anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCC(S)CCCO CCCCC(S)CCCO is an alkanethiol that is octane substituted at positions 1 and 4 by hydroxy and sulfanyl groups respectively. It has the role of flavouring agent . It is also related to or classified as primary alcohol  . It is also related to or classified as alkanethiol  .
The molecule [H][C@@](COC(C)=O)(COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O [H][C@@](COC(C)=O)(COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at C-1 and C-2 contain 40 carbons in total with 7 double bonds. It has the role of metabolite . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .
The molecule CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)O is a dicarboxylic acid and an organic heterotricyclic compound. It has a role as a non-steroidal anti-inflammatory drug, an anti-asthmatic drug and an anti-allergic agent. It is a conjugate acid of a nedocromil(2-).
The molecule N[C@H](CO)[C@@H](O)C[C@H](O)[C@H](N)[C@H](O)[C@@H](O)C(=O)N[C@@H](CNC(N)=O)C(N)=O N[C@H](CO)[C@@H](O)C[C@H](O)[C@H](N)[C@H](O)[C@@H](O)C(=O)N[C@@H](CNC(N)=O)C(N)=O is the (+)-enantiomer of zwittermicin A. It is a water-soluble natural antibiotic from the fermentation of the soil-borne bacterium Bacillus cereus and shows significant activity against phytopathogenic fungi. It has the role of antifungal agent . It has the role of bacterial metabolite . It is also related to or classified as 4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide  . It is also related to or classified as peptide antibiotic .
The molecule C(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](C/C=C\CC)O)(=O)O C(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](C/C=C\CC)O)(=O)O is A polyunsaturated fatty acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosa-4,7,10,13,15,19-hexaenoic acid carrying a hydroxy substituent at the 17R-position. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . It is a conjugate acid of 17(R)-HDoHE(1-) . It is also related to or classified as (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid  .
The molecule OC(=O)[C@H]1NCC2=CC=CC=C12 OC(=O)[C@H]1NCC2=CC=CC=C12 is A non-proteinogenic alpha-amino acid in which benzene is ortho-fused onto the C-3-C-4 bond of L-proline. It is also related to or classified as non-proteinogenic alpha-amino acid .
The molecule C1=CC(=CC=C1C[C@H](C(=O)[O-])[NH3+])O is a D-alpha-amino acid zwitterion that is D-tyrosine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. It is a tautomer of a D-tyrosine.
The molecule CC(C)=CCc1cc(ccc1O)\C=C1OC(=O)C(=C/1O)c1ccc(O)c(CC=C(C)C)c1 CC(C)=CCc1cc(ccc1O)\C=C1OC(=O)C(=C/1O)c1ccc(O)c(CC=C(C)C)c1 is aspulvinone H. It is a conjugate acid of aspulvinone H(1-) . It is also related to or classified as aspulvinone .
The molecule [Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=[N+]([O-])C(C)(C)C)C(=C1)S(=O)(=O)[O-] [Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=[N+]([O-])C(C)(C)C)C(=C1)S(=O)(=O)[O-] is disufenton Sodium is a disulfonyl derivative of phenyl-tert-butyl nitrone (PBN), with potential anti-glioma activity. It is also related to or classified as organic molecular entity .
The molecule CCCC[C@@](C)(C/C=C/[C@@H]1[C@H](CC(=O)[C@H]1CCCCCCC(=O)OC)O)O is a methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate that has 8S,11S,12S,16S-configuration. It is a pharmacologically inactive diastereoisomeric component of misoprostol. It is an enantiomer of an (11R,16R)-misoprostol.
The molecule NC1(Cc2ccc(O)cc2)C(=O)NC(=O)N\C1=N\C[C@H](O)[C@H](O)[C@H](O)CO NC1(Cc2ccc(O)cc2)C(=O)NC(=O)N\C1=N\C[C@H](O)[C@H](O)[C@H](O)CO is A member of the class of pyrimidones that is 5,6-diamino-5-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione in which the imino hydrogen at position 6 is replaced by a D-ribityl group. Its functional parent is ribitol . It is also related to or classified as phenols  . It is also related to or classified as pyrimidone , primary amino compound .
The molecule [Ca++] [Ca++] is calcium(2+). It has the role of cofactor . It has the role of human metabolite . It is also related to or classified as monoatomic dication  . It is also related to or classified as calcium cation , divalent metal cation .
