anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC is a phosphatidylcholine 32:0 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl). A synthetic phospholipid used in liposomes and lipid bilayers to study biological membranes. It is also a major constituent of pulmonary surfactants. It has a role as a surfactant and a mouse metabolite. It is a phosphatidylcholine 32:0 and a 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine. It derives from a hexadecanoic acid.
The molecule CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4(CCCCC4)O)O is a 3-hydroxyacyl-CoA having (1-hydroxycyclohexyl)acetyl as the S-acyl group. It derives from a (1-hydroxycyclohexyl)acetic acid and a coenzyme A. It is a conjugate acid of a (1-hydroxycyclohexyl)acetyl-CoA(4-).
The molecule C[C@H](CCC(C(C)CO)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C is a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid, a 24-hydroxy steroid and a 26-hydroxy steroid. It has a role as a bile acid metabolite. It derives from a hydride of a 5beta-cholestane.
The molecule C([C@H](CC1=CC=CC=C1)NC(=O)C=2C=CC=CC2)(=O)O C([C@H](CC1=CC=CC=C1)NC(=O)C=2C=CC=CC2)(=O)O is an N-acyl-L-phenylalanine that is L-phenylalanine in which one of the hydrogens of the amino group has been replaced by a benzoyl group. It is a conjugate acid of N-benzoyl-L-phenylalaninate . It is also related to or classified as N-acyl-L-phenylalanine  . It is also related to or classified as 2-(benzoylamino)-3-phenylpropanoic acid  .
The molecule C12=CC(CC(C1(CC(CC2)C(=C)C)C)C)O C12=CC(CC(C1(CC(CC2)C(=C)C)C)C)O is A carbobicyclic compound that is 2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol which carries a methyl, methyl and prop-1-en-2-yl groups at positions 4, 4a, and 6, respectively. It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as octahydronaphthalenes , eremophilane sesquiterpenoid , olefinic compound .
The molecule C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3F C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3F is N-[(5R,6S,9S)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1 O=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1 is A diisocyanate consisting of diphenylmethane with two isocyanate groups at the 4- and 4'-positions. It has the role of allergen . It has the role of hapten . It is also related to or classified as diisocyanate .
The molecule O=C(O[C@H]1[C@]2(O[C@@]([C@@H]1O)(O[C@@H]([C@@]2(O)C(=O)O)C(=O)O)CCC(=C)[C@@H](OC(=O)C)[C@@H](CC3=CC=CC=C3)C)C(=O)O)/C=C/C(=C/C(CC)C)/C O=C(O[C@H]1[C@]2(O[C@@]([C@@H]1O)(O[C@@H]([C@@]2(O)C(=O)O)C(=O)O)CCC(=C)[C@@H](OC(=O)C)[C@@H](CC3=CC=CC=C3)C)C(=O)O)/C=C/C(=C/C(CC)C)/C is Squalestatin T1. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C[C@@H]1[C@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC=C1C)C(=O)O)C)C)(C)C)O)C is a pentacyclic triterpenoid that is urs-20-ene substituted by a carboxy group at position 28 and a beta-hydroxy group at position 3. It has been isolated from Juglans sinensis. It has a role as a plant metabolite. It is a pentacyclic triterpenoid and a hydroxy monocarboxylic acid. It derives from a hydride of an ursane.
