anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(C)n1nc(CC(O)=O)nc1-c1ccc(Cl)cc1 CC(C)n1nc(CC(O)=O)nc1-c1ccc(Cl)cc1 is A member of the class of triazoles that is 1H-triazole that is substituted at positions 1, 3 and 5 by isopropyl, carboxymethyl and p-chlorophenyl groups, respectively. It has been found to produced bleaching of new growth on a variety of dicotyledonous weeds and is a potent inhibitor of Arabidopsis (Arabidopsis thaliana) seedling growth. It has the role of herbicide . It has the role of plant growth retardant .   It is also related to or classified as organochlorine compound  . It is also related to or classified as monocarboxylic acid , triazoles .
The molecule SC(=O)c1cccc2nnsc12 SC(=O)c1cccc2nnsc12 is A benzothiadiazole that is 1,2,3-benzothiadiazole in which the hydrogen at position 7 is replaced by a sulfanylcarbonyl group. It is used (particularly as its S-methyl thioester) as a fungicide and plant activator. It has the role of plant activator . It has the role of antifungal agrochemical . It is also related to or classified as benzothiadiazole .
The molecule Brc1ccc(c2ccccc12)S(=O)(=O)NCc1ccccn1 Brc1ccc(c2ccccc12)S(=O)(=O)NCc1ccccn1 is A sulfonamide obtained by formal condensation of the sulfo group of 4-bromonaphthalene-1-sulfonic acid with the exocyclic amino group of 2-pyridylmethylamine. Mimics the action of the abscisic acid, a phytohormone. It has the role of hormone . It has the role of plant growth regulator . It has the role of abscisic acid receptor agonist .   It is also related to or classified as sulfonamide  . It is also related to or classified as organobromine compound  . It is also related to or classified as naphthalenes , pyridines .
The molecule OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O is A member of the class of benzoic acids that is 2-nitrobenzoic acid in which the hydrogen at position 5 is replaced by a 2-chloro-4-(trifluoromethyl)phenoxy group. It is a herbicide used for the post-emergence control of a variety of annual broadleaf weeds. It has the role of herbicide . It has the role of agrochemical . It has the role of EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor .     It is also related to or classified as organochlorine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as benzoic acids , monocarboxylic acid , aromatic ether , C-nitro compound .
The molecule Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(=O)NCCCCN)c1ccccn1 Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(=O)NCCCCN)c1ccccn1 is the monocarboxylic acid amide formed from dabigatran by reaction of the carboxy group of its beta-alanine moiety with putrecine. It has the role of hapten . It has the role of immunogen . Its functional parent is putrescine . Its functional parent is dabigatran . It is also related to or classified as monocarboxylic acid amide  .
The molecule [H][C@]12CC[C@]3(C)[C@@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc21)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O [H][C@]12CC[C@]3(C)[C@@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc21)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O is A steroid glucosiduronic acid that consists of 17alpha-estradiol having beta-glucuronyl and alpha-N-acetylglucosaminyl residues attached via glycosidic linkages at positions 3 and 17 respectively. Its functional parent is 17alpha-estradiol . It is a conjugate acid of 17alpha-(N-acetyl-alpha-D-glucosaminyl)estradiol 3-glucosiduronate . It is also related to or classified as steroid glucosiduronic acid .
The molecule CC(O)(C(Cc1ccc(Cl)cc1)n1cncn1)c1ccccc1 CC(O)(C(Cc1ccc(Cl)cc1)n1cncn1)c1ccccc1 is A member of the class of triazoles that is butan-2-ol which is substituted at positions 2, 3, and 4 by phenyl, 1H-1,2,4-triazol-1-yl and p-chlorophenyl groups, respectively. An inhibitor of brassinosteroid biosynthesis. It has the role of brassinosteroid biosynthesis inhibitor . It is also related to or classified as tertiary alcohol  . It is also related to or classified as triazoles , monochlorobenzenes .
The molecule O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1ncn([C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)c2=N O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1ncn([C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)c2=N is A 1-(5-phospho-D-ribosyl)-ATP in which the 5-phospho-D-ribosyl residue has beta-configuration at the anomeric centre. It is a conjugate acid of 1-(5-phospho-beta-D-ribosyl)-ATP(6-) . It is also related to or classified as 1-(5-phospho-D-ribosyl)-ATP  .
The molecule O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)n1cnc2c1ncn([C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)c2=N O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)n1cnc2c1ncn([C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)c2=N is A 1-(5-phospho-D-ribosyl)-ATP(6-) in which the 5-phospho-D-ribosyl residue has beta-configuration at the anomeric centre. It is also related to or classified as 1-(5-phospho-D-ribosyl)-ATP(6-)  .
