anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Cc1cc(=O)c2c(O)cc(O)cc2o1 Cc1cc(=O)c2c(O)cc(O)cc2o1 is A member of the class of chromones in which the 1,4-benzopyrone skeleton is substituted with a methyl group at position 2 and with hydroxy groups at positions 5 and 7.  A natural product, it is found in Pisonia aculeata. It has the role of plant metabolite . It is a conjugate acid of noreugenin(1-) . It is also related to or classified as chromones , resorcinols .
The molecule [NH3+][C@@H](CS)C(=O)NCC([O-])=O [NH3+][C@@H](CS)C(=O)NCC([O-])=O is the zwitterion of L-cysteinylglycine resulting from the transfer of a proton from the hydroxy group of glycine to the amino group of cysteine. Major microspecies at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as dipeptide zwitterion  .
The molecule C1N(C(=O)N=C1[O-])/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-].C1N(C(=O)N=C1[O-])/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-].O.O.O.O.O.O.O.[Na+].[Na+] is a hydrate which is the hemiheptahydrate of anhydrous dantrolene sodium. It has a role as a muscle relaxant. It contains a dantrolene sodium (anhydrous).
The molecule OC(=O)c1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 OC(=O)c1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 is an indolecarboxylic acid that is indole-5-carboxylic acid bearing an additional 4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)butyl substituent at position 3. Selective, peripherally acting dopamine D2 receptor agonist. Modulates noradrenalin release and sympathetic activation. Displays antihypertensive properties in vivo. It has the role of antihypertensive agent . It has the role of platelet aggregation inhibitor . It has the role of dopamine agonist . It is also related to or classified as tetrahydropyridine , indolecarboxylic acid , tertiary amino compound .
The molecule C1CCN[C@H](C1)C(=O)O is the D-enantiomer of pipecolic acid. It has a role as a human metabolite. It is a conjugate base of a D-pipecolate. It is an enantiomer of a L-pipecolic acid.
The molecule COc1cc(O)c2c(c1)oc(C)cc2=O COc1cc(O)c2c(c1)oc(C)cc2=O is A member of the class of  chromones that is chromone substituted by a hydroxy group at position 5, a methoxy group at position 7 and a methyl group at position 2. It has been isolated from Pisonia aculeata. 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 C[C@H](CCCC(CO)COS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C is a steroid sulfate that is the sulfuric ester derivative of 5beta-cyprinol. It is a steroid sulfate, a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid and a 26-hydroxy steroid. It derives from a 5beta-cyprinol.
The molecule C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O is a disaccharide consisting of beta-D-xylopyranose and D-glucopyranose joined in sequence by a (1->6) glycosidic bond. It is a glycoside and a glycosylglucose. It derives from a beta-D-xylose and a D-glucopyranose.
The molecule CCCCC[C@H](/C=C/C=C\\CCCCCCCC(=O)[O-])OO is a 13-HPODE(1-) that is the conjugate base of 13(R)-HPODE, obtained by deprotonation of the carboxylic acid function. Major microspecies at pH 7.3. It is a conjugate base of a (13R)-HPODE. It is an enantiomer of a 13(S)-HPODE(1-).
The molecule CCCCCCCCCCCCCCC(C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCC(C)C)O)O is an N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 16 carbons and 0 double bonds and is 2-hydroxylated. It derives from a 15-methylhexadecasphing-4-enine.
The molecule Cl.OC(=O)c1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 Cl.OC(=O)c1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 is A hydrochloride salt obtained by reaction of carmoxirole with one equivalent of hydrochloric acid. Selective, peripherally acting dopamine D2 receptor agonist. Modulates noradrenalin release and sympathetic activation. Displays antihypertensive properties in vivo. It has the role of antihypertensive agent . It has the role of platelet aggregation inhibitor . It has the role of dopamine agonist . It is also related to or classified as hydrochloride .
The molecule C[C@@H]1CC(=O)C2=C1[C@H]([C@@]3(CC[C@]2(OO3)C)C(C)C)O is a sesquiterpenoid that is 1,4,5,6,7,8-hexahydro-4,7-epidioxyazulen-3(2H)-one substituted by a hydroxy group at position 8, methyl groups at positions 1 and 4 and an isopropyl group at position 7 (the (1R,4R,7R,8R stereoisomer). Isolated from Nardostachys chinensis, it exhibits antimalarial activity. It has a role as a metabolite and an antimalarial. It is an organic peroxide, a member of azulenes, an enone, a secondary alcohol and a sesquiterpenoid.
