anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC=C(C)C)[C@@]1(C)CCC(=O)C2C([O-])=O [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC=C(C)C)[C@@]1(C)CCC(=O)C2C([O-])=O is A steroid acid anion that is the conjugate base of 3-dehydro-4-carboxyzymosterol, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as steroid acid anion .
The molecule O(C=1C(OC)=CC=CC1O)C O(C=1C(OC)=CC=CC1O)C is 2,3-dimethoxyphenol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C1=CC(=C(C=C1CC[NH3+])O)O is an ammonium ion that is the conjugate acid of dopamine; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate acid of a dopamine.
The molecule O1C(C=CC2=C1C=3C(N(C2=O)COC(=O)C)=CC=CC3)(C)C O1C(C=CC2=C1C=3C(N(C2=O)COC(=O)C)=CC=CC3)(C)C is N-Acetoxymethylflindersine. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2C[C@H](O[C@H](C2)C)C is a member of the class of morpholines that is cis-2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a racemic 2-methyl-3-[p-(2-methylbutan-2-yl)phenyl]propyl group. An inhibitor of the action of squalene monooxygenase, Delta(14) reductase and D7-D8 isomerase and an antifungal agent, it is used (generally as its hydrochloride salt) for the topical treatment of fungal nail and skin infections. It has a role as an EC 1.14.13.132 (squalene monooxygenase) inhibitor, an EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor and an EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor. It is a tertiary amino compound and a morpholine antifungal drug. It is a conjugate acid of an amorolfine(1+).
The molecule COc1cc2CC[N+](C)=Cc2cc1O COc1cc2CC[N+](C)=Cc2cc1O is Pycnarrhine. It has the role of metabolite . It is also related to or classified as hydroxyquinoline .
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O is an amino disaccharide consisting of N-acetylgalactosamine having an alpha-D-galactosyl residue at the 4-position. It is also related to or classified as amino disaccharide .
The molecule CCCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)COP(O)(O)=O CCCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)COP(O)(O)=O is A phosphosphingolipid that is C20 phytosphingosine bearing a phospho group at position 1. Its functional parent is C20 phytosphingosine . It is a conjugate acid of C20 phytosphingosine 1-phosphate(1-) . It is also related to or classified as sphingoid 1-phosphate  .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCC(=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 an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (10Z,13Z,16Z,19Z)-docosatetraenoic acid. It is a long-chain fatty acyl-CoA and an unsaturated fatty acyl-CoA. It is a conjugate acid of a (10Z,13Z,16Z,19Z)-docosatetraenoyl-CoA(4-).
The molecule C[C@H]([NH3+])C[C@H]([NH3+])CC([O-])=O C[C@H]([NH3+])C[C@H]([NH3+])CC([O-])=O is conjugate acid of (3S,5S)-3,5-diaminohexanoic acid. It is a conjugate acid of (3S,5S)-3,5-diaminohexanoic acid . It is also related to or classified as amino-acid cation .
The molecule C[C@H](N)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 C[C@H](N)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 is A 3-aminobutyryl-CoA having that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of L-3-aminobutanoic acid. It is a conjugate acid of L-3-aminobutanoyl-CoA(3-) . It is also related to or classified as 3-aminobutyryl-CoA  .
The molecule CCCCCCCCCCCC/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O is a nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a pentadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety. It has a role as an antimicrobial agent.
The molecule COc1cc(O)cc(c1)-c1ccccc1 COc1cc(O)cc(c1)-c1ccccc1 is 3-hydroxy-5-methoxybiphenyl. It has the role of metabolite . It is also related to or classified as biphenyls .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](O)C(O)O[C@H](CO)[C@@H]1O CC(=O)N[C@@H]1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](O)C(O)O[C@H](CO)[C@@H]1O is an amino trisaccharide comprising an N-acetyl beta-D-galactosaminyl residue flanked by two D-galactopyranose residues (one at the reducing end). It has the role of epitope . It is also related to or classified as galactosamine oligosaccharide , amino trisaccharide .
The molecule CCCCC/C=C\\C/C=C\\CC1C(O1)C/C=C\\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 8,9-epoxy-(5Z,11Z,14Z)-icosatrienoic acid. It is a long-chain fatty acyl-CoA and an unsaturated fatty acyl-CoA. It derives from an 8,9-EET. It is a conjugate acid of an 8,9-epoxy-(5Z,11Z,14Z)-icosatrienoyl-CoA(4-).
