anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)ccc2cc2c1nc(=O)[nH]c2=O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)ccc2cc2c1nc(=O)[nH]c2=O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O is 8-OH guanylated form of the deazaflavin coenzyme F420. It has the role of coenzyme . Its functional parent is guanosine 5'-monophosphate . Its functional parent is 7,8-didemethyl-8-hydroxy-5-deazariboflavin . It is also related to or classified as ribitol phosphate , pyrimidoquinolines .
The molecule CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O is A pentacyclic triterpenoid that is oleana-11,13(18)-diene substituted by an alpha-hydroxy group at position 3 and a carboxy group at position 28. It has been isolated from the leaves and twigs of Fatsia polycarpa. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as pentacyclic triterpenoid , hydroxy monocarboxylic acid .
The molecule OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O is A mannotriose consisting of three mannose units connected via beta-(1->4) linkages. It is also related to or classified as mannotriose .
The molecule CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]42C)[C@@H]3C1 CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]42C)[C@@H]3C1 is A terpene lactone that is 13,28-epoxyolean-11-en-28-one substituted by hydroxy groups at positions 3 and 23. Isolated from the leaves and twigs of Fatsia polycarpa, it exhibits anti-HBV activity. It has the role of metabolite . It has the role of anti-HBV agent . It has the role of plant metabolite . It is also related to or classified as diol  . It is also related to or classified as terpene lactone , hexacyclic triterpenoid .
The molecule C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2cc2c1nc(=O)[nH]c2=O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2cc2c1nc(=O)[nH]c2=O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O is 8-OH adenylated form of the deazaflavin coenzyme F420. It has the role of coenzyme . Its functional parent is adenosine 5'-monophosphate . Its functional parent is 7,8-didemethyl-8-hydroxy-5-deazariboflavin . It is also related to or classified as ribitol phosphate , pyrimidoquinolines .
The molecule CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@@]3(CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@@H]12)C(O)=O CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@@]3(CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@@H]12)C(O)=O is A pentacyclic triterpenoid that is olean-12-ene substituted by an alpha-hydroxy group at position 3, an alpha-methoxy group at position 11 and a carboxy group at position 28. Isolated from the leaves and twigs of Fatsia polycarpa, it exhibits antibacterial and anti-HBV activities. It has the role of metabolite . It has the role of antibacterial agent . It has the role of anti-HBV agent . It has the role of plant metabolite . It is also related to or classified as ether  . It is also related to or classified as pentacyclic triterpenoid , hydroxy monocarboxylic acid .
The molecule O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O[C@@H]3COC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O[C@@H]3COC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O is A xylotriose consisting of three D-xylose units connected via beta-(1->4)-linkages. It is also related to or classified as xylotriose .
The molecule CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O is A pentacyclic triterpenoid that is olean-18-ene substituted by alpha-hydroxy groups at positions 3 and 11 respectively and a carboxy group at position 28. It has been isolated from the leaves and twigs of Fatsia polycarpa. It has the role of plant metabolite . It is also related to or classified as pentacyclic triterpenoid , hydroxy monocarboxylic acid .
The molecule OC[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](OC[C@@H]3OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O OC[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](OC[C@@H]3OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O is A trisaccharide consisting of three L-arabinose units connected via alpha-(1->5) linkages. It is also related to or classified as trisaccharide .
The molecule CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O is A pentacyclic triterpenoid that is oleana-9(11),12-diene substituted by an alpha-hydroxy group at position 3 and a carboxy group at position 28. Isolated from the leaves and twigs of Fatsia polycarpa, it exhibits anti-HBV activity. It has the role of metabolite . It has the role of anti-HBV agent . It has the role of plant metabolite . It is also related to or classified as pentacyclic triterpenoid , hydroxy monocarboxylic acid .
The molecule OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@@H]3[C@@H](O)C(O)O[C@H](CO)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@@H]3[C@@H](O)C(O)O[C@H](CO)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A glucotriose consisting of three glucose units connected via alpha-(1->3) linkages. Also known as nigerotriose. It is also related to or classified as glucotriose .
The molecule CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O is A pentacyclic triterpenoid that is oleana-11,13(18)-diene substituted by a alpha-hydroxy group at position 3, an oxo group at position 23 and a carboxy group at position 28. Isolated from the leaves and twigs of Fatsia polycarpa, it exhibits anti-HBV activity. It has the role of antibacterial agent . It has the role of anti-HBV agent . It has the role of plant metabolite . It is also related to or classified as aldehyde  . It is also related to or classified as pentacyclic triterpenoid , hydroxy monocarboxylic acid .