The molecule N(C(=O)[C@H]1N(CCC1)C([C@H](CCSC)NC(=O)[C@H]2N(CCC2)C(=O)CNC([C@H](CCCC[NH3+])NC([C@H](CC3=CN=CN3)NC([C@H](CO)NC([C@H](CC(C)C)NC([C@H](CCCNC(=[NH2+])N)NC(=O)[C@H]4N(CCC4)C([C@H](CCCNC(=[NH2+])N)NC([C@H](CCC(=O)N)[NH3+])=O)=O)=O)=O)=O)=O)=O)=O)[C@H](C(=O)[O-])CC=5C=CC=CC5 N(C(=O)[C@H]1N(CCC1)C([C@H](CCSC)NC(=O)[C@H]2N(CCC2)C(=O)CNC([C@H](CCCC[NH3+])NC([C@H](CC3=CN=CN3)NC([C@H](CO)NC([C@H](CC(C)C)NC([C@H](CCCNC(=[NH2+])N)NC(=O)[C@H]4N(CCC4)C([C@H](CCCNC(=[NH2+])N)NC([C@H](CCC(=O)N)[NH3+])=O)=O)=O)=O)=O)=O)=O)=O)[C@H](C(=O)[O-])CC=5C=CC=CC5 is A peptide cation obtained from the protonation of the N-terminus amino group and L-arginyl side chains, and deprotonation of the C-terminus carboxy group of apelin-13. It is the major species at pH 7.3. It is a conjugate acid of apelin-13 . It is also related to or classified as peptide cation .
The molecule C12=C[C@@H](C[C@H]([C@@]1(C[C@@H](CC2)C(=C)C)C)C)O C12=C[C@@H](C[C@H]([C@@]1(C[C@@H](CC2)C(=C)C)C)C)O is A 4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol with (2R,4R,4aS,6R) stereochemistry. It has the role of plant metabolite . It has the role of fungal metabolite . It is also related to or classified as 6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol  .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OS(=O)(=O)[O-])O)O)N is an organic dianion arising from deprotonation of the phosphate and sufate groups of 5'-adenylyl sulfate; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is an organosulfate oxoanion and an organophosphate oxoanion. It is a conjugate base of a 5'-adenylyl sulfate.
The molecule C=1(C(O[C@H](C1[O-])CC([O-])=O)=O)CC2=C(C(=CC(=C2O)C)C(=O)C)O C=1(C(O[C@H](C1[O-])CC([O-])=O)=O)CC2=C(C(=CC(=C2O)C)C(=O)C)O is major microspecies at pH 7.3. It is also related to or classified as polyketide  .  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as resorcinols , tetronic acid derivative .
The molecule [H][C@@]1(CC(O)=O)OC(C)(C)[C@]2([H])CC(=O)[C@]3(C)[C@]([H])(CC[C@@](C)([C@@H](O)c4ccoc4)[C@@]33O[C@@H]3C(O)=O)[C@@]12CO [H][C@@]1(CC(O)=O)OC(C)(C)[C@]2([H])CC(=O)[C@]3(C)[C@]([H])(CC[C@@](C)([C@@H](O)c4ccoc4)[C@@]33O[C@@H]3C(O)=O)[C@@]12CO is limonoic acid. It is a conjugate acid of limonoate(2-) .  It is also related to or classified as epoxide  . It is also related to or classified as furans , dicarboxylic acid , limonoid .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CNC C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CNC is 4-(dimethylamino)-N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1N[C@H](C(=O)O)CC2=C(C1C=3C4=C(C=CC=C4)NC3)NC=5C=CC=CC25 O=C1N[C@H](C(=O)O)CC2=C(C1C=3C4=C(C=CC=C4)NC3)NC=5C=CC=CC25 is Malabetaezindole A. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .
The molecule CC/C=C/CC(=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 a trans-3-enoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of trans-3-hexenoyl-CoA; major species at pH 7.3. It is a trans-3-enoyl-CoA(4-), a 4-saturated-trans-3-enoyl-CoA(4-) and a medium-chain fatty acyl-CoA(4-). It is a conjugate base of a trans-3-hexenoyl-CoA.
The molecule C([C@@H](C(=O)O)N)SC(=O)CN is an N-acyl-L-amino acid that is the S-glycyl derivative of L-cysteine. It is a glycine derivative, a L-cysteine derivative and a thioester.