The molecule C[C@H](CCC[C@@H](C)C(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C is a steroid acid anion that is the conjugate base of (25R)-Delta(7)-dafachronic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (25R)-Delta(7)-dafachronic acid.
The molecule CCCCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O CCCCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O is the phosphosphingolipid that is the phosphate ester of C20 sphinganine. Its functional parent is C20 sphinganine . It is a conjugate acid of C20 sphinganine 1-phosphate(1-) . It is also related to or classified as sphingoid 1-phosphate  .
The molecule C\C=C1C(C)C(=O)NC\1=C/C1=N/C(=C\c2[nH]c(CC3NC(=O)C(C=C)=C3C)c(C)c2CCC([O-])=O)/C(CCC([O-])=O)=C1C C\C=C1C(C)C(=O)NC\1=C/C1=N/C(=C\c2[nH]c(CC3NC(=O)C(C=C)=C3C)c(C)c2CCC([O-])=O)/C(CCC([O-])=O)=C1C is dicarboxylate anion of (3Z)-phycocyanobilin. It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as linear tetrapyrrole anion .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2OC)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O)O)O is an amino trisaccharide consisting of alpha-L-fucopyranosyl, 2-O-methyl-beta-D-galactopyranosyl and 2-acetamidoD-glucopyranosyl residues linked in sequence by (1->3) and (1->4) glycosidic bonds. It is a member of acetamides and an amino trisaccharide.
The molecule O(C=1C(OC)=C(O)C=CC1O)C O(C=1C(OC)=C(O)C=CC1O)C is 2,3-dimethoxybenzene-1,4-diol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule COc1cc(O)cc(c1)-c1ccccc1O COc1cc(O)cc(c1)-c1ccccc1O is 2',3-dihydroxy-5-methoxybiphenyl. It has the role of metabolite . It is also related to or classified as hydroxybiphenyls  .
The molecule [H][C@@]1(O)C[C@]2([H])O[C@]3([H])[C@@H](C)[C@H](C)[C@@]4(C[C@H](O)CO4)O[C@@]3([H])[C@@H](O)[C@H](C)[C@@]2([H])O[C@@]1([H])CC(C)=O [H][C@@]1(O)C[C@]2([H])O[C@]3([H])[C@@H](C)[C@H](C)[C@@]4(C[C@H](O)CO4)O[C@@]3([H])[C@@H](O)[C@H](C)[C@@]2([H])O[C@@]1([H])CC(C)=O is A polycyclic ether comprising a central oxepine ring flanked by two fused tetrahydropyran rings together with a spiro-fused tetrahydrofuran ring. Corresponds to the JKLM ring fragment and epitope of ciguatoxin. It has the role of epitope . It is also related to or classified as polycyclic ether .
The molecule CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O is A dihydroceramide in which the ceramide acyl group is specified as acetyl. It is also related to or classified as N-acylsphinganine  .
The molecule CC(=O)NCCCS(=O)(=O)O is an organosulfonic acid that is propane-1-sulfonic acid substituted by an acetylamino group at position 3. It has a role as a neurotransmitter agent, an environmental contaminant and a xenobiotic. It is an organosulfonic acid and a member of acetamides.
The molecule O=[Zr].Cl.Cl is a zirconium coordination entity consisting of zirconium(IV) bound to oxygen via a double bond and to two chlorines.
The molecule O(C1=CC(O)=C(C(O)=C1)C)C O(C1=CC(O)=C(C(O)=C1)C)C is 5-methoxy-2-methylbenzene-1,3-diol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC is a phosphatidylcholine 42:6 in which the acyl groups specified at positions 1 and 2 are eicosanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It derives from an icosanoic acid and an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid.
The molecule COc1cc(O)cc(c1)-c1ccccc1OC COc1cc(O)cc(c1)-c1ccccc1OC is 3-hydroxy-2',5-dimethoxybiphenyl. It has the role of metabolite . It is also related to or classified as biphenyls .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O is A 6-O-acyl-D-glucose where the acyl group is 3-hydroxy-2-tetradecyldotriacontanoyl. Its functional parent is D-glucopyranose . It is also related to or classified as 6-O-acyl-D-glucose .
The molecule CCCCCCCCCCCCCCCCCC(O)C(N)CO CCCCCCCCCCCCCCCCCC(O)C(N)CO is an aminodiol that is icosane bearing two hydroxy substituents at positions 1 and 3 as well as an amino substituent at position 2. Its functional parent is icosane .  It is also related to or classified as sphingoid  . It is also related to or classified as aminodiol .
