anonymous041/ChEBI-Augmented huggingface dataset:
The molecule N1(C=C(C2=C1C=CC=C2)C(=O)C3=C(C=CC=C3)I)CCCCCF N1(C=C(C2=C1C=CC=C2)C(=O)C3=C(C=CC=C3)I)CCCCCF is A member of the class of indoles that is 1H-indole which is substituted at position 1 by a 5-fluoropentyl group and a position 3 by an o-fluorobenzoyl group. It is a selective agonist for the CB1 cannabinoid receptor; Ki values for the CB1 and CB2 receptors are 0.08 and 1.44 nM, respectively. It has the role of cannabinoid receptor agonist .  It is also related to or classified as organoiodine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as indoles , synthetic cannabinoid , aromatic ketone .
The molecule COc1c(O)ccc2c(OC)c3ccoc3nc12 COc1c(O)ccc2c(OC)c3ccoc3nc12 is Haplopine. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule O[C@H]1[C@@H](O)C(O[C@@H]1COP([O-])([O-])=O)OP([O-])([O-])=O O[C@H]1[C@@H](O)C(O[C@@H]1COP([O-])([O-])=O)OP([O-])([O-])=O is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of D-ribose 1,5-diphosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC(CC[C@@H](C(=O)O)N)CN)O)O)O)CO O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC(CC[C@@H](C(=O)O)N)CN)O)O)O)CO is A 5-glycosyloxy-L-lysine in which the glycosyl fragment is specified as beta-D-galactose. It is also related to or classified as 5-glycosyloxy-L-lysine .
The molecule C[C@@H]1O[C@@H](OCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside that is oscr#16 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is oscr#16 . Its functional parent is (3R)-3,10-dihydroxydecanoic acid . It is a conjugate acid of bhos#16(1-) . It is also related to or classified as monocarboxylic acid , 3-hydroxy carboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule C(CCCC(C(=C)C(O)=O)C(O)=O)(OCC)=O C(CCCC(C(=C)C(O)=O)C(O)=O)(OCC)=O is A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 3-(ethoxycarbonyl)propyl group. The (-)-isomer, isolated from Aspergillus niger FKI-2342. It has the role of Aspergillus metabolite .  It is also related to or classified as ethyl ester  . It is also related to or classified as tensyuic acid , dicarboxylic acid .
The molecule C[C@](O)(C[C@H](N)C(O)=O)C(O)=O C[C@](O)(C[C@H](N)C(O)=O)C(O)=O is A 4-hydroxy-4-methyl-L-glutamic acid that has S-configuration. It is a conjugate acid of (2S,4S)-4-hydroxy-4-methylglutamate(1-) . It is also related to or classified as 4-hydroxy-4-methyl-L-glutamic acid  .
The molecule FC([C@](O)(CC[C@H]([C@@H]1[C@@]2([C@@H](CC1)/C(/CCC2)=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)C)C)C)(C)C FC([C@](O)(CC[C@H]([C@@H]1[C@@]2([C@@H](CC1)/C(/CCC2)=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)C)C)C)(C)C is (24r)-25-fluoro-1alpha,24-dihydroxy-24-methylvitamin d3 / (24r)-25-fluoro-1alpha,24-dihydroxy-24-methylcholecalciferol. It is also related to or classified as organic molecular entity .
The molecule CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC=C(C=C4)N5C=CC=C5)C6=CN=CC=C6 is an imidazoquinoline that is 1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one which is substituted at positions 1, 3, and 8 by by p-(pyrrol-1-yl)phenyl, methyl, and pyridin-3-yl group, respectively. A potent and specific inhibitor of Target Of Rapamycin Complex 2 (TORC2). It has a role as a protein kinase inhibitor. It is an imidazoquinoline, a member of pyrroles, a member of pyridines and a member of phenylureas.
The molecule [Nd+3] [Nd+3] is neodymium(3+). It is also related to or classified as inorganic ion , neodymium molecular entity .