The molecule CC(=O)OC(C)(C)[C@H]1CC[C@](O1)(C)[C@H](CC[C@@](C)([C@]2(CC[C@@]3([C@@](O2)(CC[C@@](O3)([C@@]4(CC[C@H](C(O4)(C)C)Br)C)[H])C)[H])[H])O)O CC(=O)OC(C)(C)[C@H]1CC[C@](O1)(C)[C@H](CC[C@@](C)([C@]2(CC[C@@]3([C@@](O2)(CC[C@@](O3)([C@@]4(CC[C@H](C(O4)(C)C)Br)C)[H])C)[H])[H])O)O is thyrsiferyl 23-acetate (TF23A) is a brominated compound from marine red alga: major species at pH 7.3. It is also related to or classified as organobromine compound  .
The molecule O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O is A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 4-hydroxy group of (+)-quinic acid. It has the role of metabolite . It has the role of hepatoprotective agent . Its functional parent is trans-caffeic acid . Its functional parent is (+)-quinic acid . It is also related to or classified as cinnamate ester , cyclitol carboxylic acid .
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)C(=O)C3=CC=NC=C3 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)C(=O)C3=CC=NC=C3 is N-[[(3R,9S,10S)-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]-N-methyl-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](O)C=COC4)[C@@H]5[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC=C5C2)C S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](O)C=COC4)[C@@H]5[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC=C5C2)C is Graphiumin D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCCCC/C=C\\CCCCCC is an alpha-D-Glc-(1->3')-1,2-diacylglycerol in which the acyl groups at positions 1 and 2 are cis-vaccenoyl [(11Z)-octadec-11-enoyl] and palmitoyl (hexadecanoyl) respectively.
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]2OC)CO)O)O)O)O)O is a methyl glycoside that consists of methyl beta-D-galactoside having an alpha-L-rhamnosyl residue at the 2-position. A core disaccharide from the Streptococcus pneumoniae type 23F capsular polysaccharide antigen. It is a disaccharide derivative, a beta-D-galactoside and a methyl glycoside.
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 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 an organoiodine compound that is 3-amino-2,4,6-triiodobenzoic acid in which one of the amino hydrogens is substituted by a 6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl group. It is a water-soluble radiographic contrast media for cholecystography and intravenous cholangiography. It has the role of radioopaque medium . It is a conjugate acid of adipiodone(2-) . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as organoiodine compound  . It is also related to or classified as benzoic acids .
The molecule BrN1C(=O)CCC1=O BrN1C(=O)CCC1=O is A five-membered cyclic dicarboximide compound having a bromo substituent on the nitrogen atom. It has the role of reagent . Its functional parent is succinimide . It is also related to or classified as dicarboximide  . It is also related to or classified as organobromine compound  . It is also related to or classified as pyrrolidinone .
The molecule CC(=O)NC(Cc1ccccc1)C(O)=O CC(=O)NC(Cc1ccccc1)C(O)=O is the N-acetyl derivative of phenylalanine. It has the role of metabolite . It has the role of antidepressant . It is also related to or classified as N-acetyl-amino acid , phenylalanine derivative .
The molecule CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)N)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C is a benzamide obtained by formal condensation of the carboxy group of 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluorobenzoic acid with ammonia. It has a role as an antineoplastic agent and an androgen antagonist. It is a member of benzamides, an imidazolidinone, a nitrile, a thiocarbonyl compound, a member of (trifluoromethyl)benzenes and a member of monofluorobenzenes.
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1ccccc1O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1ccccc1O is A 2-polyprenylphenol in which the polyprenyl chain contains 8 prenyl units; major species at pH 7.3. It is also related to or classified as 2-polyprenylphenol .
The molecule CC(C)C[C@H]1C(=O)N2[C@H](C[C@@]3([C@H]2N(C4=CC=CC=C43)C(=O)C)OC(=O)C)C(=O)N1 is an acetate ester obtained by the formal condensation of the hydroxy group of the fungal metabolite protubonine A with acetic acid. It has been isolated from Aspergillus species. It has a role as an Aspergillus metabolite. It is a member of acetamides, a dipeptide, an organic heterotetracyclic compound and an acetate ester. It derives from a protubonine A.
