anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [NH3+][C@@H](CSCC([O-])=O)C([O-])=O [NH3+][C@@H](CSCC([O-])=O)C([O-])=O is the conjugate base of S-carboxymethyl-L-cysteine having anionic carboxy groups and a protonated amino group; major species at pH 7.3. It is also related to or classified as alpha-amino-acid anion , dicarboxylic acid anion .
The molecule Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1 Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1 is an  imidazolium ion that is imidazolium cation substituted by a bis(4-chlorophenyl)methyl group at position 1 and a 2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 3. It acts as an antagonist of calmodulin, a calcium binding messenger protein. It has the role of calmodulin antagonist . It has the role of apoptosis inducer . It is also related to or classified as imidazolium ion .
The molecule [C@@H]1(CC(C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\CCC=2C(C)(C[C@@H](CC2C)O)C)/C)/C)\C)\C)=C(C1)C)(C)C)O [C@@H]1(CC(C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\CCC=2C(C)(C[C@@H](CC2C)O)C)/C)/C)\C)\C)=C(C1)C)(C)C)O is A carotenol that is 7,8-dihydro-beta,beta-carotene carrying two hydroxy substituents at positions 3 and 3'. It has the role of marine metabolite .  It is also related to or classified as diol  . It is also related to or classified as carotenol .
The molecule COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)/C=C/CO is a dehydrodiconiferyl alcohol that has (2S,3R)-configuration. A natural product isolated from several plant species including Allium sativum and Codonopsis pilosula. It has a role as an antioxidant and a plant metabolite. It is an enantiomer of a (-)-dehydrodiconiferyl alcohol.
The molecule O[Si](O)([O-])[O-] O[Si](O)([O-])[O-] is A divalent inorganic anion obtained by removal of two protons from silicic acid. It is a conjugate acid of hydrogensilicate(3-) . It is also related to or classified as silicate ion , divalent inorganic anion .
The molecule COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O is a member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 6 and a (2-oxo-2H-chromen-7-yl)oxy group at position 3. It has a role as a metabolite, an antiviral agent and an antineoplastic agent. It is a hydroxycoumarin and an aromatic ether. It derives from a coumarin.
The molecule COCC(=O)N1C[C@H]2[C@@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4CC4 COCC(=O)N1C[C@H]2[C@@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4CC4 is (6R,7S,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O1C(C=CC=2C=3N(C4=C(C(=O)C3C(O)=CC12)C=CC=C4OC)C)(C)C O1C(C=CC=2C=3N(C4=C(C(=O)C3C(O)=CC12)C=CC=C4OC)C)(C)C is 5-Methoxynoracronycine. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule CC(C)(C(=O)C(=O)[O-])O is a 2-oxo monocarboxylic acid anion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a 3-hydroxy-3-methyl-2-oxobutanoic acid.
The molecule CC(C)=C[C@H]1[C@@H](C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C CC(C)=C[C@H]1[C@@H](C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C is (1R)-cis-imiprothrin. Its functional parent is (+)-cis-chrysanthemic acid .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as cyclopropanecarboxylate ester .
The molecule O(O)C(CCCCC)/C=C/C=C\C/C=C\CCCCC(O)=O O(O)C(CCCCC)/C=C/C=C\C/C=C\CCCCC(O)=O is 13S-HpOTrE(gamma). It is also related to or classified as hydroperoxy polyunsaturated fatty acid  . It is also related to or classified as octadecatrienoic acid .