The molecule [Na+].[H]C(=C([H])C([H])=C([H])C1=[N+](CCCCS([O-])(=O)=O)c2ccc3ccccc3c2C1(C)C)C([H])=C([H])C([H])=C1N(CCCCS([O-])(=O)=O)c2ccc3ccccc3c2C1(C)C [Na+].[H]C(=C([H])C([H])=C([H])C1=[N+](CCCCS([O-])(=O)=O)c2ccc3ccccc3c2C1(C)C)C([H])=C([H])C([H])=C1N(CCCCS([O-])(=O)=O)c2ccc3ccccc3c2C1(C)C is indocyanine green.   It is also related to or classified as 1,1-diunsubstituted alkanesulfonate  . It is also related to or classified as cyanine dye , benzoindole .
The molecule N1=C(C(=NC(=C1Cl)N(C)CCC)N)C(=O)NC(N)=N N1=C(C(=NC(=C1Cl)N(C)CCC)N)C(=O)NC(N)=N is A member of the class of pyrazines that is amiloride in which the primary amino group adjacent to the chloro substiuent has been substituted by a methyl group and a propyl group. It has the role of sodium channel blocker . Its functional parent is amiloride .  It is also related to or classified as organochlorine compound  . It is also related to or classified as guanidines , pyrazines , primary amino compound , tertiary amino compound .
The molecule O1C2=C(C(OC)=C(OC)C=C2)C(=O)C=C1C3=CC(OC)=CC=C3 O1C2=C(C(OC)=C(OC)C=C2)C(=O)C=C1C3=CC(OC)=CC=C3 is 3',5,6-Trimethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [NH3+]C(CC(=O)c1cccc2oc3cc(=O)c4nc(cc(O)c4c3nc12)C([O-])=O)C([O-])=O [NH3+]C(CC(=O)c1cccc2oc3cc(=O)c4nc(cc(O)c4c3nc12)C([O-])=O)C([O-])=O is conjugate base of xanthommatin having both carboxy groups deprotonated and the amino group protonated; major species at pH 7.3. It is also related to or classified as amino-acid anion .
The molecule Oc1ccc2sc(=O)oc2c1 Oc1ccc2sc(=O)oc2c1 is A 1,3-benzoxathiole having a hydroxy substituent at the 6-position. It has the role of antiseborrheic . It is also related to or classified as benzoxathiole .
The molecule COc1ccc2c(OC)c3[C@H]4[C@@H](Oc3nc2c1OC)[C@@H]1[C@H]4c2c(OC1(C)C)c1ccccc1[nH]c2=O COc1ccc2c(OC)c3[C@H]4[C@@H](Oc3nc2c1OC)[C@@H]1[C@H]4c2c(OC1(C)C)c1ccccc1[nH]c2=O is Haplodimerine. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule Oc1ccc(O)c2C(=O)C=CC(=O)c12 Oc1ccc(O)c2C(=O)C=CC(=O)c12 is A naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 5 and 8 are replaced by hydroxy groups. It has the role of geroprotector . It has the role of acaricide . It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of plant metabolite . It is also related to or classified as hydroxy-1,4-naphthoquinone .
The molecule C[C@@H]1O[C@@H](OCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside that is oscr#10 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is oscr#10 . Its functional parent is (3R)-3,9-dihydroxynonanoic acid . It is a conjugate acid of bhos#10(1-) . It is also related to or classified as monocarboxylic acid , 3-hydroxy carboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule C(CCC(C(=C)C(O)=O)C(O)=O)CCC(OC)=O C(CCC(C(=C)C(O)=O)C(O)=O)CCC(OC)=O is A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 5-(methoxycarbonyl)pentyl group. The (-)-isomer, isolated from Aspergillus niger FKI-2342. It has the role of Aspergillus metabolite .  It is also related to or classified as methyl ester  . It is also related to or classified as tensyuic acid , dicarboxylic acid .