The molecule O=C1N2[C@H](C(=O)OC(C(O)CC(=O)CC)(CC(C3OC(CC3)CCC=C(C(C(CCC=C1)C)=O)C)C)C)CCC2 O=C1N2[C@H](C(=O)OC(C(O)CC(=O)CC)(CC(C3OC(CC3)CCC=C(C(C(CCC=C1)C)=O)C)C)C)CCC2 is Nocardiopsin C. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule [H][C@@]1(CCc2cc(F)ccc2O1)[C@@H](O)CNC[C@H](O)[C@]1([H])CCc2cc(F)ccc2O1 [H][C@@]1(CCc2cc(F)ccc2O1)[C@@H](O)CNC[C@H](O)[C@]1([H])CCc2cc(F)ccc2O1 is A 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] that has (1S,1'S,2R,2'S)-configuration. It is also related to or classified as 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol]  .
The molecule O(C1CC(CC(C1)C)(C)C)C(=O)C(C)=C O(C1CC(CC(C1)C)(C)C)C(=O)C(C)=C is 2-Propenoic acid, 2-methyl-, 3,3,5-trimethylcyclohexyl ester. It is also related to or classified as enoate ester  .
The molecule C1[C@@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O is a catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer). It has a role as a cyclooxygenase 1 inhibitor and a plant metabolite. It is a catechin and a polyphenol. It is an enantiomer of a (-)-epicatechin.
The molecule C(CCCCCCCCCC(C(=O)[H])O)CCCC C(CCCCCCCCCC(C(=O)[H])O)CCCC is A hydroxy fatty aldehyde that is hexadecanal in which one of the hydrogens at position 2 has been replaced by a hydroxy group. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is hexadecanal .  It is also related to or classified as long-chain fatty aldehyde  . It is also related to or classified as hydroxy fatty aldehyde .
The molecule [H]C(=O)C[C@H](C)CCC=C(C)C [H]C(=O)C[C@H](C)CCC=C(C)C is the (3R)-stereoisomer of 3,7-dimethyloct-6-enal (citronellal). It is also related to or classified as citronellal  .
The molecule ClC1=C2C3=C4C=5[C@@](OC([C@@]6([C@@]3([C@](C6)(C(C2)=C)[H])[H])[H])(C)C)([C@]7([C@@]([C@@]8([C@](O)([C@@]9%10O[C@@]9([C@@H](O)[C@H](O[C@]%10(CC8)[H])C(C)=C)[H])CC7)C)(C5NC4=C1)C)[H])[H] ClC1=C2C3=C4C=5[C@@](OC([C@@]6([C@@]3([C@](C6)(C(C2)=C)[H])[H])[H])(C)C)([C@]7([C@@]([C@@]8([C@](O)([C@@]9%10O[C@@]9([C@@H](O)[C@H](O[C@]%10(CC8)[H])C(C)=C)[H])CC7)C)(C5NC4=C1)C)[H])[H] is Penitrem F. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule N[C@@H](CO)[C@H](O)C[C@@H](O)[C@@H](N)[C@@H](O)[C@H](O)C(=O)N[C@H](CNC(N)=O)C(N)=O N[C@@H](CO)[C@H](O)C[C@@H](O)[C@@H](N)[C@@H](O)[C@H](O)C(=O)N[C@H](CNC(N)=O)C(N)=O is the (-)-enantiomer of zwittermicin A. It is also related to or classified as 4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide  .
The molecule O(C(CC1OC(=O)CCNC(=O)C(N(C(=O)C(N(C(=O)C(NC(=O)C2N(CCC2)C1=O)C(CC)C)C)C(C)C)C)C)(C)C)C3OC(C(O)C(O)C3O)CO O(C(CC1OC(=O)CCNC(=O)C(N(C(=O)C(N(C(=O)C(NC(=O)C2N(CCC2)C1=O)C(CC)C)C)C(C)C)C)C)(C)C)C3OC(C(O)C(O)C3O)CO is beta-D-Glucosyloxydestruxin B. It is also related to or classified as glycoside  . It is also related to or classified as cyclodepsipeptide  .
The molecule C[C@H]([C@H](C1=CC=CC=C1)O)[NH2+]C is an organic cation obtained by protonation of the secondary amino function of (1S,2R)-ephedrine; major species at pH 7.3. It is an enantiomer of a (-)-ephedrinium.