The molecule [H][C@]12CC(=O)OC[C@]11[C@@]3([H])CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]3(C)C(=O)C[C@@]1([H])C(C)(C)O2)c1ccoc1 [H][C@]12CC(=O)OC[C@]11[C@@]3([H])CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]3(C)C(=O)C[C@@]1([H])C(C)(C)O2)c1ccoc1 is limonin. It has the role of metabolite . It has the role of volatile oil component . It has the role of inhibitor .  It is also related to or classified as lactone  . It is also related to or classified as epoxide  . It is also related to or classified as furans , limonoid , organic heterohexacyclic compound , hexacyclic triterpenoid .
The molecule CC(\C=C\CO)=C/C=C/C=C(C)/C=C/CO CC(\C=C\CO)=C/C=C/C=C(C)/C=C/CO is A 1,12-diol compound having double bonds in the 2-, 4-, 6-, 8-, and 10-positions. It is also related to or classified as diol  . It is also related to or classified as apo carotenoid .
The molecule O=C1OC[C@@H]([C@H]1O)C2=CC(OC)=C(O)C(=C2)OC O=C1OC[C@@H]([C@H]1O)C2=CC(OC)=C(O)C(=C2)OC is Lucidulactone A. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C1=CC(=CN=C1)CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CN=CC=C3 is a pyrimidinecarboxamide having the amido groups at the 4- and 6-positions and pyridin-3-ylmethyl as the amide N-substituents. It is a member of pyridines and a pyrimidinecarboxamide.
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)CC3=CC=C(C=C3)OC 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)CC3=CC=C(C=C3)OC is 1-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CC(=O)NC=C1C(=O)[O-] is the conjugate base of 1,4,5,6-tetrahydro-6-oxonicotinic acid; major species at pH 7.3. It is a conjugate base of a 1,4,5,6-tetrahydro-6-oxonicotinic acid.
The molecule CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O is A substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide. It has the role of herbicide . It has the role of agrochemical . It has the role of xenobiotic . It has the role of environmental contaminant . It is also related to or classified as C-nitro compound , substituted aniline , (trifluoromethyl)benzenes .
The molecule C1=C(C[C@H](C=C1)N)C(O)=O C1=C(C[C@H](C=C1)N)C(O)=O is the (R)-enantiomer of gabaculine. It is also related to or classified as 5-aminocyclohexa-1,3-diene-1-carboxylic acid  .
The molecule CC1=C(C=O)C(C)(C)C[C@@H](C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O CC1=C(C=O)C(C)(C)C[C@@H](C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A beta-D-glucoside of beta-cyclocitral; the precursor of safranal. It is the compound most responsible for the bitter taste of saffron. Its functional parent is beta-cyclocitral . It is also related to or classified as beta-D-glucoside  .
The molecule [C@H](CC(C)C)(NC(=O)C)C(O)=O [C@H](CC(C)C)(NC(=O)C)C(O)=O is the N-acetyl derivative of D-leucine. It is a conjugate acid of N-acetyl-D-leucinate . It is also related to or classified as N-acetyl-D-amino acid , D-leucine derivative .
The molecule C=1(C(C(C(=CC1C(=O)C)C)=O)=C)O C=1(C(C(C(=CC1C(=O)C)C)=O)=C)O is ortho-quinone methide. Its functional parent is o-quinomethane . It is also related to or classified as quinomethane .
The molecule O=C(O)/C=C/C=C/[C@H]1O[C@H]2[C@](OCC[C@H]2C)(C)[C@H]3[C@]([C@@H]1O)(O)[C@H]4[C@@H](CC(C)=CC4)[C@H]5[C@@]3(O5)C O=C(O)/C=C/C=C/[C@H]1O[C@H]2[C@](OCC[C@H]2C)(C)[C@H]3[C@]([C@@H]1O)(O)[C@H]4[C@@H](CC(C)=CC4)[C@H]5[C@@]3(O5)C is Pyrenulic acid I. It is also related to or classified as medium-chain fatty acid  .
