anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC(=O)C=1C(=C(C(=NC1[2H])[2H])[2H])[2H] OC(=O)C=1C(=C(C(=NC1[2H])[2H])[2H])[2H] is nicotinic-d4 acid. It is also related to or classified as nicotinic acid  . It is also related to or classified as deuterated compound .
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)C(CCC(=O)O)O)O is a hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxyglutaric acid. It derives from a glutaryl-CoA and a 2-hydroxyglutaric acid. It is a conjugate acid of a 2-hydroxyglutaryl-CoA(5-).
The molecule OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F is A fluoroalkanoic acid that is perfluorinated octanoic acid. It has the role of endocrine disruptor . It has the role of surfactant . It has the role of xenobiotic . It has the role of carcinogenic agent . It has the role of environmental contaminant . Its functional parent is octanoic acid . Its functional parent is perfluorooctane . It is also related to or classified as fluoroalkanoic acid .
The molecule O=C(OCC)C[C@@H](NC(=O)C)C1=CC=C(O)C=C1 O=C(OCC)C[C@@H](NC(=O)C)C1=CC=C(O)C=C1 is Ethyl 3(R)-acetamido-3-(4-hydroxyphenyl)propanoate. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1CCC(CC1)C(=O)N2[C@@H]([C@@H](C23CN(C3)C(=O)C4=CC(=CC=C4)F)C5=CC=CC=C5)CO C1CCC(CC1)C(=O)N2[C@@H]([C@@H](C23CN(C3)C(=O)C4=CC(=CC=C4)F)C5=CC=CC=C5)CO is cyclohexyl-[(2S,3S)-6-[(3-fluorophenyl)-oxomethyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]methanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[H])(CC[C@@]4([C@H](C)CCC(C(C)C)=C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[H])(CC[C@@]4([C@H](C)CCC(C(C)C)=C)[H])[H])C)[H])C is A sterol 3-beta-D-glucoside having 24-methylenecholesterol as the sterol component. Its functional parent is 24-methylenecholesterol . It is also related to or classified as sterol 3-beta-D-glucoside  . It is also related to or classified as monosaccharide derivative .
The molecule CC1=CNC(=C1CCC(=O)O)/C=C\\2/C3=CC=CC=C3NC2=O is an oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 3-(2-carboxyethyl)-4-methyl-1H-pyrrol-2-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1. It has a role as a fibroblast growth factor receptor antagonist. It is a monocarboxylic acid, a member of pyrroles and a member of oxindoles. It derives from a 3-methyleneoxindole.
The molecule CC(C(O)=O)c1cccc(Oc2ccccc2)c1 CC(C(O)=O)c1cccc(Oc2ccccc2)c1 is A monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 2 is substituted by a 3-phenoxyphenyl group. A non-steroidal anti-inflammatory drug, the dihydrate form of the calcium salt is used for the management of mild to moderate pain and for the relief of pain and inflammation associated with  disorders such as arthritis. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of antipyretic . It has the role of cyclooxygenase 2 inhibitor . It has the role of cyclooxygenase 1 inhibitor . It has the role of drug allergen . It is a conjugate acid of fenoprofen(1-) . It is also related to or classified as monocarboxylic acid .
The molecule COc1cc(C[C@@H]2COC[C@H]2Cc2ccc3OCOc3c2)cc(OC)c1OC COc1cc(C[C@@H]2COC[C@H]2Cc2ccc3OCOc3c2)cc(OC)c1OC is A lignan that consists of tetrahydrofuran substituted by a 5-methyl-1,3-benzodioxole group at position 3 and a 3,4,5-trimethoxybenzyl group at position 4 (the 3S,4S stereoisomer). It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as lignan  . It is also related to or classified as benzodioxoles , methoxybenzenes , cyclic acetal .
The molecule CCCCCCCCCCCCCCCCCCC(C)O CCCCCCCCCCCCCCCCCCC(C)O is A secondary fatty alcohol that is icosane substituted by a hydroxy group at position 2. It has the role of bacterial metabolite . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as icosanol .
The molecule CC(C)[C@H]1COCC2=CN(CC[C@H](C(=O)N1)CC3=CC=CC=C3)N=N2 CC(C)[C@H]1COCC2=CN(CC[C@H](C(=O)N1)CC3=CC=CC=C3)N=N2 is (4R,7S)-4-(phenylmethyl)-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1N2C(OC(C2(COC(=O)C(CC(C)C)C)C)=O)(CC=3C1=C(O)C4=C5C(=O)C6=C(OC=7C=CC(=CC7C6=O)O[C@@H]8O[C@@H]([C@H](OC(=O)C)[C@@H](C8)O)C)C(C5=CC=C4C3)=O)C O=C1N2C(OC(C2(COC(=O)C(CC(C)C)C)C)=O)(CC=3C1=C(O)C4=C5C(=O)C6=C(OC=7C=CC(=CC7C6=O)O[C@@H]8O[C@@H]([C@H](OC(=O)C)[C@@H](C8)O)C)C(C5=CC=C4C3)=O)C is Neocitreamicin II. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O is A beta-D-galactopyranoside having a 4-nitrophenyl substituent at the anomeric position. It has the role of affinity label . It is also related to or classified as beta-D-galactoside  . It is also related to or classified as monosaccharide derivative .