The molecule CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)Br)cc1 CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)Br)cc1 is an aromatic ether the is the 3-phenoxybenzyl ether of 2-(4-difluorobromomethoxyphenyl)-2-methylpropanol. It has the role of pyrethroid ether insecticide . It has the role of pyrethroid ether acaricide . Its functional parent is 4-tert-butylphenol .  It is also related to or classified as organobromine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as aromatic ether .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3OC(=CC(=O)C3C(O)=C2C)C4=CC=CC=C4)C)COC(=O)CC(O)(CC(O)=O)C O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3OC(=CC(=O)C3C(O)=C2C)C4=CC=CC=C4)C)COC(=O)CC(O)(CC(O)=O)C is Matteuorienate C. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O1[C@@H](O[C@H]2[C@H](OC=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)C(O)C(OC(=O)/C=C/C5=CC=CC=C5)[C@H](O)[C@H]1CO O1[C@@H](O[C@H]2[C@H](OC=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)C(O)C(OC(=O)/C=C/C5=CC=CC=C5)[C@H](O)[C@H]1CO is Epicatechin 3-O-(3-trans-cinnamoyl-beta-D-allopyranoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OC1C2(C3C(C4C(C(CC4)C(C(O)C/C(/C)=C(/C)\C(OC5OC(C(O)C(O)C5OC6OC(C(O)C(O)C6O)CO)CO)=O)C)(CC3)C)CC=C2CC(OC7OC(C(O)C(O)C7O)CO)C1)C OC1C2(C3C(C4C(C(CC4)C(C(O)C/C(/C)=C(/C)\C(OC5OC(C(O)C(O)C5OC6OC(C(O)C(O)C6O)CO)CO)=O)C)(CC3)C)CC=C2CC(OC7OC(C(O)C(O)C7O)CO)C1)C is 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester. It is also related to or classified as steroid saponin .
The molecule CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1 CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1 is fluvalinate. It has the role of agrochemical . It has the role of pyrethroid ester insecticide . It has the role of pyrethroid ester acaricide . Its functional parent is valine . It is also related to or classified as nitrile  . It is also related to or classified as organochlorine insecticide , aromatic ether , organochlorine acaricide , organofluorine insecticide , organofluorine acaricide , monochlorobenzenes , (trifluoromethyl)benzenes .
The molecule [H+].[H+].Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 [H+].[H+].Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 is A doubly-charged organic cation obtained by protonation of clobenpropit. It is a conjugate acid of clobenpropit . It is also related to or classified as organic cation .
The molecule CC[NH+]=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C14.[Cl-] is an iminium salt composed of 4-{[4-(dimethylamino)phenyl][4-(ethylamino)naphthalen-1-yl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium and chloride ions in a 1:1 ratio. It has a role as a histological dye and a fluorochrome. It is an iminium salt and an organic chloride salt. It contains a victoria blue R(1+).
The molecule CC(C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCC(=O)N1 is a dipeptide obtained by formal condensation of the carboxy group of pyroglutamic acid with the amino group of valine. It derives from a 5-oxo-L-proline and a L-valine. It is a conjugate base of a pyroglutamylvalinate.
The molecule C1=CC=C2C(=C1)C=CC=C2O[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 has been replaced by a 1-naphthyl group. It has a role as a Brassica napus metabolite and an algal metabolite. It is a beta-D-glucoside and a member of naphthalenes. It derives from a 1-naphthol.
The molecule COc1cc2oc(C)cc(=O)c2c(O)c1OC COc1cc2oc(C)cc(=O)c2c(O)c1OC is A member of the class of chromones that is chromone substituted by a hydroxy group at position 5, a methyl group at position 2 and methoxy groups at positions 6 and 7 respectively. It has been isolated from Pisonia aculeata. It has the role of metabolite . It has the role of plant metabolite . Its functional parent is chromone .  It is also related to or classified as phenols  . It is also related to or classified as chromones , aromatic ether .
The molecule O=C1C=C2[C@](O)(CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(C=5NC=6C=CC=CC6C5C4)C)C)O[C@@H]1C(O)(C)C O=C1C=C2[C@](O)(CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(C=5NC=6C=CC=CC6C5C4)C)C)O[C@@H]1C(O)(C)C is 7a-Hydroxypaxilline. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule OP(O)(=O)Oc1ccccc1 OP(O)(=O)Oc1ccccc1 is an aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol. It has the role of mouse metabolite . It is a conjugate acid of phenyl phosphate(2-) . It is also related to or classified as aryl phosphate .
