anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC(CCN1CCCCC1)(C1CC2CC1C=C2)c1ccccc1 OC(CCN1CCCCC1)(C1CC2CC1C=C2)c1ccccc1 is A member of the class of piperidines that is N-propylpiperidine in which the methyl hydrogens have been replaced by hydroxy, phenyl, and 5-norbornen-2-yl groups. A muscarinic antagonist affecting both the central and peripheral nervous systems, it is used in the treatment of all forms of Parkinson's disease. It has the role of antidote to sarin poisoning . It has the role of antiparkinson drug . It has the role of muscarinic antagonist . It has the role of parasympatholytic . It has the role of antidyskinesia agent .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as piperidines , tertiary amino compound .
The molecule O(C(=O)CC(CC=O)/C(=C/C)/C=O)CCC1=CC(O)=C(O)C=C1 O(C(=O)CC(CC=O)/C(=C/C)/C=O)CCC1=CC(O)=C(O)C=C1 is Oleacein. It is also related to or classified as alcohol  . It is also related to or classified as phenols  .
The molecule C=1C2=C(C=CC=C2)C([C@H](NC(C=3C(=CC=C(C3)CN)C)=O)C)=CC1 C=1C2=C(C=CC=C2)C([C@H](NC(C=3C(=CC=C(C3)CN)C)=O)C)=CC1 is 5-(Aminomethyl)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide. It has the role of anticoronaviral agent . It is also related to or classified as naphthalenes .
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC([O-])=O)C(=O)C1=CC=CC=C1 CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC([O-])=O)C(=O)C1=CC=CC=C1 is an acyl-CoA(4-) arising from deprotonation of the phosphate, diphosphate and carboxy groups of (S)-2-benzoylsuccinyl-CoA. It is also related to or classified as acyl-CoA(4-)  .
The molecule CC1=C(C[C@@H](OC1=O)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4([C@H](C[C@@H](C5)O)O)CO)C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O is a withanolide saponin that consists of 22,26-epoxyergosta-5,24-dien-28-ol substituted by additional hydroxy groups at positions 1, 3 and 19, an oxo group at position 26 and a beta-D-glucopyranosyl residue at position 28 via a glycosidic linkage. It has been isolated from the aerial parts of Physalis longifolia. It has a role as a plant metabolite. It is a delta-lactone, a 1-hydroxy steroid, a 19-hydroxy steroid, a beta-D-glucoside, an ergostanoid, a monosaccharide derivative, a withanolide saponin and a 3beta-hydroxy-Delta(5)-steroid.
The molecule [H][C@@]12CC[C@@]3(C)OO[C@]11[C@]([H])(OC(O)[C@H](C)[C@]1([H])CC[C@H]2C)O3 [H][C@@]12CC[C@@]3(C)OO[C@]11[C@]([H])(OC(O)[C@H](C)[C@]1([H])CC[C@H]2C)O3 is A sesquiterpenoid compound which is used as a drug for treatment of malaria. It has the role of antimalarial . It is also related to or classified as sesquiterpenoid .
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 beta-D-galactosyl-(1<->1')-N-acylsphinganine in which the acyl group is specified as octadecanoyl. It has a role as a mouse metabolite. It derives from an octadecanoic acid.
The molecule COC(=O)C1=C(C=CS1)NC(=O)CC2=CC=CS2 is a carboxamide resulting from the formal condensation of the carboxy group of 2-thienylacetic acid with the amino group of methyl 3-aminothiophene-2-carboxylate. It is a selective inhibitor of c-Jun N-terminal kinases (JNKs). It has a role as a c-Jun N-terminal kinase inhibitor. It is a methyl ester, a member of thiophenes and a secondary carboxamide. It derives from a 2-thienylacetic acid.
The molecule NC(=O)C1=CN([C@@H](O)CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O NC(=O)C1=CN([C@@H](O)CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O is A doubly-charged nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of (S)-NADHX; major species at pH 7.3. Its functional parent is NADH(2-) . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C is bexarotene. It has the role of antineoplastic agent .   It is also related to or classified as retinoid  . It is also related to or classified as benzoic acids , naphthalenes .
