anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O[C@H]1C[C@H](N=C(C1)C(O)=O)C(O)=O O[C@H]1C[C@H](N=C(C1)C(O)=O)C(O)=O is the dicarboxylic acid that is 2,3,4,5-tetrahydrodipicolinic acid hydroxylated at C-4 and with configuration 2S,4S. Its functional parent is dipicolinic acid . It is a conjugate acid of (2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinate(2-) . It is also related to or classified as dicarboxylic acid .
The molecule CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1cc(O)cc(O)c1 CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1cc(O)cc(O)c1 is A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 3' and 5' and a geranyl group at position 8. Isolated from Macaranga bicolor, it exhibits inhibitory activity against breast cancer resistance protein. It has the role of metabolite . It has the role of breast cancer resistance protein inhibitor . Its functional parent is (2S)-flavanone . It is also related to or classified as tetrahydroxyflavanone , 3'-hydroxyflavanones .
The molecule CC/C=C\\C[C@@H](/C=C/C=C\\C/C=C\\C=C\\C=C\\[C@H]([C@H](CCC(=O)O)O)O)O is a member of the class of resolvins that is (6E,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 5 and 17 (the 4S,5R,17S-stereoisomer). It has a role as an anti-inflammatory agent and a human xenobiotic metabolite. It is a resolvin, a secondary allylic alcohol, a triol and a hydroxy polyunsaturated fatty acid.
The molecule CC1=CC(=CC(=C1S(=O)C)C)OC(=O)NC is a carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfinyl)phenol with the carboxy group of methylcarbamic acid. It is a metabolite of the pesticide methiocarb. It has a role as a marine xenobiotic metabolite. It is a sulfoxide and a carbamate ester.
The molecule [H]C(=NNC(N)=N)c1ccc(cc1)C([H])=NNC(N)=N [H]C(=NNC(N)=N)c1ccc(cc1)C([H])=NNC(N)=N is A guanidine derivative comprised of two carbamimidamido (guanidino) groups, each linked via one of their amino nitrogens to the imino nitrogens of 1,4-phenylenedimethanimine. It is also related to or classified as guanidines .
The molecule C[N+]1([O-])CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O C[N+]1([O-])CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O is Morphine N-oxide. It is also related to or classified as tertiary amine oxide  . It is also related to or classified as morphinane alkaloid .
The molecule [C@@]123C4[C@@]([C@]5(C[C@@H]([C@]6(C[C@@]1([C@@]5([C@H]6O)[H])[H])[H])OC)O)(C[C@@]2([C@](CC[C@@H]3O)(COC)CN4CC)[H])[H] [C@@]123C4[C@@]([C@]5(C[C@@H]([C@]6(C[C@@]1([C@@]5([C@H]6O)[H])[H])[H])OC)O)(C[C@@]2([C@](CC[C@@H]3O)(COC)CN4CC)[H])[H] is A diterpene alkaloid that is aconitane bearing hydroxy groups at the 1alpha, 8, and 14alpha positions and substituted at on the nitrogen and at positions 4 and 16beta by ethyl, methoxymethyl, and methoxy groups, respectively. It has the role of plant metabolite .  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 diterpene alkaloid , triol , bridged compound , organic heteropolycyclic compound , diether , tertiary amino compound .
The molecule C1=CC=C(C(=C1)C[C@H](C(=O)O)N)O is a 2-hydroxyphenylalanine that has D-configuration. It has a role as a human metabolite. It is an enantiomer of a L-o-tyrosine.
The molecule CCOC(=O)C1(CC1)CC=C is a member of the class of cyclopropanes that is ethyl cyclopropanecarboxylate substituted by a prop-2-en-1-yl group at position 1. It has a role as a metabolite. It is a carboxylic ester and a member of cyclopropanes.
The molecule Cl.Cl.[H]C(=NN=C(N)N)c1ccc(cc1)C([H])=NN=C(N)N Cl.Cl.[H]C(=NN=C(N)N)c1ccc(cc1)C([H])=NN=C(N)N is the hydrochloride salt of N,N'-(p-xylylidene)bis(aminoguanidine) [ratio HCl : N,N'-(p-xylylidene)bis(aminoguanidine) = 2:1]. It is also related to or classified as hydrochloride .
The molecule [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCC\C=C/CCCCCC)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCC\C=C/CCCCCC)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C is lanosteryl palmitoleate. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as lanosteryl ester  .