The molecule CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC)C3=CC=C(C=C3)F CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC)C3=CC=C(C=C3)F is 1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(methylamino)-2-oxoethyl] ester. It is also related to or classified as pyrazoles , ring assembly .
The molecule C(C(C(=O)[O-])OP(=O)([O-])[O-])O is a phosphoglycerate obtained by deprotonation of the carboxy and phosphate OH groups of 2-phosphoglyceric acid. It has a role as a mouse metabolite. It is a conjugate base of a 2-phosphoglyceric acid.
The molecule C/C=C\\1/C[NH+]2CC[C@@H]1[C@@H](C3=C(CC2)C4=CC=CC=C4N3)C(=O)OC is an ammonium ion resulting from the protonation of the tertiary amino group of (16S)-deshydroxymethyl-stemmadenine. It is a conjugate acid of a (16S)-deshydroxymethyl-stemmadenine.
The molecule [H][C@]12C[C@]3(C)C([C@@H](O)C1=C(C)C(=O)O2)=C(C=O)[C@@]1([H])C[C@@]31[H] [H][C@]12C[C@]3(C)C([C@@H](O)C1=C(C)C(=O)O2)=C(C=O)[C@@]1([H])C[C@@]31[H] is Chlorajapolide A, (rel)-. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.O.[Br-] is the monohydrate form of ipratropium bromide. An anticholinergic drug, ipratropium bromide blocks the muscarinic cholinergic receptors in the smooth muscles of the bronchi in the lungs. This opens the bronchi, so providing relief in chronic obstructive pulmonary disease and acute asthma. It has a role as a muscarinic antagonist and a bronchodilator agent. It contains an ipratropium bromide.
The molecule Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@@H](C=C3)C(O)=O)c2n1 Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@@H](C=C3)C(O)=O)c2n1 is A monocarboxylic acid oxidation product of abacavir, in which the C-5' hydroxymethyl group has been oxidised to a carboxy group. One of the two major metabolites of abacavir in humans (the other is the 5'-glucuronide, CHEBI:64189). It has the role of metabolite . Its functional parent is abacavir . It is also related to or classified as monocarboxylic acid .
The molecule CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C is a ketoretinoic glucuronide obtained by the glycosylation of the carboxy group of all-trans-4-oxoretinoic acid with beta-glucuronic acid. It is a ketoretinoic acid glucuronide, a beta-D-glucosiduronic acid and an enone. It derives from an all-trans-4-oxoretinoic acid. It is a conjugate acid of a 1-O-(4-oxoretinoyl)-beta-D-glucuronate.
The molecule CC(C)C(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)C=C(O2)C(C)(C)O is a furanocoumarin that is 2H-furo[2,3-h]chromen-2-one substituted by a hydroxy group at position 5, 2-hydroxypropan-2-yl group at position 8, a 2-methylpropanoyl group at position 6 and a phenyl group at position 4. Isolated from the bark of Ochrocarpos punctatus, it exhibits cytotoxicity against the A2780 ovarian cancer cell line. It has a role as a metabolite and an antineoplastic agent. It is a furanocoumarin, a member of phenols and a tertiary alcohol.
The molecule COC(=O)[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@@]3(CC[C@@]12C)C(O)=O COC(=O)[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@@]3(CC[C@@]12C)C(O)=O is A  pentacyclic triterpenoid that is the 23-monomethyl ester of gypsogenic acid. It has been isolated from Pisonia aculeata. It has the role of metabolite . It has the role of plant metabolite . Its functional parent is gypsogenic acid .   It is also related to or classified as carboxylic ester  . It is also related to or classified as hydroxy carboxylic acid , pentacyclic triterpenoid .