The molecule COc1cc(\C=C\C(=O)NC[C@H](O)c2ccc(O)cc2)ccc1O COc1cc(\C=C\C(=O)NC[C@H](O)c2ccc(O)cc2)ccc1O is A member of the class of cinnamamides that is an enamide obtained by the formal condensation of the amino group of  (R)-octopamine with the carboxy group of ferulic acid. Isolated from Pisonia aculeata, it exhibits antitubercular activity. It has the role of metabolite . It has the role of antitubercular agent . It has the role of plant metabolite . Its functional parent is trans-ferulic acid . Its functional parent is (R)-octopamine . It is also related to or classified as secondary carboxamide  .   It is also related to or classified as phenols  . It is also related to or classified as cinnamamides , monomethoxybenzene .
The molecule O(C(=O)CCCCCCCCCCCC(=O)C)C O(C(=O)CCCCCCCCCCCC(=O)C)C is Methyl 13-oxotetradecanoate. It is also related to or classified as fatty acid methyl ester  .
The molecule C[C@H](C(C)C)[C@]1(CC[C@@]2(C3=C(CC[C@]2([C@@H]1C(=O)O)C)[C@]4(C[C@H]([C@@H](C([C@@H]4CC3)(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC(=O)C)C)C)C is a triterpene glycoside with strong antifungal activity against Aspergillus fumigatus and Candida albicans. It is isolated from natural Chaetomium sp.no.217. It has a role as an antimicrobial agent, an antifungal agent and a Chaetomium metabolite. It is a triterpenoid saponin, a monocarboxylic acid, an acetate ester and a monosaccharide derivative. It derives from a beta-D-glucose.
The molecule C(CCNCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)C[C@@H](C(=O)O)N is a glyco-amino acid consisting of a D-fructosyl residue attached to the epsilon-amino group of L-lysine. It has a role as an Escherichia coli metabolite. It is a fructosamine and a glyco-amino acid. It is a conjugate base of a fructosyllysine(1+). It is a conjugate acid of a fructosyllysinate.
The molecule CN1C=C(N=C1)CC(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of 1-methyl-4-imidazoleacetic acid, obtained by deprotonation of the carboxy group. It is a conjugate base of a 1-methyl-4-imidazoleacetic acid.
The molecule CC(C)[C@@H](C(=O)[O-])[NH3+] is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-valine; major species at pH 7.3. It is a tautomer of a L-valine.
The molecule [H][C@]1(CC[NH2+]C[C@H]1COc1ccc2OCOc2c1)c1ccc(F)cc1 [H][C@]1(CC[NH2+]C[C@H]1COc1ccc2OCOc2c1)c1ccc(F)cc1 is an organic cation that is the conjugate acid of paroxetine, arising from protonation of the piperidine nitrogen. It is a conjugate acid of paroxetine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)OCCCCCCC=C)NC(=O)C)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)O)O)O is a glycoside formed between the branched tetrasaccharide alpha-L-Fuc-(1->2)-[alpha-D-GalNAc-(1->3)]-beta-D-Gal-(1->3)-beta-D-GlcNAc and the alkenyl alcohol oct-7-en-1-ol. It contains an alpha-L-Fucp-(1->2)-[alpha-D-GalpNAc-(1->3)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc-yl group. It derives from an oct-7-en-1-ol.
The molecule COc1c2OCOc2cc2O[C@@H]([C@@H](O)C(=O)c12)c1ccccc1 COc1c2OCOc2cc2O[C@@H]([C@@H](O)C(=O)c12)c1ccccc1 is an extended flavonoid that consists of (2S)-flavanone substituted by a hydroxy group at position 3, a methoxy group at position 5 and a methylenedioxy group across positions 6 and 7. It has been isolated from Pisonia aculeata. It has the role of plant metabolite . It is also related to or classified as secondary alpha-hydroxy ketone  .  It is also related to or classified as dihydroflavonols  . It is also related to or classified as monomethoxyflavanone , extended flavonoid .
The molecule CCCCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)(O)O)O is a 1-(alk-1-enyl)-sn-glycero-3-phosphate in which the alkenyl group is specified as 1Z-octadecenyl. It is a conjugate acid of a 1-(1Z-octadecenyl)-sn-glycero-3-phosphate(2-).
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O is a steroid glucosiduronic acid that is 16-epiestriol having a single beta-D-glucuronic acid residue attached at position 16. It is a beta-D-glucosiduronic acid and a steroid glucosiduronic acid. It derives from a 16beta-hydroxyestradiol. It is a conjugate acid of a 16-epiestriol 16-O-(beta-D-glucuronide)(1-).