The molecule OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)(CO)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)(CO)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A trisaccharide consisting of two glucose residues and one fructose (at the reducing end, connected by sequential alpha-(1->4)-linkages. It is also related to or classified as trisaccharide .
The molecule CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@H](OS(O)(=O)=O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@H](OS(O)(=O)=O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O is A pentacyclic triterpenoid that is oleana-11,13(18)-diene substituted by a sulfoxy group at position 3 and a carboxy group at position 28. It has been isolated from the leaves and twigs of Fatsia polycarpa. It has the role of plant metabolite .   It is also related to or classified as sulfuric ester  . It is also related to or classified as monocarboxylic acid , pentacyclic triterpenoid .
The molecule CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2[NH+]1 CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2[NH+]1 is an organic radical cation derived from 5,6,7,8-tetrahydrobiopterin. Its functional parent is 5,6,7,8-tetrahydrobiopterin . It is also related to or classified as organic radical cation .
The molecule CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O is A pentacyclic triterpenoid that is oleana-11,13(18)-diene substituted by hydroxy groups at positions 3 and 23 and a carboxy group at position 28 (the 3alpha stereoisomer). Isolated from the leaves and twigs of Fatsia polycarpa, it exhibits antibacterial and anti-HBV activities. It has the role of metabolite . It has the role of antibacterial agent . It has the role of anti-HBV agent . It has the role of plant metabolite . It is also related to or classified as pentacyclic triterpenoid , hydroxy monocarboxylic acid .
The molecule CC(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O CC(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O is A diester resulting from the formal condensation of the carboxylic acid group of beta-D-gentiobiosyl crocetin with the anomeric hydroxy group of beta-D-glucopyranose. It is also related to or classified as beta-D-glucoside  . It is also related to or classified as diester  .
The molecule CCCCCCC\C=C(/C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OCC CCCCCCC\C=C(/C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OCC is ethyl tumonoate A. It has the role of metabolite . It is also related to or classified as N-acyl-amino acid .
The molecule CC(\C=C\C=C(/C)C([O-])=O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O CC(\C=C\C=C(/C)C([O-])=O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O is A carboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of beta-D-gentiobiosyl crocetin. The major species at pH 7.3. It is also related to or classified as carboxylic acid anion  .
The molecule CCCCCCC\C=C(/C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@H]([C@@H](C)CC)C(=O)O[C@@H](C)C(=O)OC CCCCCCC\C=C(/C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@H]([C@@H](C)CC)C(=O)O[C@@H](C)C(=O)OC is methyl tumonoate B. It has the role of metabolite . It is also related to or classified as depsipeptide  .
The molecule [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\CC\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H])OC(C)=O [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\CC\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H])OC(C)=O is A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae. It has the role of antineoplastic agent . It has the role of coral metabolite . 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 acetate ester  . It is also related to or classified as macrocycle  . It is also related to or classified as cembrane diterpenoid .
The molecule C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F is a compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. It has a role as a serotonergic antagonist, a first generation antipsychotic, a dopaminergic antagonist, an antidyskinesia agent and an antiemetic. It is a hydroxypiperidine, an organofluorine compound, an aromatic ketone, a tertiary alcohol and a member of monochlorobenzenes.
The molecule C[C@@](O)(CCOP([O-])(=O)OP([O-])([O-])=O)CC([O-])=O C[C@@](O)(CCOP([O-])(=O)OP([O-])([O-])=O)CC([O-])=O is an organophosphate oxoanion arising from deprotonation of carboxylic acid and phosphate functions of (R)-5-diphosphomevalonic acid. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organophosphate oxoanion .
The molecule [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\CC(=O)\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H])OC(C)=O [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\CC(=O)\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H])OC(C)=O is A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae. It has the role of antineoplastic agent . It has the role of coral metabolite . 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 acetate ester  . It is also related to or classified as macrocycle  . It is also related to or classified as cyclic terpene ketone , cembrane diterpenoid .
The molecule CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C is the L-enantiomer of an O-octanoylcarnitine. It has a role as a human metabolite. It is an O-octanoylcarnitine and a saturated fatty acyl-L-carnitine. It is an enantiomer of an O-octanoyl-D-carnitine.