The molecule [Ga] is a metallic element predicted as eka-aluminium by Mendeleev in 1870 and discovered by Paul-Emile Lecoq de Boisbaudran in 1875. Named in honour of France (Latin Gallia) and perhaps also from the Latin gallus cock, a translation of Lecoq.
The molecule C1=CN=C(N1)CC(=O)O is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-2-yl group. It has a role as a metabolite. It is a member of imidazoles and a monocarboxylic acid. It derives from an acetic acid.
The molecule C1(=CNC2=C1C=CC=C2)C[C@@H](C(=O)O)NC C1(=CNC2=C1C=CC=C2)C[C@@H](C(=O)O)NC is A N-methyl-L-alpha-amino acid  that is the N(alpha)-methyl derivative of L-tryptophan. It has the role of Escherichia coli metabolite . It is also related to or classified as N-methyl-L-alpha-amino acid , L-tryptophan derivative .
The molecule [H]C(Cl)=CC(O)(CC)C#C [H]C(Cl)=CC(O)(CC)C#C is propargyl alcohol in which the methylene hydrogens are substituted by ethyl and 2-chlorovinyl groups. A hypnotic and sedative, it is used for treatment of insomnia in some cases where an intolerance or allergy to more commonly used drugs exists. It has the role of sedative . It is also related to or classified as tertiary alcohol  . It is also related to or classified as organochlorine compound  .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as enyne .
The molecule COc1cccc2c1oc1c(OC)c(OC)c3OCOc3c21 COc1cccc2c1oc1c(OC)c(OC)c3OCOc3c21 is 1,2-Methylenedioxy-3,4,6-trimethoxydibenzofuran. It has the role of metabolite . It is also related to or classified as dibenzofurans .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(O)=O CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(O)=O is A forty-six membered mycolic acid consisting of 3-hydroxydotriacontanoic acid having a tetradecyl group at the 2-position.  It is also related to or classified as 3-hydroxy fatty acid  . It is also related to or classified as mycolic acid .
The molecule Oc1ccc2=C3C=CC(=O)C4=C(O)C=CC(C34)C3=c2c1C(=O)C=C3 Oc1ccc2=C3C=CC(=O)C4=C(O)C=CC(C34)C3=c2c1C(=O)C=C3 is A perylene that consists of dihydroxyperylene-3,9-dione bering hydroxy groups at positions 4 and 10. It is also related to or classified as diketone  . It is also related to or classified as perylenes .
The molecule CC(=CCC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)C is a trihydroxyflavanone having a structure of naringenin prenylated at C-6. It is a trihydroxyflavanone, a member of 4'-hydroxyflavanones and a (2S)-flavan-4-one. It derives from a (S)-naringenin.
The molecule [Na+].CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C([O-])=O)c1I [Na+].CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C([O-])=O)c1I is the sodium salt of a benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, often as a mixture with the meglumine salt, as an X-ray contrast medium in gastrointestinal studies, angiography, and urography. It has the role of radioopaque medium . It is also related to or classified as organoiodine compound  . It is also related to or classified as organic sodium salt .
The molecule CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=N5)[O-])C(=O)OCC6=C(OC(=O)O6)C is an organic anion obtained by deprotonation of the oxadiazolone ring of azilsartan medoxomil. It is a conjugate base of an azilsartan medoxomil.
The molecule CC(=O)CC1=CC2=CC(=CC(=C2C(=O)O1)O)O is a member of the class of isocoumarins that is 1H-isochromen-1-one substituted by a 2-oxopropyl group at position 3 and by hydroxy groups at positions 6 and 8. It has a role as an Aspergillus metabolite. It is a hexaketide, a member of isocoumarins, a methyl ketone and a member of phenols.
The molecule COc1ccc(OC)c2c1oc1c(OC)c(OC)c(O)cc21 COc1ccc(OC)c2c1oc1c(OC)c(OC)c(O)cc21 is 2-Hydroxy-3,4,6,9-tetramethoxydibenzofuran. It has the role of metabolite . It is also related to or classified as dibenzofurans .
The molecule CC(C)(C)NC[C@H](O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 CC(C)(C)NC[C@H](O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 is an aromatic ether, being the (2S)-3-(tert-butylamino)-2-hydroxypropyl ether of the phenolic hydroxy group of (6R,7S)-5,6,7,8-tetrahydronaphthalene-1,6,7-triol. It is also related to or classified as triol , aromatic ether , secondary amino compound .