The molecule C1=CC=C2C(=C1)C=CC(=C2[O-])C(=O)O is a hydroxy monocarboxylic acid anion that is the conjugate base of 1-hydroxy-2-naphthoic acid. It has a role as a bacterial xenobiotic metabolite and a fungal xenobiotic metabolite. It derives from a 2-naphthoate. It is a conjugate base of a 1-hydroxy-2-naphthoic acid.
The molecule Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1 Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1 is A thiazolopyrimidine that is 5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one which is substituted at position 7 by a methyl group and at position 6 by a 2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl group. A potent and long-acting seratonin (5-hydroxytryptamine, 5-HT) antagonist of the subtype 5-HT2 (Ki = 0.39 nM), it is used in the treatment of a variety of disorders including anxiety, depression and schizophrenia. It has little sedative action. It has the role of antidepressant . It has the role of anxiolytic drug . It has the role of antipsychotic agent . It has the role of serotonergic antagonist . It has the role of dopaminergic antagonist . It has the role of EC 3.4.21.26 (prolyl oligopeptidase) inhibitor .  It is also related to or classified as organofluorine compound  . It is also related to or classified as piperidines , thiazolopyrimidine .
The molecule CNCC[C@@H](C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl is a hydrochloride obtained by reaction of (S)-fluoxetine with one equivalent of hydrochloric acid. It has a role as an antidepressant and a serotonin uptake inhibitor. It contains a (S)-fluoxetine(1+). It is an enantiomer of a (R)-fluoxetine hydrochloride.
The molecule Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1ccccc1O Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1ccccc1O is A trihydroxyflavanone that is demethoxymatteucinol with an additional hydroxy group at position 2'. Isolated from Pisonia aculeata, it exhibits antitubercular activity. It has the role of antitubercular agent . It has the role of plant metabolite . Its functional parent is matteucinol . It is also related to or classified as trihydroxyflavanone .
The molecule O=C1OC(=O)C2=C1[C@@H](O)[C@@H](C(=C(C(=O)O)C[C@@H](C2)[C@@H](O)[C@H](O)CCCC)C(=O)O)[C@@H](O)CCCCCC O=C1OC(=O)C2=C1[C@@H](O)[C@@H](C(=C(C(=O)O)C[C@@H](C2)[C@@H](O)[C@H](O)CCCC)C(=O)O)[C@@H](O)CCCCCC is Rubratoxin acid B. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CCOC(=O)/C(=C/C1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Cl)/Cl is a carboxylic ester and organochlorine compound that is the ethyl ester of cinidon. It has a role as a herbicide. It is a member of isoindoles, a member of monochlorobenzenes and an ethyl ester.
The molecule OC(=O)\C=C/C(O)=O.[H][C@]1(CCNC[C@H]1COc1ccc2OCOc2c1)c1ccc(F)cc1 OC(=O)\C=C/C(O)=O.[H][C@]1(CCNC[C@H]1COc1ccc2OCOc2c1)c1ccc(F)cc1 is A maleate salt obtained by reaction of paroxetine with one equivalent of maleic acid. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo. It has the role of antidepressant . It has the role of anxiolytic drug . It has the role of P450 inhibitor . It has the role of hepatotoxic agent . It has the role of serotonin uptake inhibitor . It is also related to or classified as maleate salt .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)OCC(=O)COP(=O)(O)O is a 1-acylglycerone 3-phosphate in which the acyl group is specified as arachidonoyl. It derives from an arachidonic acid. It is a conjugate acid of a 1-arachidonoylglycerone 3-phosphate(2-).
The molecule Cc1c(O)c(C)c2occc(=O)c2c1O Cc1c(O)c(C)c2occc(=O)c2c1O is A member of the class of chromones that is chromone substituted by hydroxy groups at positions 5 and 7 and methyl groups at positions 6 and 8 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 chromones , resorcinols .
The molecule B(=O)[O-].[Na+] is an inorganic sodium salt having metaborate as the counterion. It is an inorganic sodium salt and a member of borate salts.
The molecule CCCCCCCCCCCCC(C(=O)[O-])O is a 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxymyristic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a long-chain fatty acid anion and a 2-hydroxy fatty acid anion 14:0. It derives from a tetradecanoate. It is a conjugate base of a 2-hydroxymyristic acid.