The molecule O=C1N([C@H](C(=O)NC1=C)[C@@H](OC)C)C O=C1N([C@H](C(=O)NC1=C)[C@@H](OC)C)C is Xestostreptin. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCOC1=NN2C(=C(C=N2)C3=NC(=NC=C3)NC4=CC(=CC=C4)N5CCOCC5)C=C1 is a pyrazolopyridazine that is pyrazolo[1,5-b]pyridazine substituted by a 2-[3-(morpholin-4-yl)anilino]pyrimidin-4-yl group at position 3 and an ethoxy group at position 6. It is an aminopyrimidine, a member of morpholines, a secondary amino compound, a tertiary amino compound, a pyrazolopyridazine and an aromatic ether.
The molecule [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C\C[C@@H](O)[C@]1(C)O[C@@]21[H])OC(C)=O [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C\C[C@@H](O)[C@]1(C)O[C@@]21[H])OC(C)=O is A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae. It has the role of antineoplastic agent . It has the role of coral metabolite . It is also related to or classified as epoxide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as acetate ester  . It is also related to or classified as macrocycle  . It is also related to or classified as cembrane diterpenoid .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O[C@@H]2[C@@H]([C@H](C=C(O2)C(=O)O)O)O)O)O is a glycosylrhamnose that is 4-deoxy-beta-L-threo-hex-4-enopyranuronose joined by a (1->2)-glycosidic link to alpha-L-rhamnopyranose. It is a hexuronic acid and a glycosylrhamnose. It is a conjugate acid of a 2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-alpha-L-rhamnopyranose(1-).
The molecule C[C@@H]([NH2+][C@@H](CCCNC(N)=[NH2+])C([O-])=O)C([O-])=O C[C@@H]([NH2+][C@@H](CCCNC(N)=[NH2+])C([O-])=O)C([O-])=O is A D-alpha-amino acid zwitterion that is D-octopine in which both carboxy groups are anionic and the secondary amino and guanidine imino functions are protonated. It is a conjugate acid of D-octopine(1-) . It is also related to or classified as D-alpha-amino acid zwitterion  .
The molecule C[C@@H](Nc1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)cc1)C1=Nc2c(N[C@H]1C)nc(N)[nH]c2=O C[C@@H](Nc1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)cc1)C1=Nc2c(N[C@H]1C)nc(N)[nH]c2=O is A member of the class of methanopterins resulting from the formal hydrogenation at the 7 and 8 positions of methanopterin. It is a conjugate acid of 7,8-dihydromethanopterin(3-) . It is also related to or classified as methanopterins .
The molecule CCCC(CC(O)=O)(C)O CCCC(CC(O)=O)(C)O is A 3-hydroxy monocarboxylic acid that is hexanoic acid substituted by a hydroxy group and a methyl group at position 3. It is a metabolite found in human sweat. It has the role of human metabolite . It is a conjugate acid of 3-hydroxy-3-methylhexanoate . It is also related to or classified as volatile organic compound , 3-hydroxy monocarboxylic acid .
The molecule [H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](O)C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H] [H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](O)C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H] is A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae. It has the role of antineoplastic agent . It has the role of coral metabolite . It is also related to or classified as epoxide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as acetate ester  . It is also related to or classified as macrocycle  . It is also related to or classified as cembrane diterpenoid .
The molecule COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O is a dimethoxyflavone that is myricetin in which the hydroxy groups at positions 3' and 5' have been replaced by methoxy groups. It has a role as a platelet aggregation inhibitor and a metabolite. It is a tetrahydroxyflavone, a dimethoxyflavone, a 7-hydroxyflavonol, a member of 3'-methoxyflavones and a 3',5'-dimethoxyflavone. It derives from a myricetin. It is a conjugate acid of a syringetin(1-).
The molecule C[NH2+]C C[NH2+]C is an organic cation that is the conjugate acid of dimethylamine; major species at pH 7.3. It is a conjugate acid of dimethylamine . It is also related to or classified as secondary aliphatic ammonium ion  . It is also related to or classified as organic cation .
The molecule [O-]C(=O)[C@@H]1O[C@H]1C([O-])=O [O-]C(=O)[C@@H]1O[C@H]1C([O-])=O is dicarboxylate anion of trans-2,3-epoxysuccinic acid. Its functional parent is succinate(2-) . It is also related to or classified as epoxide  . It is also related to or classified as C4-dicarboxylate  . It is also related to or classified as dicarboxylic acid dianion  .
