anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1[C@]2([C@]3([C@@](C4=C(C=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C(=C4)O)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H] C1[C@]2([C@]3([C@@](C4=C(C=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C(=C4)O)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H] is A steroid glucosiduronic acid that is 2-hydroxyestrone having a single beta-D-glucuronic acid residue attached at position 3. Its functional parent is 2-hydroxyestrone . It is a conjugate acid of 2-hydroxyestrone 3-O-(beta-D-glucuronide)(1-) .  It is also related to or classified as 17-oxo steroid  . It is also related to or classified as beta-D-glucosiduronic acid , steroid glucosiduronic acid , 2-hydroxy steroid .
The molecule OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O is d-Mannopyranose having alpha-configuration at the anomeric centre. It has the role of epitope . It is also related to or classified as D-mannopyranose  .
The molecule C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F is a 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid that has R configuration. It is the active enantiomer of the herbicide fluazifop and is the major metabolite of fluazifop-P-butyl. It has a role as an agrochemical, an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor and a phenoxy herbicide. It is an enantiomer of a (S)-fluazifop.
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)C C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)C is 1-[(3R,9R,10S)-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]-3-(3,5-dimethyl-4-isoxazolyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 is N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3CCCCC3 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3CCCCC3 is N-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=CC=C1C(CC(=O)[O-])[NH3+])O is zwitterionic form of 3-amino-3-(4-hydroxyphenyl)propanoic acid arising from migration of a proton fron the carboxy to the amino group; major species at pH 7.3. It has a role as a bacterial metabolite. It is a tautomer of a 3-amino-3-(4-hydroxyphenyl)propanoic acid.
The molecule CN1C2=C(C=C(S2)NC(=O)OCC3=CC=C(C=C3)F)C(=N1)C(F)(F)F CN1C2=C(C=C(S2)NC(=O)OCC3=CC=C(C=C3)F)C(=N1)C(F)(F)F is N-[1-methyl-3-(trifluoromethyl)-5-thieno[2,3-c]pyrazolyl]carbamic acid (4-fluorophenyl)methyl ester. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule [C@@H]1(C(=O)N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)C(C)O)=O)CCC(O)=O)=O)CO)=O)CC(C)C)=O)CC(C)C)=O)CCCCNC(=O)C)C(O)C [C@@H]1(C(=O)N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)C(C)O)=O)CCC(O)=O)=O)CO)=O)CC(C)C)=O)CC(C)C)=O)CCCCNC(=O)C)C(O)C is an eight-membered homodetic cyclic peptide comprising the sequence L-leucine, L-serine, L-alpha-glutamic acid, L-threonine, L-alpha-glutamic acid, L-threonine, N(6)-acetyl-L-lysine, D-leucine. It is also related to or classified as homodetic cyclic peptide .
The molecule CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H](CCCCO1)C)[C@@H](C)CO)C CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H](CCCCO1)C)[C@@H](C)CO)C is N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4NC3=O CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4NC3=O is 4-[oxo-(4-oxo-5H-thieno[3,2-c]quinolin-2-yl)methyl]-1-piperazinecarboxylic acid ethyl ester. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule O1C(CCC=2C1=CC(O)=CC2O)C3=CC=C(OC)C=C3 O1C(CCC=2C1=CC(O)=CC2O)C3=CC=C(OC)C=C3 is 5,7-Dihydroxy-4'-methoxyflavan. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O1[C@@H](CCC2=C1C=C(O)C=C2)C3=CC(OC)=C(O)C=C3 O1[C@@H](CCC2=C1C=C(O)C=C2)C3=CC(OC)=C(O)C=C3 is 7,4'-Dihydroxy-3'-methoxyflavan. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C1[C@@H]([C@H]([C@H](N1)C(=O)O)O)O is a L-proline derivative that is L-proline substituted by hydroxy groups at positions 3 and 4 (the 3S,4S diastereoisomer). It is a dihydroxyproline, a dihydroxypyrrolidine, a pyrrolidinemonocarboxylic acid, a L-proline derivative and a non-proteinogenic L-alpha-amino acid.
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)[H])[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)[H])[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)[H])C is A steroid glucosiduronic acid that is lithocholic acid having a single beta-D-glucuronic acid residue attached at position 3. It has the role of human urinary metabolite . It has the role of rat metabolite . Its functional parent is lithocholic acid . It is a conjugate acid of lithocholate 3-O-(beta-D-glucuronide)(2-) . It is also related to or classified as beta-D-glucosiduronic acid , steroid glucosiduronic acid , dicarboxylic acid .