The molecule CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O is A pyranoindolizinoquinoline that is pyrano[3',4':6,7]indolizino[1,2-b]quinoline which is substituted by oxo groups at positions 3 and 14, and by an ethyl group and a hydroxy group at position 4 (the S enantiomer). It has the role of antineoplastic agent . It has the role of EC 5.99.1.2 (DNA topoisomerase) inhibitor . It has the role of genotoxin . It has the role of plant metabolite . It is also related to or classified as delta-lactone  .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as quinoline alkaloid , pyranoindolizinoquinoline .
The molecule CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4C(CCCC4O)O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2,6-dihydroxycyclohexane-1-carboxylic acid. It has a role as a mouse metabolite. It derives from a cyclohexane-1-carbonyl-CoA.
The molecule C1CC[C@@]2([C@@H](CC[C@@H](CC)C)[C@H](CC[C@@]2([H])C1(C)C)C)C C1CC[C@@]2([C@@H](CC[C@@H](CC)C)[C@H](CC[C@@]2([H])C1(C)C)C)C is labdane. It is also related to or classified as diterpene  . It is also related to or classified as terpenoid fundamental parent .
The molecule CCCCCCCC/C=C\\C=C\\CC(=O)[O-] is a long-chain unsaturated fatty acid anion that is the conjugate base of (3E,5Z)-tetradecadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a long-chain fatty acid anion, a straight-chain fatty acid anion and a polyunsaturated fatty acid anion. It is a conjugate base of a (3E,5Z)-tetradecadienoic acid.
The molecule CCCCCCCCCCCCCC(=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 CCCCCCCCCCCCCC(=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 an acyl-CoA oxoanion that is the tetraanion of myristoyl-CoA, arising from deprotonation of phosphate and diphosphate functions. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as saturated fatty acyl-CoA(4-)  . It is also related to or classified as long-chain fatty acyl-CoA(4-)  .
The molecule C[C@@H]1NCCC2=C1C=C(O)C(O)=C2 C[C@@H]1NCCC2=C1C=C(O)C(O)=C2 is A 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol that has S-configuration. It has the role of human urinary metabolite . It is also related to or classified as 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol  .
The molecule [NH2+]1[C@@H](C2=C(CC1)C=C(C(=C2)OC)OC)CC3=CC(=C(C=C3)OC)O [NH2+]1[C@@H](C2=C(CC1)C=C(C(=C2)OC)OC)CC3=CC(=C(C=C3)OC)O is major species at pH 7.3. It is also related to or classified as ammonium ion derivative .
The molecule [O-]C(=O)C1=CC(=CC=C1O)C [O-]C(=O)C1=CC(=CC=C1O)C is 5-methylsalicylate. Its functional parent is salicylate . It is also related to or classified as monohydroxybenzoate .
The molecule CCCCC[C@@H](/C=C/C=C\\C/C=C\\C=C\\C(=O)CCCC(=O)O)O is an icosanoid that is (6E,8Z,11Z,13E)-icosatetraenoic acid substituted at positions 5 and 15 by oxo and hydroxy groups respectively. It has a role as a human xenobiotic metabolite. It is an icosanoid, a long-chain fatty acid, an oxo fatty acid, an enone, a secondary allylic alcohol and a hydroxy polyunsaturated fatty acid.
The molecule OC(C(O)=O)c1ccc(O)c(O)c1 OC(C(O)=O)c1ccc(O)c(O)c1 is A catechol that is the 3,4-dihydroxy derivative of mandelic acid; a metabolite of L-dopa. It has the role of antioxidant . It has the role of drug metabolite . It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is mandelic acid . It is a conjugate acid of 3,4-dihydroxymandelate . It is also related to or classified as catechols  . It is also related to or classified as 2-hydroxy monocarboxylic acid .
The molecule CCCCCCCCCCCC(=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 CCCCCCCCCCCC(=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 an acyl-CoA(4-) arising from deprotonation of phosphate and diphosphate functions of lauroyl-CoA; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as saturated fatty acyl-CoA(4-)  . It is also related to or classified as medium-chain fatty acyl-CoA(4-)  .
The molecule COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.Cl is a hydrochloride comprising equimolar amounts of moxifloxacin and hydrogen chloride. It has a role as an antibacterial drug. It contains a moxifloxacinium(1+).
