anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1=CC=C2C=C(C=CC2=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O is a beta-D-glucoside that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen is replaced by a 2-naphthyl group. It has a role as a chromogenic compound. It is a beta-D-glucoside and a member of naphthalenes. It derives from a 2-naphthol.
The molecule Br[C@@H]1C([C@@H](C(=C)CC1)C[C@@]23OC([C@H](Cl)C=C2C(=O)C4=C(C3=O)C=C(O)C=C4O)(C)C)(C)C Br[C@@H]1C([C@@H](C(=C)CC1)C[C@@]23OC([C@H](Cl)C=C2C(=O)C4=C(C3=O)C=C(O)C=C4O)(C)C)(C)C is Napyradiomycin E. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C(C(C1C(C(C(=O)O1)O)O)=N)O C(C(C1C(C(C(=O)O1)O)O)=N)O is A butenolide that is 3,4-dihydroxyoxolan-2-one carrying an additional 2-hydroxyethanimidoyl substituent at position 5. It is also related to or classified as imine  .  It is also related to or classified as butenolide  . It is also related to or classified as triol .
The molecule C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C is a bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively. It has a role as a human blood serum metabolite. It is a bile acid, a dihydroxy-5beta-cholanic acid and a C24-steroid. It is a conjugate acid of a deoxycholate.
The molecule CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C is a propanoate ester that is propyl propanoate substituted by a benzyl and phenyl group at position 1, a methyl group at position 2 and a dimethylamino group at position 3. It is a propanoate ester and a tertiary amine.
The molecule NNC(=O)C1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O NNC(=O)C1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O is A carbohydrazide resulting from the formal condensation of the carboxy group of 3,5-dinitrosalicylic acid  with one of the amino groups of hydrazine. It is a metabolite of nifursol found in foodstuffs of animal origin. It has the role of drug metabolite . Its functional parent is 3,5-dinitrosalicylic acid . It is also related to or classified as carbohydrazide  . It is also related to or classified as dinitrophenol  .
The molecule OC(C(O)C(O)C=N)C(O)CO OC(C(O)C(O)C=N)C(O)CO is A pentol consisting of 1-iminohexane with four hydroxy substituents placed at positions 2, 3, 4, 5 and 6. It is also related to or classified as aldimine  . It is also related to or classified as pentol  .
The molecule CCCCCCC(C)CCCCCCCCCCC(=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 long-chain fatty acyl-CoA(4-) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of 12-methyloctadecanoyl-CoA; major species at pH 7.3 It is a long-chain fatty acyl-CoA(4-) and a saturated fatty acyl-CoA(4-). It is a conjugate base of a 12-methyloctadecanoyl-CoA.
The molecule OC(=O)C(O)(CC([O-])=O)CC([O-])=O OC(=O)C(O)(CC([O-])=O)CC([O-])=O is A citrate(2-) that is the dianion obtained by the deprotonation of the terminal carboxy groups of citric acid. It is also related to or classified as citrate(2-) .
The molecule Oc1cccc2cccnc12 Oc1cccc2cccnc12 is A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes. It has the role of antibacterial agent . It has the role of iron chelator . It has the role of antiseptic drug . It has the role of antifungal agrochemical . It is also related to or classified as monohydroxyquinoline .
The molecule OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O is A cycloamylose composed of eight alpha-(1->4) linked D-glucopyranose units. It is also related to or classified as cyclodextrin .
The molecule C=CC(=O)[O-] is a monocarboxylic acid anion. It has a role as a human metabolite. It is a conjugate base of an acrylic acid.
The molecule CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)CC[C@@H]6O)C)O5)C)CO is a withanolide that is the 2,3-dihydro derivative of withaferin A. It has been isolated from the aerial parts of Physalis longifolia. It has a role as a plant metabolite. It is a delta-lactone, a 27-hydroxy steroid, a 4-hydroxy steroid, an ergostanoid, a primary alcohol, a secondary alcohol, a withanolide and an epoxy steroid. It derives from a withaferin A.