The molecule CC(C)=CCc1c(O)c(CC=C(C)C)c2O[C@@H](CC(=O)c2c1O)c1cc(O)cc(O)c1 CC(C)=CCc1c(O)c(CC=C(C)C)c2O[C@@H](CC(=O)c2c1O)c1cc(O)cc(O)c1 is A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7,  3' and 5' and prenyl groups at positions 6 and 8 respectively. It has been isolated from natural product found in Macaranga conifera. It has the role of plant metabolite . Its functional parent is (2S)-flavanone . It is also related to or classified as tetrahydroxyflavanone .
The molecule O1[C@](CC2=C1C=CC3=C2OC(=O)C=C3)([H])C(OC(=O)C)(C)C O1[C@](CC2=C1C=CC3=C2OC(=O)C=C3)([H])C(OC(=O)C)(C)C is an acetate ester obtained by formal acetylation of the tertiary hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. It has the role of plant metabolite .  It is also related to or classified as acetate ester  . It is also related to or classified as furanocoumarin .
The molecule CC(C=C)(C=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N is a glutathione derivative in which the thiol hydrogen of glutathione is replaced by a 2-methyl-1-oxobut-3-en-2-yl group. It is a conjugate acid of a S-(2-methyl-1-oxobut-3-en-2-yl)glutathione(1-).
The molecule CCCC(C)CCC CCCC(C)CCC is A branched C8 alkane, comprising heptane with a methyl group attached at C-4. It has been found in Amaranth seeds. It has the role of plant metabolite . It is also related to or classified as alkane  .
The molecule COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O1 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O1 is A trihydroxyflavanone that is hesperetin substituted by a prenyl group at position 8. Isolated from Macaranga conifera, it exhibits inhibitory activity against breast cancer resistance protein. It has the role of metabolite . It has the role of breast cancer resistance protein inhibitor . Its functional parent is hesperetin . It is also related to or classified as 4'-methoxyflavanones  . It is also related to or classified as monomethoxyflavanone , trihydroxyflavanone , 3'-hydroxyflavanones .
The molecule CC(=O)CO is a propanone that is acetone in which one of the methyl hydrogens is replaced by a hydroxy group. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a member of propanones, a methyl ketone, a primary alcohol and a primary alpha-hydroxy ketone. It derives from an acetone.
The molecule [H]C(=O)\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/C1=C(C)CCCC1(C)C [H]C(=O)\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/C1=C(C)CCCC1(C)C is an enal that is the 9-cis-isomer of 10'-apo-beta-carotenal. It is also related to or classified as enal  . It is also related to or classified as apo carotenoid .
The molecule CCCCCCCCCCCC\C=C\[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CC\C=C(/C)CCCCCCCCCCC CCCCCCCCCCCC\C=C\[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CC\C=C(/C)CCCCCCCCCCC is A glucosylceramide found in Penicillium commune. It has the role of Penicillium metabolite . It is also related to or classified as beta-D-glucosylceramide  . It is also related to or classified as beta-D-glucoside  .
The molecule OC(=O)[C@@H](NC(=O)C1=C(O)C(O)=CC=C1)CCCCNC(=O)C2=C(O)C(O)=CC=C2 OC(=O)[C@@H](NC(=O)C1=C(O)C(O)=CC=C1)CCCCNC(=O)C2=C(O)C(O)=CC=C2 is N2,N6-bis(2,3-Dihydroxybenzoyl)-L-lysine. Its functional parent is N-benzoylglycine . It is also related to or classified as N-acylglycine  .
The molecule [Na+].[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCC([O-])=O)NC(=O)[C@H](CC1=CNC2=C1C=CC=N2)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CC([O-])=O)N(C)C(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC([O-])=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(C)(C)C)C1CCCCC1)C([O-])=O)C([O-])=O [Na+].[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCC([O-])=O)NC(=O)[C@H](CC1=CNC2=C1C=CC=N2)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CC([O-])=O)N(C)C(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC([O-])=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(C)(C)C)C1CCCCC1)C([O-])=O)C([O-])=O is an organic sodium salt that is the tetrasodium salt of zilucoplan. It is a complement component 5 inhibitor approved for the treatment of generalized myasthenia gravis in adult patients who are anti-acetylcholine receptor antibody positive. It has the role of complement component 5 inhibitor . It has the role of immunosuppressive agent . It is also related to or classified as organic sodium salt .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O[C@H]4[C@@H]([C@H](O[C@H]([C@@H]4O)OC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)OC[C@@H]6[C@H]([C@@H]([C@H](C(O6)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)CO)O)O)O)O)O)O)O)O)O)O)O is a glucooligosaccharide consisting of five beta-D-glucosyl residues and a D-glucosyl resicuejoined in sequence by (1->6), (1->6), (1->3), (1->6), and (1->6) glycosidic bonds in which the hydroxy group at position 3 of the terminal residue (bearing the anomeric hydroxy group) has been glycosylated by a beta-D-glucosyl group. It is a glucooligosaccharide, a heptasaccharide and a beta-D-glucoside.