The molecule Oc1ccc(O)c(c1)C(=O)NCCCCNCCCNC(=O)c1cc(O)ccc1O Oc1ccc(O)c(c1)C(=O)NCCCCNCCCNC(=O)c1cc(O)ccc1O is A member of the class of  benzamides obtained by formal condensation of the two primary amino groups of spemidine with the carboxy groups from two molecules of 2,5-dihydroxybenzoic acid. It has the role of antibacterial agent . Its functional parent is spermidine . Its functional parent is 2,5-dihydroxybenzoic acid .  It is also related to or classified as hydroquinones  . It is also related to or classified as benzamides .
The molecule CCCCCCCCCCCCCCCCCCCCC(O)=O CCCCCCCCCCCCCCCCCCCCC(O)=O is A long-chain fatty acid that is henicosane in which one of the methyl groups has been oxidised to give the corresponding carboxylic acid. It is a conjugate acid of henicosanoate . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as straight-chain saturated fatty acid .
The molecule CC[C@H](C)/C=C(\\C)/C=C/C1=CC2=CC3=C(C(=O)O[C@]3([C@@H](C2=CO1)O)C)C(=O)C is an azaphilone that is 9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one substituted by an acetyl group at position 3, a hydroxy group at position 9, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 6 and a methyl group at position 9a. It has been isolated from Chaetomium cupreum and exhibits antifungal activity. It has a role as an antifungal agent and a Chaetomium metabolite. It is a gamma-lactone, an azaphilone, a methyl ketone and an organic heterotricyclic compound.
The molecule C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-] is a phenolate anion obtained from 2,4-dinitrophenol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has a role as a bacterial xenobiotic metabolite. It is a conjugate base of a 2,4-dinitrophenol.
The molecule CC(C)CCCC(C)CCCC(C)CCCC(C)[C@H](O)C(O)=O CC(C)CCCC(C)CCCC(C)CCCC(C)[C@H](O)C(O)=O is A 20-carbon, methyl-branched hydroxy fatty acid and intermediate in phytanic acid degradation; accumulates in patients with peroxisimal disorders. Its functional parent is hexadecanoic acid . Its functional parent is hexadecanoate . It is a conjugate acid of (2S)-2-hydroxyphytanate . It is also related to or classified as 2-hydroxy fatty acid  . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as (2S)-2-hydroxy monocarboxylic acid  . It is also related to or classified as isoprenoid  .
The molecule COc1cccc2oc3c(OC)c(OC)c(O)cc3c12 COc1cccc2oc3c(OC)c(OC)c(O)cc3c12 is 2-Hydroxy-3,4,9-trimethoxydibenzofuran. It has the role of metabolite . It is also related to or classified as dibenzofurans .
The molecule CC(C)(C)NC[C@@H](O)COc1cccc2C[C@H](O)[C@H](O)Cc12 CC(C)(C)NC[C@@H](O)COc1cccc2C[C@H](O)[C@H](O)Cc12 is an aromatic ether, being the (2R)-3-(tert-butylamino)-2-hydroxypropyl ether of the phenolic hydroxy group of (6S,7R)-5,6,7,8-tetrahydronaphthalene-1,6,7-triol. It is also related to or classified as triol , aromatic ether , secondary amino compound .
The molecule CC1=CC(=O)[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)C1(C)C CC1=CC(=O)[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)C1(C)C is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid. Its functional parent is [(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid . It is a conjugate acid of [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule C[C@@H]1C[C@@H]([C@@]2([C@H]3[C@]1(C[C@@H](O[C@@H]3CC[C@@]2(CO)O)C4=CC(=O)OC4)C)COC(=O)C)OC(=O)C is a diterpene lactone isolated from the whole plants of Ajuga ciliata. It has a role as a plant metabolite. It is a diterpene lactone, a butenolide, an organic heterotricyclic compound, a diol and an acetate ester.
The molecule S1S[C@@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H](OC)CC([C@@H]6C[C@]5(C4=O)SC)=O)C[C@H]3C(C2)=O S1S[C@@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H](OC)CC([C@@H]6C[C@]5(C4=O)SC)=O)C[C@H]3C(C2)=O is Amphiepicoccin E. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)C(=O)O)O)O)/C)/C)/C)/C)/C)/C)/C)/C)C is a dihydroxybenzoic acid that is 3,4-dihydroxybenzoic acid in which the hydrogen at position 5 is substituted by a nonaprenyl group. It is a dihydroxybenzoic acid and a member of catechols. It is a conjugate acid of a 3-nonaprenyl-4,5-dihydroxybenzoate.