The molecule CN1C=NN=C1C2CCN(CC2)C3=C(C=CC=N3)C=4C=CC5=C(C4)OCO5 CN1C=NN=C1C2CCN(CC2)C3=C(C=CC=N3)C=4C=CC5=C(C4)OCO5 is SEN180. It has the role of EC 2.3.2.* (aminoacyltransferase) inhibitor . It is also related to or classified as organic molecular entity .
The molecule Oc1ccc2c(c1)occ(-c1ccccc1)c2=O Oc1ccc2c(c1)occ(-c1ccccc1)c2=O is the simplest member of the class of 7-hydroxyisoflavones that is isoflavone with a hydroxy substituent at position 7. It has the role of metabolite . It has the role of EC 1.14.14.14 (aromatase) inhibitor . It is a conjugate acid of 7-hydroxyisoflavone(1-) . It is also related to or classified as 7-hydroxyisoflavones  .
The molecule COC1=CC=C(C[C@H](N)C(O)=O)C=C1 COC1=CC=C(C[C@H](N)C(O)=O)C=C1 is the L-enantiomer of O-methyltyrosine . It is also related to or classified as O-methyltyrosine  .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O is a glycosyloxyflavone that is quercetin attached to a 6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl residue at position 3 via a glycosidic linkage. It has a role as a plant metabolite and an antioxidant. It is a glycosyloxyflavone, a tetrahydroxyflavone and a disaccharide derivative. It derives from a quercetin.
The molecule C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN(C4=N)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)[O-])[O-])O)O)O)O is a nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of cyclic ADP-ribose. It is a conjugate base of a cyclic ADP-ribose.
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=NC=C4 C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=NC=C4 is N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(pyridin-4-yl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCC CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCC is A fatty amide resulting from the formal condensation of the carboxy group of cerotic acid with the amino group of (2S,3S,4R)-2-aminononane-1,3,4-triol and in which the primary hydroxy group of the resulting product has been converted to the corresponding alpha-D-galactopyranoside. Its functional parent is hexacosanoic acid .  It is also related to or classified as alpha-D-galactoside  . It is also related to or classified as fatty amide , monosaccharide derivative .
The molecule CC(=O)CC(=O)C1=C(C2=C(C=C1CC(=O)OC)C(=O)C3=C(C2=O)C(=CC=C3)O)O is the methyl ester of nogalonic acid. It is a methyl ester, a polyketide, a polyphenol and a dihydroxyanthraquinone. It derives from a nogalonic acid. It is a conjugate acid of a methyl nogalonate(1-).
The molecule OC(C(O)C)CO OC(C(O)C)CO is A triol that is butane carrying three hydroxy substituents at position 1, 2 and 3. It is also related to or classified as triol .
The molecule O=C(C1CC1=C)C O=C(C1CC1=C)C is A cyclopropane substituted at positions 1 and 2 by methylene and acetyl groups respectively. It is also related to or classified as cyclopropanes , methyl ketone , olefinic compound .
The molecule C1=COC2=CC3=C(C=C21)C(=O)C=CO3 is a chromone that consists of a furo[3,2-g]chromen-5-one skeleton and its substituted derivatives thereof. (The diagram shows the basic unsubstituted skeleton.) It is a member of chromones, an organic heterotricyclic compound and an oxacycle.
The molecule C1Cc2ccccc2OC1c1ccccc1 C1Cc2ccccc2OC1c1ccccc1 is the simplest member of the class of flavans that is chromane substituted by a phenyl group at position 2. It is also related to or classified as flavans  .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\\C/C=C\\C/C=C\\CCCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O is a 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (10Z,13Z,16Z)-docosatrienoyl and hexadecanoyl respectively. It has a role as a human metabolite. It derives from a (10Z,13Z,16Z)-docosatrienoic acid and a hexadecanoic acid.
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]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)O)O)CO)CO)O)NC(=O)C)O)O)O is a branched amino pentasaccharide comprising one fucose, two galactose, one glucosamine and one glucose unit (at the reducing end), linked as shown. It is an amino pentasaccharide and a glucosamine oligosaccharide.