The molecule CC(\C=C\C=O)=C/C=C/O CC(\C=C\C=O)=C/C=C/O is A hydroxyaldehyde in which the hydroxy group is at C-7 of (2E,4E,6E)-4-methylhepta-2,4,6-trienal. It is also related to or classified as hydroxyaldehyde  . It is also related to or classified as enal  .
The molecule CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C is A 3-oxo Delta(7)-steroid that is (22E)-ergosta-7,22-diene substituted by oxo groups at positions 3 and 6. It has been isolated from Penicillium commune. It has the role of Penicillium metabolite . It is also related to or classified as 6-oxo steroid , ergostanoid , 3-oxo Delta(7)-steroid .
The molecule O(C(=O)C1(C(C1)C=C)C(OCC2=CC=CC=C2)=O)CC3=CC=CC=C3 O(C(=O)C1(C(C1)C=C)C(OCC2=CC=CC=C2)=O)CC3=CC=CC=C3 is Dibenzyl 2-vinyl-1,1-cyclopropanedicarboxylate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\\C/C=C\\C/C=C\\CCCCC is a phosphatidylcholine 38:3 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (8Z,11Z,14Z)-eicosatrienoyl respectively. It derives from an octadecanoic acid and an all-cis-icosa-8,11,14-trienoic acid.
The molecule CC(C)C(C(=O)O)O is a valine derivative that is valine in which the amino group has been replaced by a hydroxy group. It has a role as a human metabolite. It derives from an isovaleric acid. It is a conjugate acid of a 2-hydroxy-3-methylbutyrate.
The molecule CC(/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C CC(/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C is A carotenoid having the structure of beta-carotene but with a cis double bond at the 9,10-position. It has the role of biological pigment . It is also related to or classified as carotenoid  .
The molecule CCCC1=CC2=C(CO1)C(=O)[C@](C)(O)[C@@H](C2)OC(=O)c1c(C)cc(O)c(O)c1OC CCCC1=CC2=C(CO1)C(=O)[C@](C)(O)[C@@H](C2)OC(=O)c1c(C)cc(O)c(O)c1OC is an azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group and a methyl group at position 7, an oxo group at position 8, a propyl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 6. Isolated from Penicillium commune, it exhibits antibacterial and antineoplastic activities. It has the role of antineoplastic agent . It has the role of Penicillium metabolite . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as catechols  .     It is also related to or classified as tertiary alcohol  . It is also related to or classified as aromatic ether , benzoate ester , isochromenes , azaphilone .
The molecule CN1C(=CC=NC1=O)N is a pyrimidone that is cytosine in which the hydrogen attached to the nitrogen at position 3 is substituted by a methyl group. It has a role as a metabolite. It is a pyrimidone, an aminopyrimidine and a methylcytosine. It derives from a cytosine.
The molecule COC(=O)C1=CC=CC(O)=C1 COC(=O)C1=CC=CC(O)=C1 is A benzoate ester resulting from the formal condensation of the carboxy group of 3-hydroxybenzoic acid with methanol. It has the role of antibacterial agent . Its functional parent is 3-hydroxybenzoic acid . It is also related to or classified as methyl ester  . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O is a quercetin O-glucoside that is quercetin attached to a beta-D-sophorotriosyl residue at position 3 via a glycosidic linkage. It has a role as a plant metabolite and a hepatoprotective agent. It is a quercetin O-glucoside, a tetrahydroxyflavone and a trisaccharide derivative.
The molecule CCCCCCCCCCCCCCC[C@@H](O)CN CCCCCCCCCCCCCCC[C@@H](O)CN is A bioactive sphingoid which is the 1-deoxymethyl derivative of sphinganine. Its functional parent is sphinganine .  It is also related to or classified as sphingoid  . It is also related to or classified as amino alcohol .
The molecule COc1c(O)c(O)cc(C)c1C(=O)O[C@@H]1CC2=C(COC(\C=C\C)=C2)C(=O)[C@]1(C)O COc1c(O)c(O)cc(C)c1C(=O)O[C@@H]1CC2=C(COC(\C=C\C)=C2)C(=O)[C@]1(C)O is an azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group and a methyl group at position 7, an oxo group at position 8, a prop-1-en-1-yl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 6. Isolated from Penicillium commune, it exhibits antibacterial and antineoplastic activities. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of Penicillium metabolite . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as catechols  .     It is also related to or classified as tertiary alcohol  . It is also related to or classified as aromatic ether , benzoate ester , isochromenes , azaphilone .