The molecule O=c1oc2ccccc2c2oc3ccccc3c12 O=c1oc2ccccc2c2oc3ccccc3c12 is A member of the class of coumestans that is 6H-[1]benzofuro[3,2-c]chromene substituted by an oxo group at position 6. It has the role of plant metabolite . It has the role of phytoestrogen . It is also related to or classified as delta-lactone  . It is also related to or classified as coumestans  .
The molecule O1[C@@H](CCC2=C1C=C(OC)C=C2)C3=CC(O)=C(O)C=C3 O1[C@@H](CCC2=C1C=C(OC)C=C2)C3=CC(O)=C(O)C=C3 is 3',4'-Dihydroxy-7-methoxyflavan. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C(=C\\C(=O)O)\\C=C/C(=O)[O-] is a dicarboxylic acid monoanion that is the conjugate base of cis,cis-muconic acid. It has a role as a bacterial xenobiotic metabolite. It is a conjugate base of a cis,cis-muconic acid. It is a conjugate acid of a cis,cis-muconate.
The molecule C(CCCCCCCCCC)CCCCC(N[C@H](C(O)=O)O)=O C(CCCCCCCCCC)CCCCC(N[C@H](C(O)=O)O)=O is an N-acyl-(2S)-hydroxyglycine resulting from the formal condensation of hexadecanoic acid (palmitic acid) with the amino group of (2S)-hydroxyglycine. Its functional parent is hexadecanoic acid . It is a conjugate acid of N-hexadecanoyl-(2S)-hydroxyglycinate . It is also related to or classified as N-acyl-(2S)-hydroxyglycine  .
The molecule C1(N[C@](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@]1([C@@H](C)O)[H])=O)CCC(O)=O)=O)CO)CC(C)C)CC(C)C)(C(C)O)[H])=O C1(N[C@](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@]1([C@@H](C)O)[H])=O)CCC(O)=O)=O)CO)CC(C)C)CC(C)C)(C(C)O)[H])=O is A six-membered homodetic cyclic peptide comprising the sequence L-leucine, L-serine,L-alpha-glutamic acid, L-threonine, L-threonine, D-leucine. It is also related to or classified as homodetic cyclic peptide .
The molecule C=1N(C(NC(C1)=O)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H]([C@H](CO3)NC(CCC(C([O-])=O)=O)=O)O)O)(=O)[O-])(=O)[O-] C=1N(C(NC(C1)=O)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H]([C@H](CO3)NC(CCC(C([O-])=O)=O)=O)O)O)(=O)[O-])(=O)[O-] is major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)C C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)C is N-[[(3S,9R,10R)-16-(dimethylamino)-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,4-dimethylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(CCC(O)=O)C OC(CCC(O)=O)C is 4-hydroxy-valeric acid. It is a conjugate acid of 4-hydroxypentanoate . It is also related to or classified as hydroxy fatty acid .
The molecule Oc1ccc2OCCCc2c1 Oc1ccc2OCCCc2c1 is A chromanol that is chromane in which the hydrogen at position 6 is replaced by a hydroxy group.  It is also related to or classified as phenols  . It is also related to or classified as chromanol .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H]([C@@H](O[C@H]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)NC(=O)C)CO)O)NC(=O)C)C)O)O)O)O)O is a branched amino hexasaccharide composed of the linear tetrasaccharide alpha-Fuc-(1->2)-alpha-Fuc-(1->3)-beta-GalNAc-(1->4)-beta-GlcNAc having an alpha-Fuc-(1->2)-alpha-Fuc moiety attached at the 3-position of the terminal beta-GlcNAc.
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)C4CCCCC4 C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)C4CCCCC4 is N-[(3R,9R,10R)-9-[[[cyclohexyl(oxo)methyl]-methylamino]methyl]-12-[(2R)-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-pyridinecarboxamide. 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](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O O[C@H]1[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O is octaanion of 1D-myo-inositol 1,3,4,5-tetrakisphosphate arising from global deprotonation of the phosphate OH groups; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as inositol phosphate oxoanion .