The molecule COc1cccc2c1oc1c(OC)c(OC)c(O)cc21 COc1cccc2c1oc1c(OC)c(OC)c(O)cc21 is 2-Hydroxy-3,4,6-trimethoxydibenzofuran. It has the role of metabolite . It is also related to or classified as dibenzofurans .
The molecule CC(C)(C)NC[C@H](O)COc1cccc2C[C@H](O)[C@H](O)Cc12 CC(C)(C)NC[C@H](O)COc1cccc2C[C@H](O)[C@H](O)Cc12 is an aromatic ether, being the (2S)-3-(tert-butylamino)-2-hydroxypropyl ether of the phenolic hydroxy group of (6S,7R)-5,6,7,8-tetrahydronaphthalene-1,6,7-triol. It is also related to or classified as triol , aromatic ether , secondary amino compound .
The molecule CC1=C(O)C[C@@H](CC(O)=O)C1(C)C CC1=C(O)C[C@@H](CC(O)=O)C1(C)C is A 5-hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxy-2,2,3-trimethylcyclopent-3-enyl group (the S-enantiomer). Its functional parent is acetic acid . It is a conjugate acid of [(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetate . It is also related to or classified as enol  . It is also related to or classified as 5-hydroxy monocarboxylic acid .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O is a steroid glucuronide anion that is the conjugate base of 4-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a steroid glucosiduronic acid anion, a beta-D-glucosiduronate and a monocarboxylic acid anion. It is a conjugate base of a 4-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide).
The molecule C(CN)[C@@H]([C@@H](C(=O)O)N)O is an L-ornithine substituted at position 3 by a hydroxy group (the 3S-erythro-stereoisomer). It is a L-ornithine derivative and a non-proteinogenic alpha-amino acid. It is a conjugate base of a (3S)-3-hydroxy-L-ornithine(1+).
The molecule COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c2o1 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c2o1 is A  flavone C-glycoside that is acacetin substituted by an alpha-rhamnosyl-(1->2)-beta-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has been isolated from Fortunella japonica and Fortunella margarita. It has the role of plant metabolite . Its functional parent is 5,7-dihydroxy-4'-methoxyflavone . It is also related to or classified as monomethoxyflavone  . It is also related to or classified as dihydroxyflavone , disaccharide derivative , flavone C-glycoside .
The molecule CC(C)(C)NC[C@@H](O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 CC(C)(C)NC[C@@H](O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 is an aromatic ether, being the (2R)-3-(tert-butylamino)-2-hydroxypropyl ether of the phenolic hydroxy group of (6R,7S)-5,6,7,8-tetrahydronaphthalene-1,6,7-triol. It has the role of beta-adrenergic antagonist . It has the role of antihypertensive agent . It has the role of anti-arrhythmia drug . It is also related to or classified as triol , aromatic ether , secondary amino compound .
The molecule O(C1=CC(O)=C(O)C=C1)C O(C1=CC(O)=C(O)C=C1)C is 4-methoxybenzene-1,2-diol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](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](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A disaccharide phosphate that is diacetylchitobiose substituted at position 6' by a phospho group. Its functional parent is alpha-D-GlcpNAc-(1->4)-D-GlcpNAc . Its functional parent is beta-D-glucosaminyl-(1->4)-D-glucosamine . It is a conjugate acid of diacetylchitobiose-6'-phosphate(2-) . It is also related to or classified as glucosamine oligosaccharide , disaccharide phosphate .
The molecule C[C@H](C[C@H](C)O)/C=C(\\C)/C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC1=C(NC2=CC=CC=C21)Br)C(=O)N[C@H](CC(=O)OC)C3=CC=C(C=C3)O is a depsipeptide isolated from Jaspis splendens. It has a role as an antineoplastic agent, an animal metabolite and a marine metabolite. It is a depsipeptide, a member of indoles, an organobromine compound, a member of phenols and a methyl ester.
The molecule [O-][As]([O-])[O-] is an arsenite ion resulting from the removal of all three protons from the hydroxy groups of arsenous acid. It is an arsenite ion and a trivalent inorganic anion. It is a conjugate base of an arsenite(2-).
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCC)O)O is a 2-monolysocardiolipin(2-) obtained by deprotonation of the phosphate OH groups of trioleoyl 2-monolysocardiolipin; major species at pH 7.3. It is a conjugate base of a trioleoyl 2-monolysocardiolipin.