The molecule CCCC(=O)C is a pentanone carrying an oxo substituent at position 2. It has a role as a plant metabolite. It is a methyl ketone and a pentanone.
The molecule C1CNC(=O)/C(=N/O)/CC2=CC(=C(C(=C2)Br)O)OC3=C(C=C(C/C(=N\\O)/C(=O)NCCC4=C(C(=C(C=C4)OC5=C(C=CC1=C5)Br)O)Br)C=C3Br)Br is a macrocyclic lactam isolated from the marine sponge Ianthella and has been shown to exhibit calcium channel modulatory activity. It has a role as a metabolite and a calcium channel modulator. It is a cyclic ether, a ketoxime, a lactam, a macrocycle, an organobromine compound and a polyphenol.
The molecule CCCCCCCCCCCCCCCC(=O)CN CCCCCCCCCCCCCCCC(=O)CN is A sphingoid which is the 1-deoxymethylated derivative of 3-dehydrosphinganine. Its functional parent is 3-dehydrosphinganine . It is also related to or classified as sphingoid  .
The molecule C\C=C\C1=CC2=C(CO1)C(=O)[C@](C)(O)[C@@H](C2)OC(=O)c1c(C)cc(O)cc1O C\C=C\C1=CC2=C(CO1)C(=O)[C@](C)(O)[C@@H](C2)OC(=O)c1c(C)cc(O)cc1O is an azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy and methyl group at position 7, an oxo group at position 8, a prop-1-en-1-yl group at position 3 and a (2,4-dihydroxy-6-methylbenzoyl)oxy group at position 6.Isolated from Penicillium commune, it exhibits antibacterial and antineoplastic activities. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of Penicillium metabolite . Its functional parent is o-orsellinic acid . It is also related to or classified as tertiary alpha-hydroxy ketone  .     It is also related to or classified as tertiary alcohol  . It is also related to or classified as resorcinols , benzoate ester , isochromenes , azaphilone .
The molecule CNCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O CNCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O is A nucleotide-(amino alcohol) that is the N-methyl derivative of CDP-ethanolamine. Its functional parent is CDP-ethanolamine . It is a conjugate acid of CDP-N-methylethanolamine(1-) . It is also related to or classified as nucleotide-(amino alcohol)s , phosphoethanolamine .
The molecule C([C@@H](C(=O)NCC(=O)O)N)C(=O)N is a dipeptide composed of L-asparagine and glycine joined by a peptide linkage. It has a role as a metabolite. It derives from a L-asparagine and a glycine.
The molecule [H][C@@]1(CSC(=N1)c1ccccc1O)[C@]1([H])SC[C@H](N1C)C(O)=O [H][C@@]1(CSC(=N1)c1ccccc1O)[C@]1([H])SC[C@H](N1C)C(O)=O is A pyochelin that has S-stereochemistry at the thioaminal centre; the diastereoisomer with R-stereochemistry at this centre is pyochelin I. Pseudomonas aeruginosa produces a mixture of pyochelin I (major) and pyochelin I (minor) via condensation of salicylic acid and two molecules of cysteine. The enantiomeric compounds, enant-pyochelin I and II, are produced by Pseudomonas fluorescens. It is also related to or classified as pyochelin  .
The molecule COc1c(O)c(O)cc(C)c1C(=O)O[C@]1(C)[C@H](O)CC2=C(COC(\C=C\C)=C2)C1=O COc1c(O)c(O)cc(C)c1C(=O)O[C@]1(C)[C@H](O)CC2=C(COC(\C=C\C)=C2)C1=O is an azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group at position 6, a methyl group at position 7, an oxo group at position 8, a prop-1-en-1-yl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 7. Isolated from Penicillium commune, it exhibits antibacterial activity. It has the role of antibacterial agent . It has the role of Penicillium metabolite . It is also related to or classified as catechols  . It is also related to or classified as aromatic ether , benzoate ester , isochromenes , azaphilone .
The molecule CCCCC\C=C/C\C=C/CCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O CCCCC\C=C/C\C=C/CCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O is A cyclic hexapeptide echinocandin antibiotic isolated from Aspergillus nidulans var. echinulatus with specific anti-yeast activity. It has the role of antiinfective agent . It is also related to or classified as echinocandin .
The molecule C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)[O-])I)I)I)C(=O)[O-])I is a dicarboxylic acid anion that is the conjugate base of adipiodone arising from deprotonation of the two carboxy groups; major species at pH 7.3. It is a conjugate base of an adipiodone.