The molecule CC(=C)[C@H]1C[C@@H](C(C1)(C)C)C2=C(C3=C(C=C2O)OC4=C(C3=O)C=CC(=C4OC)O)O is a member of the class of xanthones that is 9H-xanthen-9-one substituted by a 2,2-dimethyl-4-(prop-1-en-2-yl)cyclopentyl group at position 2, hydroxy groups at positions 1, 3 and 6 and a methoxy group at position 5. It is isolated from the callus of Hypericum perforatum and exhibits antioxidant and antimicrobial activities. It has a role as a radical scavenger, an antimicrobial agent and a plant metabolite. It is a member of xanthones, a polyphenol and an aromatic ether.
The molecule N([C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@@H](C(O)=O)CC(C)C)=O)C(O)C)CCC(O)=O)=O)C(O)C)CCC(O)=O)=O)CO)C([C@@H](NC(CCC(NCCCOCCOCCOCCCN)=O)=O)CC(C)C)=O N([C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@@H](C(O)=O)CC(C)C)=O)C(O)C)CCC(O)=O)=O)C(O)C)CCC(O)=O)=O)CO)C([C@@H](NC(CCC(NCCCOCCOCCOCCCN)=O)=O)CC(C)C)=O is A seven-membered oligopeptide comprising L-leucine, L-serine, L-glutamic acid, L-threonine, L-glutamic acid, L-threonine and D-leucine residues coupled in sequence, modified by insertion at the N-terminal position of the flexible and hydrophilic PEG chain 1,13-diamino-4,7,10-trioxatrideacne succinamic acid linker (Ttds). It is also related to or classified as oligopeptide  .
The molecule C=1N(C(NC(C1)=O)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H]([C@H]([C@@H](O3)C)NC(CCC(C([O-])=O)=O)=O)O)NC(C)=O)(=O)[O-])(=O)[O-] C=1N(C(NC(C1)=O)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H]([C@H]([C@@H](O3)C)NC(CCC(C([O-])=O)=O)=O)O)NC(C)=O)(=O)[O-])(=O)[O-] is major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[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)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C is 1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=O)C(=CO3)C4=CC(=C(C=C4)OC[C@H](C(C)(C)O)O)OC)C is a methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 5 and 3', a 2R,3-dihydroxy-3-methylbutoxyl group at position 4' and a dimethylpyran ring fused across positions 6 and 7. Isolated from Antheroporum pierrei, it exhibits antineoplastic activity. It has a role as a metabolite, an antineoplastic agent and a plant metabolite.
The molecule N([C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(O)=O)CC(C)C)=O)C(O)C)CCC(O)=O)=O)C(O)C)CCC(O)=O)=O)CO)C([C@@H](N)CC(C)C)=O N([C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(O)=O)CC(C)C)=O)C(O)C)CCC(O)=O)=O)C(O)C)CCC(O)=O)=O)CO)C([C@@H](N)CC(C)C)=O is A seven-membered oligopeptide comprising L-leucine, L-serine, L-glutamic acid, L-threonine, L-glutamic acid, L-threonine and L-leucine residues coupled in sequence. It is also related to or classified as oligopeptide  .
The molecule N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C([C@]6(C(=C5)[C@]([C@H](C6)O)([NH3+])C(=O)[O-])[H])C(=O)N)[C@@H]([C@@H]4O)O)(=O)[O-])(=O)[O-])[C@H]([C@H]3O)O N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C([C@]6(C(=C5)[C@]([C@H](C6)O)([NH3+])C(=O)[O-])[H])C(=O)N)[C@@H]([C@@H]4O)O)(=O)[O-])(=O)[O-])[C@H]([C@H]3O)O is major microspecies at pH 7.3. Its functional parent is (4aR,7S)-2-(adenosyl(5')diphospho(5)ribosyl)-7-amino-4-carbamoyl-4a,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-7-carboxylate(2-) . It is also related to or classified as organic anion .
The molecule C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O is d-Mannose in its six-membered ring form. It has a role as a metabolite. It is a D-aldohexose, a D-mannose and a mannopyranose.
The molecule O=c1c(coc2ccccc12)-c1ccccc1 O=c1c(coc2ccccc12)-c1ccccc1 is A simplest member of the class of isoflavones  that is 4H-chromen-4-one in which the hydrogen at position 3 is replaced by a phenyl group. It is also related to or classified as isoflavones  .