The molecule [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 is A diastereoisomeric mixture of aloin A (barbaloin) and aloin B (isobarbaloin), which have similar properties. It is a bitter-tasting, yellow-brown colored compound found in the exudate of at least 68 Aloe species at levels of up to 6.6% of leaf dry weight (making between 3% and 35% of the total exudate), and in another 17 species at indeterminate levels. It is used as a stimulant-laxative, treating constipation by inducing bowel movements. It has the role of laxative . It has the role of EC 1.14.18.1 (tyrosinase) inhibitor . It is also related to or classified as diastereoisomeric mixture .
The molecule CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O is an arabidopside that is arabidopside B in which the hydrogen of the hydroxy group at position 6 of the beta-D-galactosyl moiety is replaced by an alpha-D-galactosyl group. It is also related to or classified as beta-D-galactoside  . It is also related to or classified as diester  . It is also related to or classified as glycosylgalactose derivative , arabidopside , glycoglycerolipid .
The molecule [H][C@@]12CC[C@]3(C)O[C@@]33CC=C(C)[C@]3([H])[C@H]1OC(=O)[C@H]2C [H][C@@]12CC[C@]3(C)O[C@@]33CC=C(C)[C@]3([H])[C@H]1OC(=O)[C@H]2C is an organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is arglabin in which the exocyclic double bond has been reduced to a single bond. It is found in Artemesia adamsii. It has the role of metabolite . Its functional parent is arglabin . It is also related to or classified as epoxide  . It is also related to or classified as gamma-lactone  . It is also related to or classified as sesquiterpene lactone , organic heterotetracyclic compound .
The molecule CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O is an arabidopside in which the glyceride moiety is acylated by cis-12-oxophytodienoyl and cis-dinor-oxyphytodienoyl groups at positions 1 and 2, respectively, and in which the carbohydrate moiety is a beta-D-galactopyranosyl group. The cyclopentenone moiety of both acyl groups is cis-disubstituted. It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol  . It is also related to or classified as beta-D-galactoside  . It is also related to or classified as diester  . It is also related to or classified as arabidopside .
The molecule [H][C@]12CC[C@]3(C)[C@@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C([O-])=O)ccc21)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O [H][C@]12CC[C@]3(C)[C@@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C([O-])=O)ccc21)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O is A carbohydrate acid derivative anion that is the conjugate base of 17alpha-(N-acetyl-alpha-D-glucosaminyl)estradiol 3-glucuronoside, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as carbohydrate acid derivative anion .
The molecule [H]C(=O)CCCO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O [H]C(=O)CCCO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O is an alpha-L-rhamnoside consisting of butanal having an alpha-L-rhamnosyloxy group attached at the 4-position. It is also related to or classified as aldehyde  . It is also related to or classified as alpha-L-rhamnoside  .
The molecule C=CCN=C=S C=CCN=C=S is an isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of lachrymator . It is also related to or classified as alkenyl isothiocyanate  . It is also related to or classified as isothiocyanate  .
The molecule CC(C)CC(=O)C1=C(O)[C@@](O)([C@@H](CC=C(C)C)C1=O)C(=O)CC=C(C)C CC(C)CC(=O)C1=C(O)[C@@](O)([C@@H](CC=C(C)C)C1=O)C(=O)CC=C(C)C is A cyclic ketone that is the naturally occurring (4S,5R) enantiomer of the cis-isomer of isohumolone, produced during the brewing process due to thermal isomerism, which converts humulones to isohumulones via an acyloin-type ring contraction. It has the role of plant metabolite . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as enol  .  It is also related to or classified as enone  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as cyclic ketone .
The molecule C1C(C[C@@]2([C@](C1)([C@@]3([C@@](CC2)([C@@]4([H])[C@@](C[C@@H]3O)(C)[C@](CC4)(C(CO)=O)O)[H])[H])C)[H])=O C1C(C[C@@]2([C@](C1)([C@@]3([C@@](CC2)([C@@]4([H])[C@@](C[C@@H]3O)(C)[C@](CC4)(C(CO)=O)O)[H])[H])C)[H])=O is A 17alpha-hydroxy-C21-steroid that is cortisol in which the 4-5 double bond has undergone formal hydrogenation to give the corresponding 5beta- steroid. It is also related to or classified as 17alpha-hydroxy-C21-steroid  . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as 3-oxo-5beta-steroid  .   It is also related to or classified as 11beta-hydroxy steroid  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as diketone  . It is also related to or classified as triol , 21-hydroxy steroid , 20-oxo steroid .