The molecule C/C=C/C=C/CCCC/C=C/C1=CC(=C(C(=O)O1)CO)OC is a prosolanapyrone that is prosolanapyrone I in which one of the hydrogens of the methyl substituent at position 3 of the pyrone ring is substituted by a hydroxy group. It is a prosolanapyrone and a primary alcohol.
The molecule C(=C(/C(=O)O)\\[O-])(\\C(=O)O)/[O-] is a C4-dicarboxylate resuting from deprotonation of both carboxy groups of dihydroxyfumaric acid. It derives from a fumarate(2-). It is a conjugate base of a dihydroxyfumaric acid.
The molecule O=C1C(SC(=NCCC)N1C=2C=CC=CC2C)=CC3=CC=C(OCC(O)CO)C(Cl)=C3 O=C1C(SC(=NCCC)N1C=2C=CC=CC2C)=CC3=CC=C(OCC(O)CO)C(Cl)=C3 is ponesimod is a Sphingosine 1-phosphate Receptor Modulator. The mechanism of action of ponesimod is as a Sphingosine 1-Phosphate Receptor Modulator. It is also related to or classified as organic molecular entity .
The molecule CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O is a sphinganine derivative having a beta-D-glucosyl group at the 1-position and an octadecanoyl group attached to the nitrogen. It has a role as an epitope.
The molecule O1C2C(C(=O)C3=C1C=4CC(OC4C=C3)C(COC5OC(C(O)C(O)C5O)CO)=C)C=6C(OC2)=CC(OC)=C(OC)C6 O1C2C(C(=O)C3=C1C=4CC(OC4C=C3)C(COC5OC(C(O)C(O)C5O)CO)=C)C=6C(OC2)=CC(OC)=C(OC)C6 is Amorphigenin O-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as rotenoid .
The molecule C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)CCC4=CC(=O)C=C[C@]34C)O is a synthetic glucocorticoid resulting from the formal condensation of the 21-hydroxy group of prednisolone with one of the hydroxy groups of phosphoric acid. It is a prodrug for prednisolone that is activated in vivo by phosphatases. It has a role as an anti-inflammatory agent, a glucocorticoid receptor agonist, a prodrug and an antineoplastic agent. It is a steroid phosphate, an 11beta-hydroxy steroid, a 17alpha-hydroxy steroid, a 20-oxo steroid, a 3-oxo-Delta(1),Delta(4)-steroid, a tertiary alpha-hydroxy ketone and a glucocorticoid. It derives from a prednisolone. It is a conjugate acid of a prednisolone phosphate(2-).
The molecule CSC[C@H]1O[C@H](OP([O-])([O-])=O)[C@H](O)[C@@H]1O CSC[C@H]1O[C@H](OP([O-])([O-])=O)[C@H](O)[C@@H]1O is dianion of S-methyl-5-thio-alpha-D-ribose 1-phosphate. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule CCCCCCCCC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CCCCCCCCC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is A 3-methyl fatty acyl-CoA(4-) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-methylundecanoyl-CoA; major species at pH 7.3. It is also related to or classified as saturated fatty acyl-CoA(4-)  . It is also related to or classified as 3-methyl fatty acyl-CoA(4-)  . It is also related to or classified as medium-chain fatty acyl-CoA(4-)  .
The molecule OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 is A triarylmethane that is tris(4-chlorophenyl)methane in which the hydrogen of the central carbon is replaced by a hydroxy group. It is a byproduct of DDT manufacturing and is a highly persistent contaminant found in the environment and which bio-accumulates in marine species. It has the role of persistent organic pollutant . Its functional parent is tris(4-chlorophenyl)methane . It is also related to or classified as tertiary alcohol  . It is also related to or classified as triarylmethane , monochlorobenzenes .
The molecule O1N(C(CC1C#N)(C(OC)=O)C(OC)=O)C O1N(C(CC1C#N)(C(OC)=O)C(OC)=O)C is 3-Cyano-5,5-dimethoxycarbonyl-N-methylisoxazolidine. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CC(=O)[C@H](CC(=O)O)N)O)O)O)N is an organic phosphonate that is adenosine having a [(3S)-3-amino-4-carboxy-2-oxobutyl](hydroxy)phosphoryl group attached at position 5'. It has a role as a metabolite. It is an organic phosphonate, a L-aspartic acid derivative and a beta-amino acid. It derives from an adenosine.