The molecule C1=C2[C@]3(CC[C@]4([C@]([C@@]3(CCC2=C(C(=C1)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)[H])(CC[C@@H]4O)[H])C)[H] C1=C2[C@]3(CC[C@]4([C@]([C@@]3(CCC2=C(C(=C1)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)[H])(CC[C@@H]4O)[H])C)[H] is A steroid glucosiduronic acid that is 4-hydroxy-17beta-estradiol having a single beta-D-glucuronic acid residue attached at position 4. Its functional parent is 4-hydroxy-17beta-estradiol . It is a conjugate acid of 4-hydroxy-17beta-estradiol 4-O-(beta-D-glucuronide)(1-) .   It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as beta-D-glucosiduronic acid , steroid glucosiduronic acid , 3-hydroxy steroid .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[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)NC(=O)NC3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C is 1-[(3R,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]-3-(4-methoxyphenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)C(=O)O C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)C(=O)O is 4-[[[(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-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-methylamino]methyl]benzoic acid. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C(OC(CO)CO)C1=CC(OC)=C(O)C(=C1)OC O=C(OC(CO)CO)C1=CC(OC)=C(O)C(=C1)OC is 4-hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-(hydroxymethyl)ethyl ester. It is also related to or classified as trihydroxybenzoic acid .
The molecule OC[C@H]1O[C@@H](Oc2cc([O-])c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc([O-])c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O is A flavonoid oxoanion that is the conjugate base of apigenin 7-O-beta-D-glucoside, obtained by deprotonation of the 7-hydroxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has the role of metabolite . It has the role of antibacterial agent . It has the role of non-steroidal anti-inflammatory drug . It is also related to or classified as flavonoid oxoanion .
The molecule CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@]24CCC[C@@]3(COC4=O)C)O is an abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has a role as a plant metabolite. It is a diterpene lactone, an abietane diterpenoid and a tetracyclic diterpenoid.
The molecule N([C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](C(O)=O)CC(C)C)=O)CCCCN)=O)C(O)C)=O)CC=1C=CC(=CC1)O)=O)C(O)C)CCC(O)=O)=O)CO)C([C@@H](N)CC(C)C)=O N([C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](C(O)=O)CC(C)C)=O)CCCCN)=O)C(O)C)=O)CC=1C=CC(=CC1)O)=O)C(O)C)CCC(O)=O)=O)CO)C([C@@H](N)CC(C)C)=O is an eight-membered oligopeptide comprising L-leucine, L-serine, L-glutamic acid, L-threonine, L-tyrosine, L-threonine, L-lysine and D-leucine residues coupled in sequence. It is also related to or classified as oligopeptide  .
The molecule COc1cc2CC[NH+](C)[C@@H](Cc3ccc(Oc4cc(C[C@H]5[NH+](C)CCc6cc(OC)c(O)cc56)ccc4O)cc3)c2cc1O COc1cc2CC[NH+](C)[C@@H](Cc3ccc(Oc4cc(C[C@H]5[NH+](C)CCc6cc(OC)c(O)cc56)ccc4O)cc3)c2cc1O is dication of berbamunine arsing from protonation of both tertiary amino groups; major species at pH 7.3. It is a conjugate acid of berbamunine . It is also related to or classified as ammonium ion derivative .
The molecule OC[C@H]1O[C@H](OP(O)(=O)OP(O)(O)=O)[C@H](O)[C@@H]1O OC[C@H]1O[C@H](OP(O)(=O)OP(O)(O)=O)[C@H](O)[C@@H]1O is alpha-D-ribose 1-diphosphate. Its functional parent is alpha-D-ribose . It is also related to or classified as D-ribose 1-diphosphate  .
The molecule C[C@@H]1CCC[C@@]23CC[C@@H](C[C@]21C)C(C)=C3 C[C@@H]1CCC[C@@]23CC[C@@H](C[C@]21C)C(C)=C3 is A sesquiterpene produced by a sesquiterpene synthase from Radula lindenbergiana. It has the role of plant metabolite . It is also related to or classified as sesquiterpene  .
The molecule C[C@@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(=O)NO[Fe](ONC(=O)\C=C\C(C)=C\[C@@H](C)C(=O)c1ccc(cc1)N(C)C)ONC(=O)\C=C\C(C)=C\[C@@H](C)C(=O)c1ccc(cc1)N(C)C C[C@@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(=O)NO[Fe](ONC(=O)\C=C\C(C)=C\[C@@H](C)C(=O)c1ccc(cc1)N(C)C)ONC(=O)\C=C\C(C)=C\[C@@H](C)C(=O)c1ccc(cc1)N(C)C is trichostatin B.  It is also related to or classified as trichostatin  . It is also related to or classified as iron coordination entity .