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)O[C@@H](CCCCCCCCCCCCCCCCCCCCCC(C(=O)O)C)C [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)O[C@@H](CCCCCCCCCCCCCCCCCCCCCC(C(=O)O)C)C is an (omega-1)-hydroxy fatty acid ascaroside obtained by obtained by formal condensation of the alcoholic hydroxy group of (24R)-2-methylpentacosanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . It is also related to or classified as monocarboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .
The molecule C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O is a pyrimidine ribonucleoside 5'-triphosphate having uracil as the nucleobase. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a pyrimidine ribonucleoside 5'-triphosphate and a uridine 5'-phosphate. It is a conjugate acid of an UTP(4-) and an UTP(3-).
The molecule C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)O)C is a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid and a 3-oxo-Delta(4) steroid. It derives from a chol-4-en-24-oic acid. It is a conjugate acid of a 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oate.
The molecule S1SS[C@]23N([C@@H]4[C@@H](O)C=CC=C4C2)C([C@@](S1)(N(C)C3=O)CO)=O S1SS[C@]23N([C@@H]4[C@@H](O)C=CC=C4C2)C([C@@](S1)(N(C)C3=O)CO)=O is Gliotoxin G. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CNC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O is guanosine with the hydrogen on the amine at position N-2 substituted with a methyl group. It has a role as a metabolite.
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)CC3=CC=C(C=C3)OC C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=C(C=C3)OC is N-[(5R,6S,9S)-5-methoxy-8-[(4-methoxyphenyl)methyl]-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 NC(CC1=CC=C(N=C1)C1=NC=CC=C1)C(O)=O NC(CC1=CC=C(N=C1)C1=NC=CC=C1)C(O)=O is A L-alanine derivative that is L-alanine substituted by a [2,2'-bipyridin]-5-yl group at position 3. It is also related to or classified as pyridines , bipyridines , L-alanine derivative .
The molecule C/C(=C/O)/C=C/C(=O)C(=O)O is a muconic semialdehyde compound having a hydroxy substituent at the 2-position and a methyl substituent at the 5-position. It is a muconic semialdehyde and an alpha,beta-unsaturated monocarboxylic acid.
The molecule [C@@H](C(CCCCCCCCCCCCCCC)=O)(CO)NC(=O)CCCCCCC/C=C\CCCCCC [C@@H](C(CCCCCCCCCCCCCCC)=O)(CO)NC(=O)CCCCCCC/C=C\CCCCCC is N-palmitoleoyl-3-ketodihydrosphingosine. Its functional parent is palmitoleate . It is also related to or classified as N-acyl-3-ketodihydrosphingosine  .
The molecule C/C(=C/1\\CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)([O-])[O-])O is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 20-methyl-3-oxopregna-4,17-dien-21-oyl-CoA; major species at pH 7.3. It is a conjugate base of a 20-methyl-3-oxopregna-4,17-dien-21-oyl-CoA.
The molecule [H][C@@]12CC(=C)C3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H] [H][C@@]12CC(=C)C3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H] is A 17-oxo steroid that is androsta-1,4-diene-3,17-dione in which the hydrogens at position 6 are replaced by a double bond to a methylene group. A selective inhibitor of the aromatase (oestrogen synthase) system, it is used in the treatment of advanced breast cancer. It has the role of antineoplastic agent . It has the role of xenobiotic . It has the role of EC 1.14.14.14 (aromatase) inhibitor . It has the role of environmental contaminant . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  .
The molecule C1C(C[C@@]2([C@](C1)([C@@]3(C(=CC2=O)[C@]4(O)CC[C@@]([C@]4(CC3)C)([C@@H]([C@@H](CCC(C)C)O)C)[H])[H])C)[H])=O C1C(C[C@@]2([C@](C1)([C@@]3(C(=CC2=O)[C@]4(O)CC[C@@]([C@]4(CC3)C)([C@@H]([C@@H](CCC(C)C)O)C)[H])[H])C)[H])=O is A 3-oxo steroid that is 3-dehydroecdysone in which the hydroxy groups at positions 2 and 25 are replaced by hydrogen.    It is also related to or classified as 3-oxo steroid  . It is also related to or classified as 14alpha-hydroxy steroid , 22-hydroxy steroid , 6-oxo steroid .