The molecule OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl is A monocarboxylic acid that is the carboxymethyl ester of diclofenac. A non-steroidal anti-inflammatory drug related to diclofenac, it is used in the management of osteoarthritis, rheumatoid arthritis, and ankylosing spondylitis. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor . Its functional parent is diclofenac . It is also related to or classified as dichlorobenzene  .  It is also related to or classified as carboxylic ester  . It is also related to or classified as monocarboxylic acid , amino acid , secondary amino compound .
The molecule [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\C[C@H](O)\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H])OC(C)=O [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\C[C@H](O)\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H])OC(C)=O is A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae. It has the role of antineoplastic agent . It has the role of coral metabolite . It is also related to or classified as epoxide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as acetate ester  . It is also related to or classified as macrocycle  . It is also related to or classified as cembrane diterpenoid .
The molecule C1=C[N+](=CC(=C1[C@H](C(=O)COP(=O)(O)O)O)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O is a nicotinamide dinucleotide consisting of NADP zwitterion lacking the 2'-phsopho group and having a (1R)-1-hydroxy-2-oxo-3-phosphonooxypropyl group at position 4 of the nicotinamide fragment. It is a nicotinamide dinucleotide and a secondary alpha-hydroxy ketone. It derives from a NADP zwitterion.
The molecule O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@@H]4[C@]5(C=CC(=O)C([C@@H]5CC[C@]4(O3)C)(C)C)C O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@@H]4[C@]5(C=CC(=O)C([C@@H]5CC[C@]4(O3)C)(C)C)C is Arisugacin P. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CSSc1cccc[n+]1[O-] CSSc1cccc[n+]1[O-] is A pyridine alkaloid that is pyridine N-oxide substituted by a methyldisulfanyl group at position 2. Isolated from Allium stipitatum, it exhibits antibacterial activity. It has the role of metabolite . It has the role of antibacterial agent . Its functional parent is pyridine N-oxide .  It is also related to or classified as organic disulfide  . It is also related to or classified as pyridine alkaloid , pyridine N-oxides .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O is an N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 24 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.
The molecule CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCC is an L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group is substituted by a 2,3-bis(palmitoyloxy)propyl group. It has the role of Mycoplasma genitalium metabolite . It has the role of Toll-like receptor 2 agonist . Its functional parent is hexadecanoic acid . It is also related to or classified as L-cysteine thioether .
The molecule C[N+](C)(C)CCc1cc2OCOc2cc1C(=O)C(=O)c1ccc2OCOc2c1C(O)=O C[N+](C)(C)CCc1cc2OCOc2cc1C(=O)C(=O)c1ccc2OCOc2c1C(O)=O is N-Methylnarceimicine. It has the role of metabolite . It is also related to or classified as stilbenoid .
The molecule C[C@H]1C[C@@]2([C@H]3CC[C@@H]4[C@]5(CCC(=C(C)C)[C@@H]5CC[C@]4([C@@]3(CC[C@H]2C(C1)(C)C)C)C)C)C is a triterpenoid that consists of hop-21-ene carrying an additional methyl substituent at the 2beta-position. It derives from a hop-21(22)-ene.
The molecule C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(C)cc4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(C)cc4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O is A disaccharide derivative that consists of 5-hydroxy-2-methylchromone substituted by a rutinosyl group at position 7 via a glycosidic linkage. Isolated from Crossosoma bigelovii, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent .  It is also related to or classified as rutinoside  . It is also related to or classified as phenols  . It is also related to or classified as chromones , disaccharide derivative .
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O)O)O)O is a disaccharide consisting alpha-D-galactosyl and D-gluconic acid residues joined by a (1->6)-linkage. It is a carbohydrate acid and a disaccharide. It derives from a melibiose.
The molecule CCNCC CCNCC is A secondary aliphatic amine where both N-substituents are ethyl. It is also related to or classified as secondary aliphatic amine  .
The molecule CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 is a sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 1,3-thiazol-2-yl group at the nitrogen atom. It is a metabolite of sulfathiazole. It has a role as a marine xenobiotic metabolite. It is a sulfonamide, a member of acetamides and a member of 1,3-thiazoles.