The molecule NS(=O)(=O)c1cc(-c2nnn[nH]2)c(NCc2cccs2)cc1Cl NS(=O)(=O)c1cc(-c2nnn[nH]2)c(NCc2cccs2)cc1Cl is A sulfonamide that is benzenesulfonamide which is substituted at positions 2, 4, and 5 by chlorine, (2-thienylmethyl)amino and 1H-tetrazol-5-yl groups, respectively. It is a diuretic that has been used in the management of oedema and hypertension. It has the role of loop diuretic .  It is also related to or classified as sulfonamide  . It is also related to or classified as thiophenes , tetrazoles , monochlorobenzenes .
The molecule O1C(CC(=O)C=2C1=CC(OC)=CC2O)C3=CC(O)=C(OC)C=C3 O1C(CC(=O)C=2C1=CC(OC)=CC2O)C3=CC(O)=C(OC)C=C3 is 3',5-Dihydroxy-4',7-dimethoxyflavanone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [NH3+][C@@H](CCC(=O)N[C@@H](CSC(C=C)(C([H])=O)C)C(=O)NCC(=O)[O-])C(=O)[O-] [NH3+][C@@H](CCC(=O)N[C@@H](CSC(C=C)(C([H])=O)C)C(=O)NCC(=O)[O-])C(=O)[O-] is an S-substituted glutathione(1-) obtained by deprotonation of the the two carboxy groups and protonation of the amino group of S-(2-formyl-2-methylbut-3-en-2-yl)-glutathione; major species at pH 7.3. It is also related to or classified as S-substituted glutathione(1-)  .
The molecule O(CC(C(COC1OC(C(O)C(O)C1O)CO)CC2=CC(OC)=C(O)C=C2)CC3=CC(OC)=C(O)C=C3)C4OC(C(O)C(O)C4O)COC(=O)CC(O)(CC(O)=O)C O(CC(C(COC1OC(C(O)C(O)C1O)CO)CC2=CC(OC)=C(O)C=C2)CC3=CC(OC)=C(O)C=C3)C4OC(C(O)C(O)C4O)COC(=O)CC(O)(CC(O)=O)C is 5-[(6-{2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule C[C@@H]1O[C@@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[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](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[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](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is an amino hexasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc in which the mannosyl group is substituted at positions 3 and 6 by alpha-D-Man residues and the GlcNAc residue at the reducing end is substituted at position 6 by an alpha-L-Fuc residue. It is also related to or classified as glucosamine oligosaccharide , amino hexasaccharide , carbohydrates and carbohydrate derivatives .
The molecule [C@@H]1([C@H]([C@H](OC(=O)[C@@H]1O)C(=O)[O-])O)O is a carbohydrate acid anion that is the conjugate base of D-galactaro-1,5-lactone, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a D-galactaro-1,5-lactone.
The molecule C[N+]1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C3N=C(N)NC4=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2 C[N+]1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C3N=C(N)NC4=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2 is A guanosine 5'-phosphate that is 7-methyl-GTP in which the hydroxy group of the terminal phosphate is substituted by a guanosinyl group. It is a cap analog that can be incorporated into mRNA. Its functional parent is 7-methyl-GTP . It is a conjugate acid of (N(7)-methyl 5'-triphospho-guanosine)-guanosine(2-) . It is also related to or classified as purine ribonucleoside 5'-triphosphate , guanosine 5'-phosphate .
The molecule C12N(C(NC(C1(C)C3(C2N(C(NC3=O)=O)[C@@H]4O[C@@H]([C@H](C4)O)CO)C)=O)=O)[C@@H]5O[C@@H]([C@H](C5)O)CO C12N(C(NC(C1(C)C3(C2N(C(NC3=O)=O)[C@@H]4O[C@@H]([C@H](C4)O)CO)C)=O)=O)[C@@H]5O[C@@H]([C@H](C5)O)CO is A nucleoside analogue obtained by formal cyclodimerisation of thymidine. It has the role of Mycoplasma genitalium metabolite . It is also related to or classified as cyclobutadipyrimidine , nucleoside analogue .