(C=O)c3Oc2c(C)c1C(=O)C=C(C)C</smiles> is A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a chloro group at position 2,  hydroxy groups at positions 3 and 9, a methoxy group at position 8, methyl groups at positions 1 and 6, a 3-methylbut-2-enoyl group at position 7, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense, it exhibits antimalarial and cytotoxic activities. It has the role of antineoplastic agent. It has the role of antimalarial. It has the role of Chaetomium metabolite. It is also related to or classified as aldehyde .    It is also related to or classified as organochlorine compound . It is also related to or classified as enone . It is also related to or classified as polyphenol, organic heterotricyclic compound, aromatic ether, depsidones, aromatic ketone.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC</smiles> is a phosphatidylcholine 36:0 in which both phosphatidyl acyl groups are specified as stearoyl (octadecanoyl). It derives from an octadecanoic acid.
The molecule <smiles>COc1ccc2c3O[C@H](C)[C@](C)(CC\C=C(/C)Cc4cc(C)co4)c3c(=O)oc2c1</smiles> is A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a methoxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl moiety at position 3. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). It has the role of metabolite. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is also related to or classified as furanocoumarin, furans, sesquiterpenoid, aromatic ether.
The molecule <smiles>[H]C(C([O-])=O)=C(C)\C=C\C1(O)C(C)=CC(=O)CC1(C)C</smiles> is A monocarboxylic acid anion obtained by removal of a proton from the carboxy group of any member of the class of abscisic acids. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>C1C2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C1N5)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O</smiles> is a uroporphyrinogen. It has a role as a mouse metabolite and a human metabolite. It is a conjugate acid of a uroporphyrinogen I(8-).
The molecule <smiles>COc1c(O)c2OC(=O)c3c(C)cc(O)c(C=O)c3Oc2c(C)c1C(=O)C=C(C)C</smiles> is A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 8, methyl groups at positions 1 and 6, a 3-methylbut-2-enoyl group at position 7, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense, it exhibits antimalarial and cytotoxic activities. It has the role of antineoplastic agent. It has the role of antimalarial. It has the role of Chaetomium metabolite. 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 polyphenol, organic heterotricyclic compound, aromatic ether, depsidones, aromatic ketone.
The molecule <smiles>C(C/C=C\C[C@@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](C/C=C\CC)O)O)O)C([O-])=O</smiles> is A polyunsaturated fatty acid anion that is the conjugate base of resolvin D2, obtained by deprotonation of the carboxy group; major species at pH 7.3.    It is also related to or classified as long-chain fatty acid anion . It is also related to or classified as docosanoid anion, hydroxy fatty acid anion, polyunsaturated fatty acid anion.
The molecule <smiles>C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)O)C)[C@@H]1CC(CC2)(C)C)C</smiles> is a pentacyclic triterpenoid that is olean-12-ene in which the hydrogens at the 3beta and 6beta positions have been replaced by hydroxy groups. Found in the seeds of the downy thorn-apple, Datura innoxia. It has a role as a plant metabolite. It is a pentacyclic triterpenoid and a diol. It derives from a hydride of an oleanane.
The molecule <smiles>COc1ccc2c3O[C@@H](C)[C@](C)(CC\C=C(/C)Cc4cc(C)co4)c3c(=O)oc2c1</smiles> is A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a methoxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl moiety at position 3. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). It has the role of metabolite. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is also related to or classified as furanocoumarin, furans, sesquiterpenoid, aromatic ether.
The molecule <smiles>CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C)CC)C</smiles> is a member of the class of mesoporphyrins obtained by formal hydrogenation of the two vinyl groups in protoporphyrin.
The molecule <smiles>Cc1cc(O)c(C=O)c2Oc3cc4OC(C)(C)CC(=O)c4c(C)c3OC(=O)c12</smiles> is A member of the class of depsidones that is 3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepine substituted by a hydroxy group at position 10, methyl groups at positions 2, 2, 5 and 8, a formyl group at position 11 and oxo groups at positions 4 and 7. Isolated from Chaetomium brasiliense it exhibits antimalarial and cytotoxic activities. It has the role of antineoplastic agent. It has the role of antimalarial. It has the role of Chaetomium metabolite. It is also related to or classified as aldehyde . It is also related to or classified as phenols . It is also related to or classified as organic heterotetracyclic compound, depsidones.
The molecule <smiles>CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)OC)OC)COC</smiles> is a diterpene alkaloid with formula C25H41NO6 that is isolated from several Aconitum species. It has a role as an antifeedant and a plant metabolite. It is a bridged compound, a diterpene alkaloid, an organic heteropolycyclic compound, a polyether, a secondary alcohol, a tertiary alcohol, a tertiary amino compound and a diol. It derives from a hydride of an aconitane.