The molecule CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O is an arabidopside that is arabidopside A in which the hydrogen of the hydroxy group at position 6 of the beta-D-galactosyl moiety is replaced by an alpha-D-galactosyl group. It is also related to or classified as beta-D-galactoside  . It is also related to or classified as diester  . It is also related to or classified as glycosylgalactose derivative , arabidopside , glycoglycerolipid .
The molecule CCc1cnccn1 CCc1cnccn1 is A member of the class of pyrazines that is pyrazine in which one of the hydrogens is replaced by an ethyl group. Found particularly in cereals and cereal products, it is present in baked or fried potato, bread, roasted peanuts, and cooked shrimp, as well as cocoa, coffee, and tea. It has a musty, nutty, buttery, peanut odor and a chocolate-peanut taste. It has the role of flavouring agent . It has the role of fragrance . It has the role of Maillard reaction product . It is also related to or classified as pyrazines .
The molecule [H][C@@]12[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]3(C)O[C@]13CC=C2C [H][C@@]12[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]3(C)O[C@]13CC=C2C is an organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl group in which the double bond in the 7-membered ring has been epoxidised and in which the hydroxy group and the carboxy group have undergone formal condensation to give the corresponding gamma-lactone. It is found in Artemisia glabella. Arglabin-DMA HCl, the hydrochloride salt of the adduct resulting from the conjugate addition of dimethylamine to the ene-lactone moiety, has been successfully used in Khazakhstan for the treatment of breast, colon, ovarian and lung cancers. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as epoxide  . It is also related to or classified as gamma-lactone  . It is also related to or classified as sesquiterpene lactone , organic heterotetracyclic compound .
The molecule [H]C(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O [H]C(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A beta-D-glucoside resultng from the oxidation of the benzylic hydroxy group of salicin to the corresponding aldehyde. It has the role of metabolite . Its functional parent is salicylaldehyde . Its functional parent is salicin .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as benzaldehydes , monosaccharide derivative .
The molecule CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O is an arabidopside in which the glyceride moiety is acylated by cis-12-oxophytodienoyl groups at positions 1 and 2, and in which the and in which the carbohydrate moiety is a beta-D-galactopyranosyl group. The cyclopentenone moiety of both acyl groups is cis-disubstituted. It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol  . It is also related to or classified as beta-D-galactoside  . It is also related to or classified as diester  . It is also related to or classified as arabidopside .
The molecule [H][C@@]12C\C=C3/C[C@@](C)(CC[C@H]3OO)[C@H](O)[C@@]1([H])OC(=O)C2=C [H][C@@]12C\C=C3/C[C@@](C)(CC[C@H]3OO)[C@H](O)[C@@]1([H])OC(=O)C2=C is an organic heterotricyclic compound that is a hydroperoxysesquiterpene lactone with a modified germacrane skeleton, isolated from the aerial parts of Tanacetum vulgare. It has the role of metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as peroxol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , sesquiterpene lactone .
The molecule [H][C@]12CC[C@]3([H])[C@](CC1=C)(C2)[C@@H](C(=O)OC)[C@]1([H])[C@@]2(C)[C@@H](O)[C@@H](O)C[C@@]31OC2=O [H][C@]12CC[C@]3([H])[C@](CC1=C)(C2)[C@@H](C(=O)OC)[C@]1([H])[C@@]2(C)[C@@H](O)[C@@H](O)C[C@@]31OC2=O is A gibberellin ester that is the methyl ester of gibberellin A34. Its functional parent is gibberellin A1 methyl ester . It is also related to or classified as lactone  . It is also related to or classified as methyl ester  . It is also related to or classified as gibberellin ester .
The molecule [H][C@]12CC(=C)[C@H](O)CC\C(C)=C\[C@@H](O)[C@]1([H])C(=C)C(=O)O2 [H][C@]12CC(=C)[C@H](O)CC\C(C)=C\[C@@H](O)[C@]1([H])C(=C)C(=O)O2 is A germacrane sesquiterpenoid found Tanacetum vulgare that is tatridin A in which the double bond at position 9-10 has migrated to position 10-14 and in which the hydroxy group at position 1 has epimerised from alpha- to beta-. It has the role of metabolite . It is also related to or classified as diol  .  It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterobicyclic compound , germacrane sesquiterpenoid .
The molecule [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O is A gibberellin ester that is the methyl ester of gibberellin A1. Its functional parent is gibberellin A1 . It is also related to or classified as lactone  . It is also related to or classified as methyl ester  . 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 organic heteropentacyclic compound , gibberellin ester .