The molecule [H]SSSS[S-] [H]SSSS[S-] is pentasulfanide. It is a conjugate acid of pentasulfide(2-) . It is also related to or classified as sulfur hydride .
The molecule CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCCCN CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCCCN is an analogue of pelitinib where the 4-(dimethylamino)but-2-enoyl group is replaced by 6-aminohexanoyl. Its functional parent is pelitinib . It is also related to or classified as nitrile  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as organochlorine compound  . It is also related to or classified as aminoquinoline  . It is also related to or classified as organofluorine compound  .
The molecule [Sb+3] [Sb+3] is antimony(3+). It is also related to or classified as monoatomic trication  . It is also related to or classified as elemental antimony .
The molecule O=C1N2[C@H](C(=O)N[C@@H](C(=O)N3[C@H](C(N[C@H]1CC(C)C)=O)C[C@@H](O)C3)CC(C)C)C[C@H](C2)O O=C1N2[C@H](C(=O)N[C@@H](C(=O)N3[C@H](C(N[C@H]1CC(C)C)=O)C[C@@H](O)C3)CC(C)C)C[C@H](C2)O is Cyclo-(L-leucyl-trans-4-hydroxy-L-prolyl-D-leucyl-trans-4-hydroxy-L-proline). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(O[C@@H]7OC(C)(C)[C@H](OC)[C@@H](OC(=O)c8ccc(C)[nH]8)[C@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(O[C@@H]7OC(C)(C)[C@H](OC)[C@@H](OC(=O)c8ccc(C)[nH]8)[C@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C is A hydroxycoumarin antibiotic that is obtained from Streptomyces rishiriensis and exhibits potent antibacterial and anticancer activity. It has the role of antimicrobial agent . It has the role of antineoplastic agent . It has the role of topoisomerase IV inhibitor . It has the role of DNA synthesis inhibitor . It has the role of Hsp90 inhibitor . It has the role of bacterial metabolite .  It is also related to or classified as glycoside  . It is also related to or classified as coumarins , pyrroles , heteroarenecarboxylate ester , aromatic amide .
The molecule CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(C)C)C(=O)O)N is an oligopeptide comprising of nine amino acids with sequence L-Ile-L-Ala-L-Arg-L-Arg-L-His-L-Pro-L-Tyr-L-Phe-L-Leu. It was originally isolated from pepsin-treated human plasma and shares some sequence homology with the C-terminal end of neurotensin. It is a potent histamine releaser and may serve as an inflammatory mediator. It has a role as a human metabolite and a histamine releasing agent. It is a conjugate base of a kinetensin(2+).
The molecule [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C[C@@]2([H])[C@H](O)C=C(CO)[C@@]12[H] [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C[C@@]2([H])[C@H](O)C=C(CO)[C@@]12[H] is aucubin. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC(O)CCC=CCC=CCC=CCC=CCC O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC(O)CCC=CCC=CCC=CCC=CCC is (3R,6Z,9Z,12Z,15Z)-3-hydroxyoctadecatetraenoyl-CoA(4-). It is also related to or classified as long-chain (R)-3-hydroxyacyl-CoA(4-)  . It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  .
The molecule N([C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(CF)=O)CC(=O)OC)=O)C(C)C)=O)CCC(OC)=O)=O)CC(OC)=O)C(OCC=1C=CC=CC1)=O N([C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(CF)=O)CC(=O)OC)=O)C(C)C)=O)CCC(OC)=O)=O)CC(OC)=O)C(OCC=1C=CC=CC1)=O is A tetrapeptide consisting of Fmoc-L-aspartic acid 4-methyl ester, methyl L-alpha-glutamic acid 5-methyl ester, L-valine and the fluoromethyl ketone derived from the 1-carboxy group of L-aspartic acid 4-methyl ester coupled in sequence. It is a specific, irreversible caspase-3 inhibitor that also shows potent inhibition of caspase-6, caspase-7, caspase-8, and caspase-10. It has the role of EC 3.4.22.56 (caspase-3) inhibitor . It has the role of neuroprotective agent . It has the role of apoptosis inhibitor . It is also related to or classified as tetrapeptide  .