The molecule NC(=[NH2+])NCCC[C@H](NC(=O)CCC([O-])=O)C([O-])=O NC(=[NH2+])NCCC[C@H](NC(=O)CCC([O-])=O)C([O-])=O is an N-acyl-L-alpha-amino acid anion that is the conjugate base of N(2)-succinyl-L-arginine, arising from deprotonation of the carboxy groups and protonation of the amino group; major species at pH 7.3. It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule O1[C@@H](O[C@@H]2[C@H](O)[C@@H](OC(O)[C@H]2O)C)[C@H](NC(=O)C)[C@@H](O)[C@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H]1CO O1[C@@H](O[C@@H]2[C@H](O)[C@@H](OC(O)[C@H]2O)C)[C@H](NC(=O)C)[C@@H](O)[C@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H]1CO is an aminotrisaccharide consisting of beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose and L-furopyranose residues joined in sequence by (1->4) and (1->3) glycosidic bonds. Its functional parent is N-acetyllactosamine . It is also related to or classified as acetamides , amino trisaccharide .
The molecule C[C@]12CC[C@H](C1)C([C@H]2O)(C)C is a fenchane monoterpenoid that is bicyclo[2.2.1]heptane substituted by methyl groups at positions 1, 3 and 3 and a hydroxy group at position 2 (the 1S,2S,4R stereoisomer). It has a role as a plant metabolite and a volatile oil component. It is a fenchane monoterpenoid and a carbobicyclic compound.
The molecule [H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\CC\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2 [H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\CC\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2 is A polyene macrolide antibiotic; part of the nystatin complex produced by several Streptomyces species. It is an antifungal antibiotic used for the treatment of topical fungal infections caused by a broad spectrum of fungal pathogens comprising yeast-like and filamentous species. It is also related to or classified as nystatins .
The molecule COC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC(OC)=C(O)C=C1 COC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC(OC)=C(O)C=C1 is A dimethoxyflavone that is luteolin in which the hydroxy groups at positions 7 and 3' are replaced by methoxy groups. It has the role of antioxidant . It has the role of antibacterial agent . It has the role of anti-allergic agent . It has the role of melanin synthesis inhibitor . It has the role of anti-inflammatory agent . It has the role of plant metabolite . Its functional parent is 4',5,7-trihydroxy-3'-methoxyflavone . It is also related to or classified as dimethoxyflavone , dihydroxyflavone .
The molecule COC(=O)CSC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)N5CCOCC5 COC(=O)CSC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)N5CCOCC5 is LSM-24412. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule Oc1ccc(cc1)-c1cn2c(OS([O-])(=O)=O)c(Cc3ccccc3)nc2c(Cc2ccccc2)n1 Oc1ccc(cc1)-c1cn2c(OS([O-])(=O)=O)c(Cc3ccccc3)nc2c(Cc2ccccc2)n1 is an organosulfate oxoanion that is the conjugate base of Renilla luciferyl sulfate; major species at pH 7.3. It is also related to or classified as aryl sulfate oxoanion  .
The molecule CN(CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C.C(=C/C(=O)O)\\C(=O)O is a fumarate salt obtained by combining Ro 48-8071 with one molar equivalent of fumaric acid. An inhibitor of lanosterol synthase. It has a role as an EC 5.4.99.7 (lanosterol synthase) inhibitor and an antineoplastic agent. It contains a fumarate(1-) and a Ro 48-8071(1+).
The molecule C[C@]1(CC([O-])=O)[C@H](CCC([O-])=O)C2=CC3=[N+]4C(=Cc5c(CCC([O-])=O)c(CC([O-])=O)c6C=C7[N+]8=C(C=C1N2[Co--]48n56)[C@@H](CCC([O-])=O)[C@]7(C)CC([O-])=O)C(CCC([O-])=O)=C3CC([O-])=O C[C@]1(CC([O-])=O)[C@H](CCC([O-])=O)C2=CC3=[N+]4C(=Cc5c(CCC([O-])=O)c(CC([O-])=O)c6C=C7[N+]8=C(C=C1N2[Co--]48n56)[C@@H](CCC([O-])=O)[C@]7(C)CC([O-])=O)C(CCC([O-])=O)=C3CC([O-])=O is A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy groups of cobalt-sirohydrochlorin; major species at pH 7.3. It is also related to or classified as cyclic tetrapyrrole anion .
The molecule CCCCCCCCCC(=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 CCCCCCCCCC(=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 an acyl-CoA(4-) species arising from deprotonation of the phosphate and diphosphate OH groups of decanoyl-CoA. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as saturated fatty acyl-CoA(4-)  . It is also related to or classified as medium-chain fatty acyl-CoA(4-)  .
The molecule CCC=CC=CC=CC=CCCCCCCCC(O)=O CCC=CC=CC=CC=CCCCCCCCC(O)=O is an octadecatetraenoic acid containing a conjugated system of  double bonds at positions 9, 11, 13 and 15. It is also related to or classified as octadecatetraenoic acid .