The molecule CC1=CC2=CC(=O)C=C3C2=C(N1CCCC(=O)OC)C=C(O3)C is an isoquinoline alkaloid that is pyrano[2,3,4-ij]isoquinolin-8(4H)-one substituted by methyl groups at positions 2 and 5 and a 4-methoxy-4-oxobutyl group at position 4. It is isolated from the leaves of Cassia siamea and exhibits antiplasmodial activity against Plasmodium falciparum. It has a role as an antimalarial and a plant metabolite. It is an isoquinoline alkaloid, a member of isoquinolines, an organic heterotricyclic compound, an enone and a methyl ester.
The molecule CCC[C@H]1OC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](OC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)C1(C)C)C(C)C)C(C)C)[C@H](C)Cc1ccccc1 CCC[C@H]1OC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](OC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)C1(C)C)C(C)C)C(C)C)[C@H](C)Cc1ccccc1 is Pitiprolamide. It has the role of metabolite . It is also related to or classified as cyclodepsipeptide  .
The molecule CC(C)CCCCCCCCC/C=C/[C@H]([C@H](CO)N)O is a sphingoid that is hexadecasphing-4-enine substituted at position 15 by a methyl group. It is a sphingoid and an aminodiol. It is a conjugate base of a 15-methylhexadecasphing-4-enine(1+).
The molecule O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]2[C@H](O)[C@@H](O)C(O[C@@H]2CO)O)CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]2[C@H](O)[C@@H](O)C(O[C@@H]2CO)O)CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO is an amino trisaccharide consisting of 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose and D-glucopyranose residues joined in sequence by (1->6) and (1->4) glycosidic bonds. Its functional parent is beta-D-GlcpNAc-(1->6)-beta-D-Galp . Its functional parent is lactose . It is also related to or classified as acetamides , amino trisaccharide .
The molecule C/C=C(/C)\\C(=O)O[C@H]1[C@H]2[C@H]([C@@H](C(=O)[C@H](C[C@@H](C[C@]1(C)O)O)C)OC(=O)C(C)C)C(=C)C(=O)O2 is a germacranolide isolated from the aerial parts of Carpesium divaricatum. It exhibits cytotoxicity against the human tumor cells, A-549 (nonsmall cell lung), SK-OV-3 (ovary), SK-MEL-2 (skin), XF-498 (central nervous system) and HCT-15 (colon). It has a role as a metabolite and an antineoplastic agent. It is a cyclic ketone, a diol, a secondary alcohol, a tertiary alcohol, an enoate ester and a germacranolide.
The molecule COc1ccc(CCNC(=O)\C=C\c2ccccc2)cc1 COc1ccc(CCNC(=O)\C=C\c2ccccc2)cc1 is A member of the class of cinnamamides that is trans-cinnamamide substituted by a 2-(4-methoxyphenyl)ethyl group at the nitrogen atom. It has been isolated from Pisonia aculeata. It has the role of metabolite . It has the role of plant metabolite . Its functional parent is trans-cinnamamide . It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides , monomethoxybenzene .
The molecule [H][C@@]12Cc3ccc4OCOc4c3C[N@+]1(C)CCc1cc3OCOc3cc21 [H][C@@]12Cc3ccc4OCOc4c3C[N@+]1(C)CCc1cc3OCOc3cc21 is (S)-cis-N-methylstylopine. Its functional parent is (S)-stylopine . It is also related to or classified as an (S)-cis-N-methyl-7,8,13,14-tetrahydroprotoberberine  .   It is also related to or classified as quaternary ammonium ion  . It is also related to or classified as organic heterohexacyclic compound , berberine alkaloid .
The molecule CCCCN1CCCC1CNC(=O)c1cc(C#N)c2ccccc2c1OC CCCCN1CCCC1CNC(=O)c1cc(C#N)c2ccccc2c1OC is A naphthalenecarboxamide resulting from the formal condensation of the carboxylic acid group of 4-cyano-1-methoxynaphthalene-2-carboxylic acid with the primary amino group of 1-(1-butylpyrrolidin-2-yl]methanamine. It is a highly potent, competitive, preferential dopamine D3 receptor antagonist, centrally active upon systemic administration. It has the role of dopaminergic antagonist . It is also related to or classified as nitrile  . It is also related to or classified as aromatic ether , pyrrolidines , naphthalenecarboxamide , tertiary amino compound .