The molecule CC1=C(SC(=N1)NC(=O)N2CCCC2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F CC1=C(SC(=N1)NC(=O)N2CCCC2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F is alpelisib is a phosphatidylinositol 3-kinase (PI3K) inhibitor with potent antitumor activity. It is also related to or classified as organic molecular entity .
The molecule CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)O)N is a tripeptide composed of L-leucine, L-valine and L-serine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-leucine, a L-valine and a L-serine.
The molecule CCCCCCCC/C=C\\C/C=C\\C=C\\C(=O)CCCC(=O)O is a trienoic fatty acid that is (6E,8Z,11Z)-icosatrienoic acid carrying an additional oxo substituent at position 5. It has a role as a human xenobiotic metabolite. It is an oxo fatty acid, a long-chain fatty acid and a trienoic fatty acid. It derives from a (5Z,8Z,11Z)-icosatrienoic acid. It is a conjugate acid of a 5-oxo-ETrE(1-).
The molecule OC[C@H]1O[C@@H](Oc2ccc3C(=O)C[C@H](Oc3c2)c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2ccc3C(=O)C[C@H](Oc3c2)c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@@H](O)[C@@H]1O is A flavanone glycoside that is  butin substituted by two beta-D-glucopyranosyl residues at positions 7 and 3' respectively. It has the role of anti-inflammatory agent . It has the role of plant metabolite . Its functional parent is butin . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as monohydroxyflavanone , flavanone glycoside .
The molecule C1=CC(=C(C(=C1)O)O)C2=C(C(=CC=C2)O)O is a biphenyl that has four hydroxy groups attached to the benzenoid ring system (position 2,2',3 and 3'); majos species at pH 7.3 It is a member of catechols and a member of hydroxybiphenyls.
The molecule Oc1ccc(cc1)\C=C1OC(=O)C(=C/1O)c1ccc(O)cc1 Oc1ccc(cc1)\C=C1OC(=O)C(=C/1O)c1ccc(O)cc1 is A 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one in which the double bond adopts a Z-configuration. It is a marine metabolite isolated from the fungus Aspergillus terreus and exhibits antiviral activity. It has the role of antiviral agent . It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor . It has the role of marine metabolite . It has the role of Aspergillus metabolite . It is a conjugate acid of aspulvinone E(1-) . It is also related to or classified as 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one  . It is also related to or classified as aspulvinone .
The molecule O1C(C(O)C(O)C(O)C1OC2=C(O)C(=C(O)C(O)=C2O)C(=O)CCC3=CC=C(OC)C=C3)C(O)=O O1C(C(O)C(O)C(O)C1OC2=C(O)C(=C(O)C(O)=C2O)C(=O)CCC3=CC=C(OC)C=C3)C(O)=O is 3,4,5-trihydroxy-6-{2,3,4,6-tetrahydroxy-5-[3-(4-methoxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as palmitoyl and arachidonoyl respectively. It derives from an arachidonic acid and a hexadecanoic acid.
The molecule O1[C@@H](O[C@](CC/C=C(/CC\C=C(\CC/C=C(\CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)/C)/C)\C)(C)C=C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO O1[C@@H](O[C@](CC/C=C(/CC\C=C(\CC/C=C(\CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)/C)/C)\C)(C)C=C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO is Lyciumoside I. It is also related to or classified as disaccharide derivative , diterpene glycoside .
The molecule [Cl-].C[NH2+]C1(CCCCC1=O)c1ccccc1Cl [Cl-].C[NH2+]C1(CCCCC1=O)c1ccccc1Cl is the hydrochloride salt of ketamine. It has the role of analgesic . It has the role of intravenous anaesthetic . It has the role of NMDA receptor antagonist . It is also related to or classified as hydrochloride .
The molecule O(C1=C(O)C=C(OC)C=C1)C O(C1=C(O)C=C(OC)C=C1)C is 2,5-Dimethoxyphenol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule OC(=O)CC=1N=CN(C)C1 OC(=O)CC=1N=CN(C)C1 is A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1-methyl-1H-imidazol-4-yl group. It has the role of metabolite . It has the role of GABA agonist . Its functional parent is acetic acid . It is a conjugate acid of 1-methyl-4-imidazoleacetate . It is also related to or classified as imidazoles , monocarboxylic acid .