The molecule O1C2=C(C(OC)=C(OC)C=C2)C(=O)C=C1C=3C(OC)=CC=CC3 O1C2=C(C(OC)=C(OC)C=C2)C(=O)C=C1C=3C(OC)=CC=CC3 is 2',5,6-Trimethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C1=CC(=CC=C1CSC(=NC2=C(C=C(C=C2)Cl)Cl)CN3C=NC=N3)Cl is a member of the class of imidothioates that is the S-4-chlorobenzyl thioester of N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioic acid. Used to control a range of fungal diseases affecting fruit, vegetables, turf and ornamentals. It has a low mammalian toxicity and shows a moderate level of toxicity to fish, daphnia and earthworms but is relatively non-toxic to honey bees, birds and algae. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a dichlorobenzene, a member of triazoles, a member of monochlorobenzenes, an imidothioate, a conazole fungicide and a triazole fungicide.
The molecule [H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C [H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C is the 17-O-propionate ester of clobetasol. A potent corticosteroid, it is used to treat various skin disorders, including exzema and psoriasis. It has the role of anti-inflammatory drug . Its functional parent is clobetasol . Its functional parent is propionic acid .  It is also related to or classified as 11beta-hydroxy steroid  .   It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 20-oxo steroid , fluorinated steroid , chlorinated steroid .
The molecule [H][C@@]12C[C@H]3[C@H](CC)[C@@H](O)N1[C@H]1C[C@@]4([C@H](O)C31)c1ccccc1N(C)[C@@]24[H] [H][C@@]12C[C@H]3[C@H](CC)[C@@H](O)N1[C@H]1C[C@@]4([C@H](O)C31)c1ccccc1N(C)[C@@]24[H] is A monoterpenoid indole alkaloid that consists of ajmalan substituted at positions 17 and 21 by hydroxy groups.  It is also related to or classified as hemiaminal  . It is also related to or classified as monoterpenoid indole alkaloid .
The molecule C[C@H](CCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is an (omega-1)-hydroxy fatty acid ascaroside that is ascr#38 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#38 . Its functional parent is (3R,20R)-3,20-dihydroxyhenicosanoic acid . It is a conjugate acid of bhas#38(1-) . It is also related to or classified as monocarboxylic acid , 3-hydroxy carboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .
The molecule C(CCCC(C(=C)C(O)=O)C(OC)=O)(OC)=O C(CCCC(C(=C)C(O)=O)C(OC)=O)(OC)=O is A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 3-(methoxycarbonyl)propyl group and in which the non-conjugated carboxy group has been converted to the corresponding methyl ester. The (+)-isomer, isolated from Aspergillus niger FKI-2342. It has the role of Aspergillus metabolite .  It is also related to or classified as methyl ester  . It is also related to or classified as tensyuic acid .
The molecule NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 is bisindolylmaleimide III. It has the role of EC 2.7.11.13 (protein kinase C) inhibitor . Its functional parent is maleimide . It is also related to or classified as indoles , maleimides .
The molecule C([C@H](C(=O)O)[NH3+])S is the D-enantiomer of cysteinium. It has a role as a fundamental metabolite. It is a conjugate acid of a D-cysteine and a D-cysteine zwitterion. It is an enantiomer of a L-cysteinium.