The molecule CC(C)(C=C)C1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)OC)O)O is a 7-hydroxyflavonol that is kaempferide substituted by a 1,1-dimethylallyl group at position 8. It has a role as a plant metabolite. It is a 7-hydroxyflavonol, a monomethoxyflavone and a trihydroxyflavone. It derives from a kaempferide.
The molecule C[C@@H]1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]([C@@H]1C)OC(=O)/C=C/C5=CC=CC=C5)OCO4)OC)O)OC)OC is a lignan isolated from the roots and stems of Kadsura longipedunculata and has been shown to exhibit inhibitory activity against HIV-1 protease. It has a role as a metabolite and a HIV protease inhibitor. It is a cinnamate ester, an aromatic ether, a lignan and an organic heterotetracyclic compound.
The molecule [V+5] [V+5] is vanadium(5+). It is also related to or classified as monoatomic pentacation  . It is also related to or classified as vanadium cation .
The molecule CCC1(CC2=C(CS1)SC3=C2C(=O)NC(=O)N3)C CCC1(CC2=C(CS1)SC3=C2C(=O)NC(=O)N3)C is 6-ethyl-6-methyl-5,8-dihydro-1H-thiopyrano[2,3]thieno[2,4-b]pyrimidine-2,4-dione. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CCCCCCCC(=O)N[C@H](C(=O)O)O is an N-acyl-(2S)-hydroxyglycine resulting from the formal condensation of octanoic acid (caprylic acid) with the amino group of (2S)-hydroxyglycine. It derives from an octanoic acid. It is a conjugate acid of a N-octanoyl-(2S)-hydroxyglycinate.
The molecule [H][C@@]12NC(=O)c3c(O)c4OCOc4cc3C1=C[C@H](O)[C@@H](O)[C@H]2O [H][C@@]12NC(=O)c3c(O)c4OCOc4cc3C1=C[C@H](O)[C@@H](O)[C@H]2O is Narciclasine. It has the role of metabolite . It is also related to or classified as phenanthridines .
The molecule C(C(=O)[C@@H](C(=O)O)O)O is a ketoaldonic acid that is butyric acid carrying an oxo substituent at position 3 as well as two hydroxy substituents at positions 2 and 4 (the S-enantiomer). It is a ketoaldonic acid, a dihydroxy monocarboxylic acid and a 3-oxo monocarboxylic acid. It derives from a butyric acid. It is a conjugate acid of a (S)-2,4-dihydroxy-3-oxobutanoate. It is an enantiomer of a (R)-2,4-dihydroxy-3-oxobutanoic acid.
The molecule COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1Cl COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1Cl is Griseophenone B. It is a conjugate acid of griseophenone B(2-) . It is also related to or classified as benzophenones .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@@H](CO2)C)C(=O)C3=CC=CC=N3)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@@H](CO2)C)C(=O)C3=CC=CC=N3)C)OC)C is N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1C(=NC2=C(N1)N=C(NC2=O)N)CNC3=CC(=C(C=C3)C(=O)O)O is a member of the class of pteroic acids that is 7,8-dihydropteroic acid carrying a phenolic hydroxy substituent at the position ortho to the carboxylic acid function. It has a role as a bacterial xenobiotic metabolite. It is a member of pteroic acids and a monohydroxybenzoic acid. It derives from a 7,8-dihydropteroic acid.
The molecule Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3)c2n1 Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3)c2n1 is A glucosiduronic acid derivative formed by linkage of beta-D-glucosiduronic acid with the 5'-oxygen of abacavir. One of the two major metabolites of abacavir in humans (the other is the 5'-carboxylic acid, CHEBI:64192). It has the role of metabolite . Its functional parent is abacavir . It is also related to or classified as glucosiduronic acid .