The molecule COC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O COC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O is A dinitrophenol that is phenol substituted by a methoxy group at position 2 and nitro groups at positions 4 and 6. It is also related to or classified as guaiacols  . It is also related to or classified as dinitrophenol  .
The molecule CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\\CCCCCCCC)O)O is a glycophytoceramide that consists of phytosphingosine having an alpha-D-galactosyl attached at the O-1 position via a glycosidic linkage and a (Z)-tetracos-15-enoyl group attached to the nitrogen.
The molecule C1=CC(=C(C=C1F)C(=O)O)N is an aminobenzoic acid that is anthranilic acid in which the hydrogen at position 5 on the phenyl ring is replaced by fluorine. It has a role as an antimetabolite. It is an aminobenzoic acid and an organofluorine compound. It derives from an anthranilic acid.
The molecule OC(=O)C1CSSC1 OC(=O)C1CSSC1 is asparagusic acid. It is a conjugate acid of asparagusate . It is also related to or classified as sulfur-containing carboxylic acid , dithiolanecarboxylic acid , dithiolanes .
The molecule O[As](O)(=O)c1ccccc1 O[As](O)(=O)c1ccccc1 is phenylarsonic acid. It is a conjugate acid of phenylarsonate(1-) . It is also related to or classified as organoarsonic acid , arsonic acids .
The molecule C1=C(C=C(C=C1O)O)O is a benzenetriol with hydroxy groups at position 1, 3 and 5. It has a role as an algal metabolite.
The molecule O(C1[C@@H](O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O[C@@H]4OC([C@H](O)C(O)[C@@H]4O)C)C3)C5=CC=C(O)C=C5)CO[C@@H]6OC([C@H](O)C(O)[C@@H]6O)C)[C@@H]7OC([C@H](O)C(O)[C@@H]7O)C O(C1[C@@H](O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O[C@@H]4OC([C@H](O)C(O)[C@@H]4O)C)C3)C5=CC=C(O)C=C5)CO[C@@H]6OC([C@H](O)C(O)[C@@H]6O)C)[C@@H]7OC([C@H](O)C(O)[C@@H]7O)C is Astrasikokioside I. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CCCCCCCCCCCCCC(=O)OC[C@@H]1COP(=O)(O1)[O-] is an organic molecular entity and a 1-acyl-sn-glycero-2,3-cyclic phosphate(1-). It derives from a tetradecanoate, a 1-myristoyl-sn-glycero-3-phosphocholine and a 1-myristoyl-sn-glycero-3-phosphoethanolamine zwitterion.
The molecule N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC([C@H](C)[NH3+])=O)=O)[C@H]([C@H]3O)O N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC([C@H](C)[NH3+])=O)=O)[C@H]([C@H]3O)O is L-alanyl-AMP zwitterion. Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as zwitterion  .
The molecule [H]C(O)(C=O)C([H])(O)C([H])(OC1([H])OC([H])(CO)C([H])(O)C([H])(O)C1([H])O)C([H])(O)CO.O [H]C(O)(C=O)C([H])(O)C([H])(OC1([H])OC([H])(CO)C([H])(O)C([H])(O)C1([H])O)C([H])(O)CO.O is 5-(N-ethyl-N-isopropyl) amiloride. It has the role of ion transport inhibitor . It is also related to or classified as organic molecular entity .
The molecule NC(CC1=CC=C(CC(O)=O)C=C1)C(O)=O NC(CC1=CC=C(CC(O)=O)C=C1)C(O)=O is A phenylalanine derivative that is phenylalanine substituted by a carboxymethyl group at position 4. It is also related to or classified as carboxyamino acid , phenylalanine derivative , aromatic amino acid , non-proteinogenic alpha-amino acid .
The molecule CC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N(2)-acetyl-L-lysine; major species at pH 7.3. It has a role as a human metabolite. It is a tautomer of a N(2)-acetyl-L-lysine.