The molecule O=C1OC(=CC=2C1=C(OC(=O)C)C=3O[C@@]4(OC5=C(OC(=O)C)C6=C(OC(=O)C)C(OC)=CC(=C6C(=C5C4=O)OC(=O)C)OC(=O)C)CCC3C2)C O=C1OC(=CC=2C1=C(OC(=O)C)C=3O[C@@]4(OC5=C(OC(=O)C)C6=C(OC(=O)C)C(OC)=CC(=C6C(=C5C4=O)OC(=O)C)OC(=O)C)CCC3C2)C is 7,8-dideoxy-6-oxo-griseorhodin C pentaacetate. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [NH3+][C@@H]1CCCCNC1=O [NH3+][C@@H]1CCCCNC1=O is conjugate acid of D-2-aminohexano-6-lactam. It is a conjugate acid of D-2-aminohexano-6-lactam . It is also related to or classified as ammonium ion derivative .
The molecule O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C is Kaempferol 3-neohesperidoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2O)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O is a trisaccharide that is lactose in which the hydroxy group at position 3 of the glucosyl moiety has undergone formal condensation with the anomeric hydroxy group of fucose (6-deoxy-L-galactose) to give the corresponding glycoside. Found in human milk. It has a role as a human metabolite. It derives from a lactose.
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC(C4=CC(OC)=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C(OC)=C4)=CC(=O)C3=C(O)C2)CO[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC(C4=CC(OC)=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C(OC)=C4)=CC(=O)C3=C(O)C2)CO[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C is Tricin 7-rutinoside-4'-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC(=O)N[C@@H](CCC=O)C([O-])=O CC(=O)N[C@@H](CCC=O)C([O-])=O is 2-acetamido-5-oxopentanoate. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as alpha-amino-acid anion .
The molecule O=C1OC(=CC(=C1)O)[C@H]2C3=C(C(O)=CC=C3)C(=O)C[C@]2(O)C4=CC=CC=C4 O=C1OC(=CC(=C1)O)[C@H]2C3=C(C(O)=CC=C3)C(=O)C[C@]2(O)C4=CC=CC=C4 is Wailupemycin D. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule C=1(C2=C(C=C(C1)OC)C=C3C(C2=O)=C(C4(C(C3)(CC(=C(C4=O)C(C)=O)O)O)O)O)O C=1(C2=C(C=C(C1)OC)C=C3C(C2=O)=C(C4(C(C3)(CC(=C(C4=O)C(C)=O)O)O)O)O)O is A member of the class of tetracyclines with formula C21H18O9, originally isolated from Aspergillus niger. It has the role of neuropeptide Y receptor antagonist . It has the role of Aspergillus metabolite . It is also related to or classified as tertiary alpha-hydroxy ketone  .  It is also related to or classified as enol  . It is also related to or classified as phenols  .   It is also related to or classified as enone  . It is also related to or classified as tetracyclines , aromatic ether , cyclic ketone , methyl ketone .
The molecule CCCCC/C=C/C=C/C=O is a polyunsaturated fatty aldehyde that is decanal which has undergone formal dehydrogenation to introduce trans- double bonds at the 2-3 and 4-5 positions. A product of lipid peroxidation in cell membranes and a component of cooking oil fumes. It has a role as a nematicide and an apoptosis inducer.
The molecule C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C is a bile acid anion that is the conjugate base of murideoxycholic acid. It has a role as a human metabolite and a mouse metabolite. It is a conjugate base of a murideoxycholic acid.
The molecule [C@H]12N3C=4N=C(NC(C4N=C3[C@H]([C@]([C@H](C1)O)(O2)[H])OP(O)(O)=O)=O)N [C@H]12N3C=4N=C(NC(C4N=C3[C@H]([C@]([C@H](C1)O)(O2)[H])OP(O)(O)=O)=O)N is an organic heterotetracyclic compound obtained by intramolecular formation of a C-C bond between positions 8 and 5' of dGMP. It has the role of Mycoplasma genitalium metabolite . Its functional parent is 2'-deoxyguanosine 5'-monophosphate . It is also related to or classified as N-glycosyl compound  .  It is also related to or classified as secondary alcohol  .   It is also related to or classified as phosphate monoester  . It is also related to or classified as aromatic amine , bridged compound , organic heterotetracyclic compound .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F is 4,4,4-trifluoro-N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 is A dihydroxyanthraquinone that is  chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe. It has the role of antineoplastic agent . It has the role of plant metabolite . Its functional parent is chrysazin . It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as dihydroxyanthraquinone  .