The molecule [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O is A gibberellin ester that is the methyl ester of gibberellin A3. Its functional parent is gibberellin A3 . It is also related to or classified as lactone  . It is also related to or classified as methyl ester  . 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 organic heteropentacyclic compound , gibberellin ester .
The molecule COC(=O)c1ccccc1N COC(=O)c1ccccc1N is A benzoate ester that is the methyl ester of anthranilic acid. It has the role of metabolite . It has the role of flavouring agent . Its functional parent is anthranilic acid . It is also related to or classified as benzoate ester .
The molecule [C@@H]1([C@@H]([C@H]([C@@](O[C@@H]1CO)(C2=CC=C(C(=C2)CC=3SC(=CC3)C4=CC=C(C=C4)F)C)[H])O)O)O [C@@H]1([C@@H]([C@H]([C@@](O[C@@H]1CO)(C2=CC=C(C(=C2)CC=3SC(=CC3)C4=CC=C(C=C4)F)C)[H])O)O)O is A C-glycosyl compound that is used (in its hemihydrate form) for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2. It has the role of hypoglycemic agent . It has the role of sodium-glucose transport protein subtype 2 inhibitor .   It is also related to or classified as organofluorine compound  . It is also related to or classified as C-glycosyl compound , thiophenes .
The molecule OCCOc1ccc(cc1)C(\c1ccccc1)=C(\CCCl)c1ccccc1 OCCOc1ccc(cc1)C(\c1ccccc1)=C(\CCCl)c1ccccc1 is an organochlorine compound that is a selective estrogen receptor modulator; used for treatment of dyspareunia. It has the role of antineoplastic agent . It has the role of estrogen receptor modulator . It has the role of anti-inflammatory agent . It is also related to or classified as primary alcohol  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as aromatic ether .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC is the N-hexacosanoyl derivative of isoglobotriaosyl ceramide. It has the role of antigen . It is also related to or classified as alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer  .
The molecule [Na+].COc1c(C)c(C(=O)c2ccc(N)c(c2)C([O-])=O)n2ccccc12 [Na+].COc1c(C)c(C(=O)c2ccc(N)c(c2)C([O-])=O)n2ccccc12 is an organic sodium salt having 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate as the counterion. It has the role of antineoplastic agent . It has the role of fibroblast growth factor receptor antagonist . It is also related to or classified as organic sodium salt .
The molecule CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 is A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and the hydrogen at position 2 on the adenine is replaced by a 4-(2-carboxyethyl)phenethylamino group. It has the role of anti-inflammatory agent . It has the role of adenosine A2A receptor agonist . Its functional parent is adenosine . It is also related to or classified as adenosines , monocarboxylic acid , dicarboxylic acid monoamide .
The molecule [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)CCC[C@@]21OC3=O [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)CCC[C@@]21OC3=O is A gibberellin ester that is the methyl ester of gibberellin A20. Its functional parent is gibberellin A20 . It is also related to or classified as lactone  . It is also related to or classified as methyl ester  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as organic heteropentacyclic compound , gibberellin ester .
The molecule [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)CCC[C@@]21OC3=O [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)CCC[C@@]21OC3=O is A gibberellin ester that is the methyl ester of gibberellin A9. Its functional parent is gibberellin A9 . It is also related to or classified as lactone  . It is also related to or classified as methyl ester  . It is also related to or classified as gibberellin ester .
The molecule CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12 is A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodo-4-aminobenzyl group. Its functional parent is adenosine .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as organoiodine compound  . It is also related to or classified as adenosines .
The molecule CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 is A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group. It has the role of adenosine A3 receptor agonist . Its functional parent is adenosine .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as organoiodine compound  . It is also related to or classified as adenosines .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O is A tripeptide consisting of L-leucyl, L-glutaminyl and L-proline residues joined in sequence. It has the role of metabolite . It is also related to or classified as tripeptide  .
The molecule CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 is an oxopurine that is 7H-xanthine substituted at positions 1 and 3 by propyl groups and at position 8 by a cyclohexyl group. It has the role of EC 3.1.4.* (phosphoric diester hydrolase) inhibitor . It has the role of adenosine A1 receptor antagonist . Its functional parent is 7H-xanthine . It is also related to or classified as oxopurine .
The molecule COC1(COc2ccccc2O1)C1=NCCN1 COC1(COc2ccccc2O1)C1=NCCN1 is A benzodioxine that is idazoxan substituted at position 2 by a methoxy group. It has the role of alpha-adrenergic antagonist . Its functional parent is idazoxan . It is also related to or classified as imidazolines , cyclic ketal , benzodioxine .