The molecule O=C(N1[C@H](CN(C(=O)/C=C/C2=CC=CC=C2)[C@H](C1)CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5 O=C(N1[C@H](CN(C(=O)/C=C/C2=CC=CC=C2)[C@H](C1)CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5 is Xenocockiamide D. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CNC3=O is a purine 2',3'-dideoxyribonucleoside that is inosine in which the hydroxy groups at both the 2' and the 3' positions on the sugar moiety have been replaced by hydrogen. An antiviral drug, it is used as a medication to treat HIV/AIDS. It has a role as an antimetabolite, a HIV-1 reverse transcriptase inhibitor, an antiviral drug and an EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor.
The molecule C(=O)([O-])[C@@H]([NH3+])CSC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C C(=O)([O-])[C@@H]([NH3+])CSC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C is S-[(2E,6E,10E)-geranylgeranyl]-L-cysteine zwitterion. It is also related to or classified as S-polyprenyl-L-cysteine zwitterion , amino-acid zwitterion .
The molecule C1C[C@H](C=C[C@H]1CC(=O)C(=O)O)O is a tetrahydro-4-hydroxyphenylpyruvic acid with (1R,4R)-stereochemistry. It has a role as a bacterial metabolite. It is a conjugate acid of a 3-[(1R,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvate.
The molecule OC(C(O)C(O)\C=N\O)C(O)CO OC(C(O)C(O)\C=N\O)C(O)CO is A pentol consisting of 1-(hydroxyimino)hexane with five hydroxy substituents placed at positions 2, 3, 4, 5 and 6. It is also related to or classified as pentol  .  It is also related to or classified as aliphatic aldoxime  . It is also related to or classified as aldohexose derivative .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CCOCC4 C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CCOCC4 is N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-5-[4-oxanyl(oxo)methyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)C C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)C is 1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,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]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC[C@@]12CCC[NH+]3[C@@H]1[C@@]4(CC3)C5=CC=CC=C5NC4=C(C2)C(=O)OC is an ammonium ion resulting from the protonation of the tertiary amino group of (-)-vincadifformine. The major species at pH 7.3. It is a conjugate acid of a (-)-vincadifformine. It is an enantiomer of a (+)-vincadifformine(1+).
The molecule C1=CC=C2C(=C1)C(=CC=N2)C(=O)[O-] is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of quinoline-4-carboxylic acid. It is a conjugate base of a quinoline-4-carboxylic acid.
The molecule C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C is 1-(2-methoxyphenyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=C(C(=C1Cl)CC(=O)[O-])Cl)Cl.[NH4+] is an ammonium salt comprising equimolar amounts of chlorfenac(1-) anions and ammonium cations. An obsolete herbicide. It has a role as an agrochemical, a herbicide and a synthetic auxin. It contains a chlorfenac(1-).
The molecule S(O[C@@H]1[C@@H](NC(=O)C)[C@H](O[C@H]2[C@H](O)[C@H](NC(=O)C)[C@H](O[C@@H]3[C@@H](O[C@@H]4[C@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]6CO[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)O)O[C@@H]([C@H]4O)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO)CO)O[C@@H]([C@@H](O)[C@@H]3O)CO)O[C@@H]2CO)O[C@@H]([C@@H]1O)CO)(O)(=O)=O S(O[C@@H]1[C@@H](NC(=O)C)[C@H](O[C@H]2[C@H](O)[C@H](NC(=O)C)[C@H](O[C@@H]3[C@@H](O[C@@H]4[C@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]6CO[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)O)O[C@@H]([C@H]4O)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO)CO)O[C@@H]([C@@H](O)[C@@H]3O)CO)O[C@@H]2CO)O[C@@H]([C@@H]1O)CO)(O)(=O)=O is [(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule C=C/C=C(/C(=O)O)\\[O-] is the conjugate base of 2-hydroxypenta-2,4-dienoic acid. It derives from a penta-2,4-dienoate. It is a conjugate base of a 2-hydroxypenta-2,4-dienoic acid. It is a tautomer of a 2-oxopent-4-enoate.