The molecule CC(C)(C)[C@]1(CCN2C[C@@H]3C4=CC=CC=C4CCC5=C3C(=CC=C5)[C@H]2C1)O is an organic heteropentacyclic compound that is 2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinoline substituted at position 3 by both hydroxy and tert-butyl groups. It has a role as a dopaminergic antagonist. It is an organic heteropentacyclic compound, a tertiary alcohol, a tertiary amino compound and an amino alcohol.
The molecule OC=1C(=C(CCCCCCCCCCCCC)C=CC1)C(O)=O OC=1C(=C(CCCCCCCCCCCCC)C=CC1)C(O)=O is 2-Hydroxy-6-tridecylbenzoic acid. Its functional parent is salicylic acid . It is also related to or classified as hydroxybenzoic acid .
The molecule O=C1C2=C(OC(=C1)C)C3=C(O)C=4C(=O)CCC4C=C3C=C2O O=C1C2=C(OC(=C1)C)C3=C(O)C=4C(=O)CCC4C=C3C=C2O is Coneuplectin. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H]1C[C@H]2[C@@H]([C@@H](C(=O)O2)C)[C@@H]([C@]3([C@H]1C=CC3=O)C)O is a pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis. It has a role as an anti-inflammatory agent and a plant metabolite. It is a gamma-lactone, a cyclic ketone, an organic heterotricyclic compound, a pseudoguaianolide and a secondary alcohol.
The molecule O1C=2C(=C([O-])C=3C(C2)=CC(OC)=CC3OC)C(=O)C=C1C O1C=2C(=C([O-])C=3C(C2)=CC(OC)=CC3OC)C(=O)C=C1C is A phenolate anion obtained by deprotonation of the 5-hydroxy group of rubrofusarin B. It is the major microspecies at pH 7.3. It is also related to or classified as phenolate anion .
The molecule CSCCCCCCC(C(=O)O)N(O)O is an N,N-dihydroxy-alpha-amino acid having a 7-thiaoctyl substituent at the 2-position. It derives from a tetrahomomethionine. It is a conjugate acid of a N,N-dihydroxytetrahomomethioninate.
The molecule C(C(C=O)O)S(=O)(=O)[O-] is an organosulfonate oxoanion that is the conjugate base of 3-sulfolactaldehyde, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of a 3-sulfolactaldehyde.
The molecule Cl.Cc1c(oc2c(cccc2c1=O)C(=O)OCCN1CCCCC1)-c1ccccc1 Cl.Cc1c(oc2c(cccc2c1=O)C(=O)OCCN1CCCCC1)-c1ccccc1 is the hydrochloride salt of flavoxate. It has the role of muscarinic antagonist . It has the role of parasympatholytic . It has the role of antispasmodic drug . It is also related to or classified as hydrochloride .
The molecule O\N=C(/C(=O)N[C@H]1CN([C@@H](C([O-])=O)c2ccc(O)cc2)C1=O)c1ccc(O)cc1 O\N=C(/C(=O)N[C@H]1CN([C@@H](C([O-])=O)c2ccc(O)cc2)C1=O)c1ccc(O)cc1 is conjugate base of nocardicin E. It is a conjugate acid of nocardicin E(2-) . It is also related to or classified as monocarboxylic acid anion  .
The molecule NCCCCC(N)C([O-])=O NCCCCC(N)C([O-])=O is an alpha-amino-acid anion that is the conjugate base of lysine, arising from deprotonation of the carboxy group. It is also related to or classified as alpha-amino-acid anion .
The molecule O/C(/C/C=C\CCCCC)=C/C/C=C\C/C=C\CCCC(O)=O O/C(/C/C=C\CCCCC)=C/C/C=C\C/C=C\CCCC(O)=O is 12 Hydroxy arachidonic acid. It is also related to or classified as long-chain fatty acid  .
The molecule C1COC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-] is a member of the class of oxazolidines that is 1,3-oxazolidin-2-one in which the hydrogen attached to the nitrogen is replaced by an N-{[(5-nitro-2-furyl)methylene]amino} group. It has antibacterial and antiprotozoal properties, and is used in the treatment of giardiasis and cholera. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor, an antitrichomonal drug, an antiinfective agent and an antibacterial drug. It is a member of oxazolidines and a nitrofuran antibiotic.
The molecule CCCCCCCCCCCC(=O)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 CCCCCCCCCCCC(=O)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 3-oxotetradecanoyl-CoA. 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 myristoyl-CoA . Its functional parent is 3-oxotetradecanoic acid . It is a conjugate acid of 3-oxotetradecanoyl-CoA(4-) . It is also related to or classified as 3-oxo-fatty acyl-CoA  .