The molecule Oc1cc(cc(Oc2c(O)c(O)c(O)cc2C(=O)O[C@H]2O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c4-c4c(O)c(O)c(O)cc4C(=O)O[C@H]3[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(O)c(O)c(O)cc4C(=O)O[C@@H]23)c1O)C(=O)O[C@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12 Oc1cc(cc(Oc2c(O)c(O)c(O)cc2C(=O)O[C@H]2O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c4-c4c(O)c(O)c(O)cc4C(=O)O[C@H]3[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(O)c(O)c(O)cc4C(=O)O[C@@H]23)c1O)C(=O)O[C@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12 is A dimeric hydrolysable tannin in which 2 moles of potentillin monomer are linked via a dehydrogalloyl group; an antitumor tannin of Agrimonia pilosa Ledeb., which induces interleukin-1. It is also related to or classified as tannin .
The molecule S(OC1=C(OC=2C(C1=O)=C(O)C=C(OC)C2)C3=CC=C(O)C=C3)(O)(=O)=O S(OC1=C(OC=2C(C1=O)=C(O)C=C(OC)C2)C3=CC=C(O)C=C3)(O)(=O)=O is Rhamnocitrin 3-O-sulfate. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C(=O)(O)[C@H](N)CC(C)(C)O C(=O)(O)[C@H](N)CC(C)(C)O is the D-enantiomer of 4-hydroxyleucine. It is also related to or classified as 4-hydroxyleucine  . It is also related to or classified as D-leucine derivative .
The molecule C[C@H](CCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is an (omega-1)-hydroxy fatty acid ascaroside that is ascr#36 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#36 . Its functional parent is (3R,19R)-19-dihydroxyicosanoic acid . It is a conjugate acid of bhas#36(1-) . It is also related to or classified as monocarboxylic acid , 3-hydroxy carboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .
The molecule [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C([O-])=O [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C([O-])=O is A cephalosporin carboxylic acid anion having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups, formed by proton loss from the carboxy group of the cephalosporin cefotaxime. It is also related to or classified as cephalosporin carboxylic acid anion .
The molecule COc1cc(O)cc2cc3OC(C)(O)CC(=O)c3c(O)c12 COc1cc(O)cc2cc3OC(C)(O)CC(=O)c3c(O)c12 is A naphtho-gamma-pyrone that is 2,3-dihydro-4H-benzo[g]chromen-4-one bearing a methyl substituent at position 2, a methoxy substituent at position 6 and three hydroxy substituents at positions 2, 5 and 8. It has the role of marine metabolite . It has the role of Aspergillus metabolite . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , cyclic hemiketal , heptaketide , naphtho-gamma-pyrone .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O[C@@H]5[C@@H]([C@H](O[C@H]5N6C=NC7=C(N=CN=C76)N)COP(=O)(O)OP(=O)(O)OC[C@@H]8[C@H]([C@H]([C@@H](O8)O[C@@H]9[C@@H]([C@H](O[C@H]9N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O)O)O)O)O)O)O)N is a biomacromolecule that is composed of ADP-D-ribose units linked through glycosidic ribose-ribose 1''->2' bonds. Branching may also occur. It is a biomacromolecule and a polysaccharide derivative. It contains an ADP-D-ribose.
The molecule F[Ag-3](F)(F)(F)(F)F F[Ag-3](F)(F)(F)(F)F is hexafluoroargentate(3-). It is also related to or classified as silver coordination entity , perfluorometallate anion .
The molecule F[C@@]([C@@H]1[C@@]2([C@@H](CC1)/C(/CCC2)=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)C)(CC[C@@H](O)C4CC4)C F[C@@]([C@@H]1[C@@]2([C@@H](CC1)/C(/CCC2)=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)C)(CC[C@@H](O)C4CC4)C is (20r,24r)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclovitamin d3 / (20r,24r)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclocholecalciferol. It is also related to or classified as organic molecular entity .
The molecule CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C is an epoxycarotenol that is beta-carotene-3,3'-diol in which one of the one of the endocyclic double bonds has been oxidised to the corresponding epoxide. It is a neutral yellow plant pigment found in Euglenophyta. It has a role as a biological pigment, a plant metabolite and a marine metabolite.