The molecule C[C@@]1([C@H]2CC3[C@@H](C(=O)C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)[O-])O)(C(=O)N)O)N(C)C)O is product of the enzymatic hydroxylation of 4a of 7-chlorotetracycline (chebi:133598). Depicted in fig. 4 of the reference It is an organic molecular entity and a (1S,10aS)-3-(CONH2)-1-(Me2N)-3,3a,4,6-(HO)4-2,5-dioxo-1H,10aH,11H,11aH-cyclopenta[b]anthracene.
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)CNC 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)CNC is 1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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 CC1=CC(=CC(=C1)OCC(C)NC2=NC(=NC(=N2)N)C(C)(C)F)C is a diamino-1,3,5-triazine that is 1,3,5-triazine substituted by a [1-(3,5-dimethylphenoxy)propan-2-yl]nitrilo group, amino group and 2-fluoropropan-2-yl group at positions 2,4 and 6, respectively. It is a diamino-1,3,5-triazine, an organofluorine compound, a secondary amino compound and an aromatic ether.
The molecule O=C1OC[C@]2([C@@H]1[C@H](/C=C(/C(=O)O)\CO)[C@@H](C(C)C)CC2)OC(=O)/C(=C/[C@H]3[C@H](C(=O)O)[C@@](O)(CC[C@@H]3C(C)C)COC(=O)/C(=C/[C@@H]4[C@@H](C(C)C)CC[C@@]5([C@H]4C(=O)OC5)O)/CO)/CO O=C1OC[C@]2([C@@H]1[C@H](/C=C(/C(=O)O)\CO)[C@@H](C(C)C)CC2)OC(=O)/C(=C/[C@H]3[C@H](C(=O)O)[C@@](O)(CC[C@@H]3C(C)C)COC(=O)/C(=C/[C@@H]4[C@@H](C(C)C)CC[C@@]5([C@H]4C(=O)OC5)O)/CO)/CO is Trivirensol G. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C1=C(CC(C=C1)N)C(O)=O C1=C(CC(C=C1)N)C(O)=O is an alpha,beta-unsaturated monocarboxylic acid that is cyclohexa-1,3-diene-1-carboxylic acid carrying an amino group at position 5. It is also related to or classified as gamma-amino acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C)C C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C)C is N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1[C@H](O[C@@H]2C(=C[C@H](N[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5C(=C[C@H](N[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@@H]8C(=C[C@H](N[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]%10[C@H](O)[C@@H](O)[C@@H](O[C@H]%11[C@H](O)[C@@H](O)[C@@H](O[C@H]%12[C@H](O)[C@@H](O)[C@@H](O[C@H]%13[C@H](O)[C@@H](O)C(O)O[C@@H]%13CO)O[C@@H]%12CO)O[C@@H]%11CO)O[C@@H]%10CO)O[C@@H]9C)[C@@H]([C@H]8O)O)CO)O[C@@H]7CO)O[C@@H]6C)[C@@H]([C@H]5O)O)CO)O[C@@H]4CO)O[C@@H]3C)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]%14O[C@@H]([C@@H](O)[C@@H]([C@H]%14O)O)CO O1[C@H](O[C@@H]2C(=C[C@H](N[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5C(=C[C@H](N[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@@H]8C(=C[C@H](N[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]%10[C@H](O)[C@@H](O)[C@@H](O[C@H]%11[C@H](O)[C@@H](O)[C@@H](O[C@H]%12[C@H](O)[C@@H](O)[C@@H](O[C@H]%13[C@H](O)[C@@H](O)C(O)O[C@@H]%13CO)O[C@@H]%12CO)O[C@@H]%11CO)O[C@@H]%10CO)O[C@@H]9C)[C@@H]([C@H]8O)O)CO)O[C@@H]7CO)O[C@@H]6C)[C@@H]([C@H]5O)O)CO)O[C@@H]4CO)O[C@@H]3C)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]%14O[C@@H]([C@@H](O)[C@@H]([C@H]%14O)O)CO is Acarviostatin III23. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule S1S[C@]23N([C@@H]4[C@@H](OC(=O)[C@H](O)C5=CC=CC=C5)C=COC=C4C2)C([C@@]6(S1)N([C@@H]7[C@@H](OC(=O)CC8=CC=CC=C8)C=CC=C7C6)C3=O)=O S1S[C@]23N([C@@H]4[C@@H](OC(=O)[C@H](O)C5=CC=CC=C5)C=COC=C4C2)C([C@@]6(S1)N([C@@H]7[C@@H](OC(=O)CC8=CC=CC=C8)C=CC=C7C6)C3=O)=O is Emethallicin D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F is a monocarboxylic acid that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted on the nitrogen by a cyclopropyl group and at positions 6, 7, and 8 by fluoro, 3-methylpiperazin-1-yl, and methoxy groups, respectively. Gatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, that like other members of that family, inhibits the bacterial topoisomerase type-II enzymes. It has a role as an antiinfective agent, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor and an antimicrobial agent. It is a quinolinemonocarboxylic acid, a N-arylpiperazine, an organofluorine compound, a quinolone and a quinolone antibiotic.
The molecule CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/[C@H](CC=C(C)C)C(C)(C)O)/C)/C)/C)C is a C45 carotenoid that is an intermediate in the biosynthesis of bacterioruberin, a red-coloured pigment found in several Halobacterium and Haloarcula species It has a role as a bacterial metabolite. It is a C45 carotenoid and a tertiary alcohol.
The molecule O=C1OC(=CC2=C1C3=C(C=C(O)C(=C3)O)[C@H](O2)OC)/C=C/C4=CC(OC)=C(O)C=C4 O=C1OC(=CC2=C1C3=C(C=C(O)C(=C3)O)[C@H](O2)OC)/C=C/C4=CC(OC)=C(O)C=C4 is Methylinoscavin D. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CC(=C)C1CCC2(C)OC2C1 CC(=C)C1CCC2(C)OC2C1 is an epoxide resulting from the formal epoxidation of the cyclic double bond of limonene. It has the role of plant metabolite .  It is also related to or classified as epoxide  . It is also related to or classified as limonene monoterpenoid .
The molecule [H]C(=O)\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)C([H])=O [H]C(=O)\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)C([H])=O is an apo carotenoid sesquiterpenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 4'- and 15-positions.   It is also related to or classified as enal  . It is also related to or classified as apo carotenoid sesquiterpenoid , dialdehyde .
The molecule C1(=C2C(=C(C=C1C(=O)C)C)O[C@]3([C@@](C2)(C(O[C@H]3CC([O-])=O)=O)CC4=C(C(=CC(=C4O)C(C)=O)C)O)O)O C1(=C2C(=C(C=C1C(=O)C)C)O[C@]3([C@@](C2)(C(O[C@H]3CC([O-])=O)=O)CC4=C(C(=CC(=C4O)C(C)=O)C)O)O)O is major microspecies at pH 7.3. It is also related to or classified as polyketide  .  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as resorcinols .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C is 1-[[(3S,9R,10R)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [O-]C(=O)\C=C/C([O-])=O.[H][N+](C)(C)CC(C)C[N+]1([H])c2ccccc2CCc2ccccc12 [O-]C(=O)\C=C/C([O-])=O.[H][N+](C)(C)CC(C)C[N+]1([H])c2ccccc2CCc2ccccc12 is trimipramine maleate. It has the role of antidepressant . It is also related to or classified as maleate salt .