The molecule O(C(CO)COC(CCCCCCC/C=C\CCCCCC)=O)C(CCCCCCC/C=C\CCCCCC)=O O(C(CO)COC(CCCCCCC/C=C\CCCCCC)=O)C(CCCCCCC/C=C\CCCCCC)=O is A 1,2-diglyceride in which the acyl groups at positions 1 and 2 are specified as (9Z)-hexadecenoyl. It has the role of Mycoplasma genitalium metabolite . Its functional parent is palmitoleic acid . It is also related to or classified as 1,2-diglyceride  . It is also related to or classified as diacylglycerol 32:2  .
The molecule O1C2=C(C(C=C1C)=O)C(=C3C(=CC(=CC3=C2)OC)O)O O1C2=C(C(C=C1C)=O)C(=C3C(=CC(=CC3=C2)OC)O)O is A member of the class of benzochromenones that is benzo[g]chromen-4-one carrying two additional hydroxy substituents at positions 5 and 6 as well as methyl and methoxy substituents at positions 2 and 8 respectively. An orange polyketide pigment that is a common intermediate in many different fungal biosynthetic pathways. It has the role of biological pigment . It has the role of EC 1.14.18.1 (tyrosinase) inhibitor . It has the role of fungal metabolite . It is a conjugate acid of rubrofusarin(1-) . It is also related to or classified as polyketide  . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , benzochromenone .
The molecule CC/C=C\\C/C=C\\C[C@@H]([C@@H](/C=C/C=C/C=C\\C/C=C\\CCC(=O)O)O)O is a dihydroxydocosahexaenoic acid that is (4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 13R- and 14S-positions. It has a role as a human xenobiotic metabolite, an anti-inflammatory agent and a specialised pro-resolving mediator. It is a dihydroxydocosahexaenoic acid and a secondary allylic alcohol. It is a conjugate acid of a (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate.
The molecule O=C1N2[C@](O)(C(=O)N(C1=C)C)CC=3[C@H]2[C@@H](OC(=O)C)C=CC3 O=C1N2[C@](O)(C(=O)N(C1=C)C)CC=3[C@H]2[C@@H](OC(=O)C)C=CC3 is Dichotocejpin B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)N is a UDP-amino sugar having 4-amino-4-deoxy-beta-L-arabinopyranose as the amino sugar component. It has a role as an Escherichia coli metabolite. It derives from a 4-amino-4-deoxy-beta-L-arabinopyranose. It is a conjugate acid of an UDP-4-amino-4-deoxy-beta-L-arabinopyranose(1-).
The molecule C/C(=N\\OCC1=CC=CC=C1/C(=N\\OC)/C(=O)OC)/C2=CC(=CC=C2)C(F)(F)F is the methyl ester of (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetic acid. A foliar applied fungicide for cereals which is particularly active against Ascomycetes, Deuteromycetes and Oomycetes It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is an oxime O-ether, an organofluorine compound, a methyl ester and a methoxyiminoacetate strobilurin antifungal agent.
The molecule [Sb] [Sb] is antimony atom.  It is also related to or classified as pnictogen  . It is also related to or classified as metalloid atom .
The molecule C[NH+]1CCC[C@@H]1c1cccnc1 C[NH+]1CCC[C@@H]1c1cccnc1 is the conjugate acid of (R)-nicotine arising from selective protonation of the tertiary amino group; major species at pH 7.3. It is a conjugate acid of (R)-nicotine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CC\C=C/CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@@H](\C=C(/C)C(=O)OC)C1(C)C CC\C=C/CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@@H](\C=C(/C)C(=O)OC)C1(C)C is jasmolin II. It is also related to or classified as methyl ester  . It is also related to or classified as pyrethrins  .
The molecule [H][C@]1(CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)[C@H](O)[C@H](OC)[C@H]([C@H]2O)N(C)C(=O)CN)O1)[C@H](C)N [H][C@]1(CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)[C@H](O)[C@H](OC)[C@H]([C@H]2O)N(C)C(=O)CN)O1)[C@H](C)N is an amino cyclitol glycoside that is L-chiro-inositol in which the hydroxy groups at positions 1, 4, and 6 are replaced by aminoacetyl)methylamino, amino, and methoxy groups, respectively, and in which the hydroxy group at position 3 is converted to the corresponding 2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranoside. The major component of fortimicin, obtained from Micromonospora olivasterospora. It is administered (as the sulfate salt) by intramuscular injection or intravenous infusion for the treatment of severe systemic infections due to sensitive Gram-negative organisms. It has the role of metabolite . It has the role of antibacterial agent .   It is also related to or classified as diol  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as amino cyclitol glycoside , aminoglycoside antibiotic , primary amino compound .