The molecule O[C@H]1C=C(C([O-])=O)C(=C[C@H]1O)C([O-])=O O[C@H]1C=C(C([O-])=O)C(=C[C@H]1O)C([O-])=O is A dicarboxylic acid dianion arising from deprotonation of the carboxy groups of cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule CC1=C/C(=C(\\C2=CC=C(C=C2)N(C)C)/C3=CC=C(C=C3)[N+](C)(C)C)/C=CC1=[N+](C)C.[Cl-].[Cl-] is an iminium salt composed of (4-{[4-(dimethylamino)-3-methylphenyl][4-(trimethylazaniumyl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)(dimethyl)ammonium and chloride ions in a 1:2 ratio. A histological dye used for staining chromatin and amyloid. It has a role as a fluorochrome and a histological dye. It is an iminium salt, an organic chloride salt and a quaternary ammonium salt. It contains an iodine green(2+).
The molecule CN(C)CCCN1c2ccccc2CCc2ccccc12 CN(C)CCCN1c2ccccc2CCc2ccccc12 is A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom. It has the role of antidepressant . It has the role of adrenergic uptake inhibitor . It has the role of EC 3.4.21.26 (prolyl oligopeptidase) inhibitor . It is also related to or classified as dibenzoazepine  .
The molecule C1=CC(=C(C=C1C[C@H](C(=O)O)O)O)O is a (2R)-2-hydroxy monocarboxylic acid that is (R)-lactic acid substituted at position 3 by a 3,4-dihydroxyphenyl group. It is a (2R)-2-hydroxy monocarboxylic acid and a 3-(3,4-dihydroxyphenyl)lactic acid. It is a conjugate acid of a (2R)-3-(3,4-dihydroxyphenyl)lactate.
The molecule CN\C(NCCC[C@H]([NH3+])C([O-])=O)=N\C CN\C(NCCC[C@H]([NH3+])C([O-])=O)=N\C is an amino acid zwitterion obtained from N(omega),N'(omega)-dimethyl-L-arginine by transfer of a proton from the carboxylic acid group to the alpha-amino group. It is also related to or classified as amino-acid zwitterion .
The molecule OP(=O)(O)OC\C=C(\C)/CC\C=C(\C)/CC\C=C(\C)/CC\C=C(\C)/CC/C=C(\CC\C=C(\C)/CC\C=C(\C)/CC\C=C(\C)/CC\C=C(\C)/CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C OP(=O)(O)OC\C=C(\C)/CC\C=C(\C)/CC\C=C(\C)/CC\C=C(\C)/CC/C=C(\CC\C=C(\C)/CC\C=C(\C)/CC\C=C(\C)/CC\C=C(\C)/CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C is A polyprenol phosphate having twelve prenyl units in the chain (the 2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E-isomer). It is a conjugate acid of ditrans,polycis-dodecaprenyl phosphate(2-) . It is also related to or classified as polyprenol phosphate .
The molecule Cc1ncc(COP(O)(O)=O)c(CN)c1O Cc1ncc(COP(O)(O)=O)c(CN)c1O is A vitamin B6 phosphate that is the  phosphoric ester derivative of pyridoxamine. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . Its functional parent is pyridoxamine . It is a conjugate acid of pyridoxamine 5'-phosphate(1-) . It is also related to or classified as methylpyridines , vitamin B6 phosphate , monohydroxypyridine , aminoalkylpyridine .
The molecule C[C@H]1[C@@H](C[C@@H]([C@]2([C@@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C)O)C(=O)O is a pentacyclic triterpenoid with formula C30H48O4, originally isolated from the roots of Tripterygium wilfordii. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a hydroxy monocarboxylic acid and a diol. It derives from a hydride of an ursane.
The molecule CCCCC/C=C\\CCC(=O)[O-] is a medium-chain fatty acid anion and the conjugate base of obtusilic acid, arising from deprotonation of the carboxylic acid group. It is a straight-chain fatty acid anion and a medium-chain fatty acid anion. It is a conjugate base of a cis-4-decenoic acid.
The molecule CCC(C)C(N)C(O)=O CCC(C)C(N)C(O)=O is A branched chain amino acid that consists of 3-methylpentanoic acid bearing an amino substituent at position 2.  It is also related to or classified as alpha-amino acid  . It is also related to or classified as branched-chain amino acid .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(=O)OP(O)(O)=O CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(=O)OP(O)(O)=O is A polyprenol triphosphate where the polyprenol component is farnesol. It is a conjugate acid of farnesyl triphosphate(3-) . It is also related to or classified as polyprenol triphosphate .