The molecule C(=O)(O)C(N)CC(C)(C)O C(=O)(O)C(N)CC(C)(C)O is A leucine derivative that is leucine substituted by a hydroxy group at position 4. Its functional parent is leucine . It is also related to or classified as tertiary alcohol  . It is also related to or classified as leucine derivative , non-proteinogenic alpha-amino acid .
The molecule CC1=C[C@H]2[C@@]3(CC[C@H](C([C@H]3CC[C@@]2([C@]4([C@@]1(C(=C(C4=O)C)O)C)C(=O)OC)C)(C)C)O)C is a 17-oxo steroid that is andrastin D in which the keto group at position 3 has undergone formal reduction to give the corresponding 3alpha-hydroxy compound. It is a 3alpha-hydroxy steroid, a 15-hydroxy steroid, a 5beta steroid, a meroterpenoid, an enol, a methyl ester, a 17-oxo steroid and a 3beta-hydroxy-4,4-dimethylsteroid. It derives from an andrastin D. It is a conjugate acid of an andrastin E(1-).
The molecule N[C@@H](CCCCNC1=CC(=O)C(=O)C=C1C[C@H](N)C(O)=O)C(O)=O N[C@@H](CCCCNC1=CC(=O)C(=O)C=C1C[C@H](N)C(O)=O)C(O)=O is an L-lysine derivative in which one of the amino hydrogens at N(6)-amino is substituted by a 6-[(2S)-2-amino-2-carboxyethyl]-3,4-dioxocyclohexa-1,5-dien-1-yl group. It is also related to or classified as 1,2-benzoquinones  . It is also related to or classified as L-lysine derivative , L-tyrosine derivative , non-proteinogenic L-alpha-amino acid .
The molecule O1[C@@H](C(C(C([C@H]1OP([O-])(=O)[O-])O)O)O)CO O1[C@@H](C(C(C([C@H]1OP([O-])(=O)[O-])O)O)O)CO is the dianion of any alpha-D-hexose 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C=1(C(C[C@@H](CC=C(C)C)C(C)=C)=C2O[C@H](C=3C(=CC=CC3O)O)CC(C2=C(O)C1)=O)OC C=1(C(C[C@@H](CC=C(C)C)C(C)=C)=C2O[C@H](C=3C(=CC=CC3O)O)CC(C2=C(O)C1)=O)OC is A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 2' and 6', a lavandulyl group at position 8 and a methoxy group at position 7. Isolated from Sophora exigua and Artemisia indica, it exhibits antimalarial activity. It has the role of metabolite . It has the role of antimalarial . Its functional parent is (2S)-flavanone . It is also related to or classified as monomethoxyflavanone , trihydroxyflavanone .
The molecule CCC1=C(C)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC(O)=O)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31 CCC1=C(C)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC(O)=O)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31 is chlorophyllide a. It is a conjugate acid of chlorophyllide a(1-) . It is also related to or classified as methyl ester  . It is also related to or classified as dicarboxylic acid monoester , chlorophyllide .
The molecule C12=C(C=3C(=CC(=CC3C=C1OC(CC2=O)(O)C)OC)OC)O C12=C(C=3C(=CC(=CC3C=C1OC(CC2=O)(O)C)OC)OC)O is A naphtho-gamma-pyrone that is fonsecin in which the hydroxy group at position 8 (meta to the methoxy group) has been converted to the corresponding methyl ether. Found in Aspergillus fonsecaeus. It has the role of Aspergillus metabolite . Its functional parent is fonsecin . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , cyclic hemiketal , naphtho-gamma-pyrone .
The molecule OC1=CC(=C(NC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1)C(O)=O OC1=CC(=C(NC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1)C(O)=O is 2-{[(2E)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-hydroxybenzoic acid. It is also related to or classified as alkaloid  . It is also related to or classified as benzamides .