The molecule [H][C@@]1(CSC(=N1)c1ccccc1O)[C@@]1([H])SC[C@H](N1C)C(O)=O [H][C@@]1(CSC(=N1)c1ccccc1O)[C@@]1([H])SC[C@H](N1C)C(O)=O is A pyochelin that has R-stereochemistry at the thioaminal centre; the diastereoisomer with S-stereochemistry at this centre is pyochelin II. Pseudomonas aeruginosa produces a mixture of pyochelin I (major) and pyochelin II (minor) via condensation of salicylic acid and two molecules of cysteine. The enantiomeric compounds, enant-pyochelin I and II, are produced by Pseudomonas fluorescens. It is also related to or classified as pyochelin  .
The molecule CCCC1=CC2=C(CO1)C(=O)[C@](C)(OC(=O)c1c(C)cc(O)c(O)c1OC)[C@H](O)C2 CCCC1=CC2=C(CO1)C(=O)[C@](C)(OC(=O)c1c(C)cc(O)c(O)c1OC)[C@H](O)C2 is an azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group at position 6, a methyl group at position 7, an oxo group at position 8, a propyl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 7. It has been isolated from Penicillium commune. It has the role of Penicillium metabolite . It is also related to or classified as catechols  . It is also related to or classified as aromatic ether , benzoate ester , isochromenes , azaphilone .
The molecule CC(C)(C)N(C=C1C=CC(=O)C=C1)O is a nitrone that is the N-oxido derivative of 4-[(tert-butylimino)methyl]phenol. It has a role as a radical scavenger, an antineoplastic agent and a mammalian metabolite. It is a nitrone and a member of phenols.
The molecule CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)[C@@H](C3=CC=CC=C3)N)(C)C is a penicillanic acid ester that is the 1-ethoxycarbonyloxyethyl ester of ampicillin. It is a semi-synthetic, microbiologically inactive prodrug of ampicillin. It has a role as a prodrug. It derives from an ampicillin.
The molecule C[C@H](CC[C@H]1[C@](C)(O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C)C1=CCC(C)=CC1 C[C@H](CC[C@H]1[C@](C)(O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C)C1=CCC(C)=CC1 is A pentacyclic sesquarterpene isolated from Bacillus subtilis and formed by cyclisation of (R)-tetraprenyl-beta-curcumene (CHEBI:64801). It is also related to or classified as sesquarterpenoid .
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)CC[C@@H](C2)OC(=O)CCCCCCC\C=C/CCCCCCCC [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@@H](C2)OC(=O)CCCCCCC\C=C/CCCCCCCC is zymosteryl oleate. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as zymosterol ester  .
The molecule CCCC1=CC2=C(CO1)C(=O)[C@](C)(OC(=O)c1c(C)cc(O)cc1OC)[C@H](O)C2 CCCC1=CC2=C(CO1)C(=O)[C@](C)(OC(=O)c1c(C)cc(O)cc1OC)[C@H](O)C2 is an  azaphilone  that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group at position 6, a methyl group at position 7, an oxo group at position 8, a propyl group at position 3 and a (4-hydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 7. It has been isolated from Penicillium commune. It has the role of Penicillium metabolite . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , benzoate ester , isochromenes , azaphilone .
The molecule [H]C(=O)C(\C)=C(/O)\C=C(/O)C(O)=O [H]C(=O)C(\C)=C(/O)\C=C(/O)C(O)=O is A 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid in which both double bonds adopt a cis-configuration. It is a conjugate acid of cis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate . It is also related to or classified as 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid  .
The molecule C1CC(CCC1C(=O)[O-])O is the conjugate base of trans-4-hydroxycyclohexanecarboxylic acid; major species at pH 7.3. It derives from a cyclohexanecarboxylate. It is a conjugate base of a trans-4-hydroxycyclohexanecarboxylic acid.
The molecule [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC1=CC3=CC[C@H](C[C@]33CC[C@]21O3)N(C)C)[C@H](C)CCC1CCN(C)CC1C [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC1=CC3=CC[C@H](C[C@]33CC[C@]21O3)N(C)C)[C@H](C)CCC1CCN(C)CC1C is A member of the class of cortistatins that is substituted by a dimethylamino group at the 3alpha position and a (2R)-4-(1,3-dimethylpiperidin-4-yl)butan-2-yl group at the 17 position, with double bonds at the 1-10 and 9-19 positions (the 3R,5R,17beta enantiomer). It is also related to or classified as cortistatins .