The molecule ClC1=C(Cl)C(=CC=C1)N1CCN(CCCCOC2=CC=C3CCC(=O)NC3=C2)CC1 ClC1=C(Cl)C(=CC=C1)N1CCN(CCCCOC2=CC=C3CCC(=O)NC3=C2)CC1 is an N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders. It has the role of serotonergic agonist . It has the role of H1-receptor antagonist . It has the role of drug metabolite . It has the role of second generation antipsychotic . It is also related to or classified as dichlorobenzene  .     It is also related to or classified as delta-lactam  . It is also related to or classified as quinolone , aromatic ether , N-alkylpiperazine , N-arylpiperazine .
The molecule C1=C(C(C=CN1C[C@@H](C([O-])=O)[NH3+])=O)O C1=C(C(C=CN1C[C@@H](C([O-])=O)[NH3+])=O)O is an amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of L-mimosine; major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as amino-acid zwitterion .
The molecule CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a palmitoyl (hexadecanoyl) group attached to the nitrogen. It has a role as an epitope. It derives from an alpha-D-galactose.
The molecule O=C(N)C1=C(N)C(O)=C(O)C(=C1)OC O=C(N)C1=C(N)C(O)=C(O)C(=C1)OC is 2-amino-3,4-dihydroxy-5-methoxybenzamide. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C is N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)[C@H](C(=O)NC1=CC=C(C=C1)C(=O)NO)C1=CC=CC=C1 CC(C)[C@H](C(=O)NC1=CC=C(C=C1)C(=O)NO)C1=CC=CC=C1 is A secondary carboxamide resulting from the formal condensation of the carboxy group of (2S)-3-methyl-2-phenylbutanoic acid with the amino group of 4-amino-N-hydroxybenzamide. It is a pan-HDAC inhibitor that was in clinical development for the treatment of hematological malignancies and solid tumours. It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as secondary carboxamide  . It is also related to or classified as benzenes , hydroxamic acid .
The molecule O1C=2C(=C(O)C=3C(C2)=CC(OC)=CC3OC)C(=O)C=C1C O1C=2C(=C(O)C=3C(C2)=CC(OC)=CC3OC)C(=O)C=C1C is A benzochromenone that is rubrofusarin in which the hydroxy group at position 6 has been converted to the corresponding methyl ether. It has the role of Aspergillus metabolite . Its functional parent is rubrofusarin . It is a conjugate acid of rubrofusarin B(1-) . It is also related to or classified as polyketide  . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , naphtho-gamma-pyrone , benzochromenone .
The molecule CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)CCCCCCCC=CCCCCCCCC)O is a sialotriaosylceramide that is N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is octadec-9-enoyl. A synthetic modification of the natural ganglioside GM2.
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)CCC(=O)C4=CC=CC=C4C(=O)O)O is a member of the class of acyl-CoAs that is the S-[4-(2-carboxyphenyl)-4-oxobutanoyl] derivative of coenzyme A. It has a role as an Escherichia coli metabolite. It derives from a 2-succinylbenzoic acid. It is a conjugate acid of a 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5-).
The molecule [O-][W]([O-])(=O)=O [O-][W]([O-])(=O)=O is A divalent inorganic anion obtained by removal of both protons from tungstic acid. It is also related to or classified as tungsten oxoanion , divalent inorganic anion .
The molecule C1(=NC=NC2=C1C(=NN2C3CCCC3)C=4C=NC=5NC=CC5C4)N C1(=NC=NC2=C1C(=NN2C3CCCC3)C=4C=NC=5NC=CC5C4)N is A pyrazolopyrimidine that is 1H-pyrazolo[3,4-d]pyrimidine which is substituted by a cyclopentyl, 1H-pyrrolo[2,3-b]pyridin-5-yl, and amino groups at positions 1, 3 and 4, respectively. It is a dual inhibitor of tyrosine and phosphoinositide kinases and exhibits anti-cancer properties. It has the role of antineoplastic agent . It has the role of tyrosine kinase inhibitor . It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor . It is also related to or classified as cyclopentanes , aromatic amine , pyrazolopyrimidine , pyrrolopyridine .