The molecule CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=C3OC)C CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=C3OC)C is N-[(4S,7S,8R)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1C(OCC1)OCCOCCOC O1C(OCC1)OCCOCCOC is A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by a 2-(2-methoxyethoxy)ethoxy group.   It is also related to or classified as ortho ester  . It is also related to or classified as dioxolane , diether .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](CO)COP(=O)([O-])[O-])O)O)O)O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 2-O-(alpha-D-glucosyl)-sn-glycerol 3-phosphate; major species at pH 7.3. It is a conjugate base of a 2-O-(alpha-D-glucosyl)-sn-glycerol 3-phosphate.
The molecule CC1=C2[C@@]([C@@H](C(=N2)C=C3[C@@]([C@@H](C(=CC4=NC(=CC5=C(C(=C1[N-]5)CC(=O)[O-])CCC(=O)[O-])C(=C4CC(=O)[O-])CCC(=O)[O-])[N-]3)CCC(=O)[O-])(C)CC(=O)[O-])CCC(=O)[O-])(C)CC(=O)[O-].[Co] is a precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt(II)-factor III; major species at pH 7.3. It is a conjugate base of a cobalt(II)-factor III.
The molecule COc1c(O)c(C)c2occ(-c3ccccc3O)c(=O)c2c1O COc1c(O)c(C)c2occ(-c3ccccc3O)c(=O)c2c1O is A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6, a methyl group at position 8 and hydroxy groups at positions 5, 7 and 2'. It has been isolated from Pisonia aculeata. It has the role of metabolite . It has the role of plant metabolite . Its functional parent is isoflavone . It is also related to or classified as 2'-hydroxyisoflavones  .  It is also related to or classified as 7-hydroxyisoflavones  . It is also related to or classified as methoxyisoflavone .
The molecule CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O)O[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCC is a lipid A derivative, comprising lipid A glycosylated with two 3-deoxy-D-manno-octulosonic acid (KDO) residues and having the dodecanoyl group replaced by palmitoleoyl. It is a member of lipid As and a tetradecanoate ester. It is a conjugate acid of a (KDO)2-(palmitoleoyl-myristoyl)-lipid A(6-).
The molecule C=C/C=C/C(=O)O is a pentadienoic acid with the double bonds at positions 2 and 4. It is a pentadienoic acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a penta-2,4-dienoate.
The molecule [U+6] [U+6] is uranium(6+). It is also related to or classified as monoatomic hexacation  . It is also related to or classified as uranium cation .
The molecule CC1=C(C(=NN1C(C)(C)C)C)C=NOC(=O)NC2=CC=C(C=C2)OC CC1=C(C(=NN1C(C)(C)C)C)C=NOC(=O)NC2=CC=C(C=C2)OC is N-(4-methoxyphenyl)carbamic acid [(1-tert-butyl-3,5-dimethyl-4-pyrazolyl)methylideneamino] ester. It is also related to or classified as substituted aniline , methoxybenzenes .
The molecule COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O is a flavonolignan isolated from milk thistle, Silybum marianum, that has been shown to exhibit antioxidant and antineoplastic activities. It has a role as an antioxidant, an antineoplastic agent, a hepatoprotective agent and a plant metabolite. It is a flavonolignan, a polyphenol, an aromatic ether, a benzodioxine and a secondary alpha-hydroxy ketone.
The molecule O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]1Cc1c[nH]c2ccccc12 O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]1Cc1c[nH]c2ccccc12 is A member of the class of  2,5-diketopiperazines that is piperazine-2,5-dione substituted by 1H-indol-3-ylmethyl groups at positions 3 and 6 respectively. Isolated from  Penicillium species, it exhibits antibacterial activity. It has the role of antibacterial agent . It has the role of Penicillium metabolite .  It is also related to or classified as 2,5-diketopiperazines  . It is also related to or classified as indole alkaloid .