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)O[C@@H](CCCCCCCCCCCCCCCCCCCCC(C(C(=O)NCCO)C)=O)C [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)O[C@@H](CCCCCCCCCCCCCCCCCCCCC(C(C(=O)NCCO)C)=O)C is A hydroxy fatty amide ascaroside obtained by obtained by formal condensation of the 24-hydroxy group of (24R)-24-hydroxy-N-(2-hydroxyethyl)-2-methyl-3-oxopentacosanamide with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as N-acylethanolamine  . It is also related to or classified as hydroxy fatty amide ascaroside .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)C is an organophosphate oxoanion arising from deprotonation of the diphosphate OH groups of all-trans-heptaprenyl diphosphate; major species at pH 7.3. It is a conjugate base of an all-trans-heptaprenyl diphosphate.
The molecule [C@@H](C(CCCCCCCCCCCCCCC)=O)(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC [C@@H](C(CCCCCCCCCCCCCCC)=O)(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC is N-tetracosanoyl-3-ketodihydrosphingosine. Its functional parent is tetracosanoate . It is also related to or classified as N-acyl-3-ketodihydrosphingosine  .
The molecule CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1(C4=CC(=O)[C@]([C@@]4(CC3)C)(C5=COC=C5)O)C)C is a limonoid that is azadiradione substituted by a hydroxy group at position 17. It has been isolated from Azadirachta indica. It has a role as a metabolite, a plant metabolite and an enzyme inhibitor. It is an acetate ester, a cyclic terpene ketone, a member of furans, a limonoid, a tetracyclic triterpenoid, a tertiary alcohol and a tertiary alpha-hydroxy ketone. It derives from an azadiradione.
The molecule CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)/C=C(/C4=CC=C(C=C4)Cl)\\Cl)C is an organochlorine acaricide, an organofluorine acaricide and a member of monochlorobenzenes. It has a role as a pyrethroid ester acaricide and a pyrethroid ester insecticide.
The molecule CC(=O)OCC=Cc1ccccc1 CC(=O)OCC=Cc1ccccc1 is an acetate ester resulting from the formal condensation of cinnamyl alcohol with acetic acid. Found in cinnamon leaf oil. It has the role of insecticide . It has the role of metabolite . It has the role of fragrance . Its functional parent is cinnamyl alcohol . It is also related to or classified as acetate ester  .
The molecule C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O is the D-glycero-diastereomer of alpha-D-manno-heptopyranose; a key structural component of the outer cell membrane in Gram-negative bacteria, found in the conserved core oligosaccharide region.
The molecule C[NH2+][C@@]1(CCCCC1=O)C2=CC=CC=C2Cl.[Cl-] is the hydrochloride salt of esketamine. It has a role as an intravenous anaesthetic, a NMDA receptor antagonist and an analgesic. It contains an esketamine.
The molecule N[C@H](CC1=C[NH+]c2ccccc12)C(O)=O N[C@H](CC1=C[NH+]c2ccccc12)C(O)=O is D-tryptophanyl radical cation. Its functional parent is D-tryptophan . It is a conjugate acid of D-tryptophanyl radical . It is also related to or classified as tryptophanyl radical cation  .
The molecule CCCCCC1=C(C(=CC(=C1)O)O)C is a resorcinol having methyl and pentyl groups at positions 4 and 5 respectively. It has a role as an antineoplastic agent.
The molecule OP(=O)(O)[O-].[K+] is a potassium salt in which dihydrogen phosphate(1-) is the counterion. It has a role as a fertilizer. It is a potassium salt and an inorganic phosphate.
The molecule C([C@H](C=O)O)S(=O)(=O)[O-] is a 3-sulfolactaldehyde(1-) in which the stereocentre at position 3 has S-configuration. It is a conjugate base of a L-3-sulfolactaldehyde. It is an enantiomer of a D-3-sulfolactaldehyde(1-).
The molecule C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O is a monocarboxylic acid that is perfluorinated hexanoic acid. It has a role as an environmental contaminant and a xenobiotic. It derives from a hexanoic acid.