The molecule C=1(/C(/OC(C1)=O)=C\CO)CO C=1(/C(/OC(C1)=O)=C\CO)CO is A butenolide that is furan-2(5H)-one which is substituted by a hydroxymethyl group at position 4 and a 2-hydroxyethylidene group at position 5 (the 5E isomer). A direct precursor of patulin in cell-free preparations of Penicillium urticae patulin-minus mutants J1 and S11, but not S15. It has the role of mycotoxin . It is also related to or classified as primary allylic alcohol  . It is also related to or classified as butenolide  .
The molecule C(C(C(=O)O)N)Cl is a chloroalanine obtained by replacement of one of the methyl hydrogens of alanine by a chloro group. It is a non-proteinogenic alpha-amino acid, an organochlorine compound and a chloroalanine.
The molecule COc1cc(O)c2c(O)c3c(oc(C)cc3=O)c(-c3c(OC)cc4cc5oc(C)cc(=O)c5c(O)c4c3OC)c2c1 COc1cc(O)c2c(O)c3c(oc(C)cc3=O)c(-c3c(OC)cc4cc5oc(C)cc(=O)c5c(O)c4c3OC)c2c1 is Aurasperone D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule S([C@]1(N(C(=O)[C@]2(SC)CC=3[C@H](N2C1=O)[C@@H](O)C=CC3)C)C)C S([C@]1(N(C(=O)[C@]2(SC)CC=3[C@H](N2C1=O)[C@@H](O)C=CC3)C)C)C is Dehydroxybisdethiobis(methylthio) gliotoxin. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C=12C(OC(C1)=O)=CC(OC2)O C=12C(OC(C1)=O)=CC(OC2)O is A furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 4 an 6 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. Also known as neopatulin, it is a mycotoxic substance produced by Aspergillus and Penicillium species. It has the role of mycotoxin . It has the role of antibacterial agent . It has the role of Penicillium metabolite . It is also related to or classified as gamma-lactone  . It is also related to or classified as lactol  . It is also related to or classified as furopyran .
The molecule CC(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]13CO[C@@]24CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(C[C@H]3O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)(C)C)OC(=O)C is a triterpenoid saponin that is 3,16-dihydroxy-13,28-epoxyoleanane-21,22-diyl diacetate attached to a tetrasaccharide residue at position 3 via a glycosidic linkage. Isolated from the aerial parts of Lysimachia clethroides, it exhibits antineoplastic activity. It has a role as an antineoplastic agent and a plant metabolite. It is an acetate ester, a cyclic ether, a hexacyclic triterpenoid, a secondary alcohol, a tetrasaccharide derivative and a triterpenoid saponin. It derives from a hydride of an oleanane.
The molecule CC(=O)N[C@@H](CO)[C@@H](OC1O[C@H](CO)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](O)[C@H](O)COC1O[C@H](CO)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O CC(=O)N[C@@H](CO)[C@@H](OC1O[C@H](CO)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](O)[C@H](O)COC1O[C@H](CO)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O is an oligosaccharide derivative consisting of -D-GalNAc-ol at the reducing end with two D-GalNAc-(1->4)-D-GlcNAc moities attached via (1->3)- and (1->6)-linkages. It has the role of carbohydrate allergen . It is also related to or classified as glucosamine oligosaccharide , oligosaccharide derivative .
The molecule CCCCCCCCCCC(O)CCCCCCCC CCCCCCCCCCC(O)CCCCCCCC is A secondary fatty alcohol that is nonadecane substituted by a hydroxy group at position 9. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as nonadecanol .
The molecule C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@H](N([C@@H]3C#N)C(=O)NC4CCCC4)CO C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@H](N([C@@H]3C#N)C(=O)NC4CCCC4)CO is (2S,3S,4S)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-N-cyclopentyl-4-(hydroxymethyl)-1-azetidinecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched heptasaccharide derivative consisting of a D-GlcNAc residue at the reducing end with an alpha-D-Man-(1->6)-[beta-D-Xyl-(1->2)]-[alpha-D-Man-(1->3)]-beta-D-Man-(1->4)-beta-D-GlcNAc moiety attached via a (1->4)-linkage and an L-Fuc residue attached via an alpha-(1->3)-linkage. It has the role of carbohydrate allergen . It is also related to or classified as glucosamine oligosaccharide , amino heptasaccharide .
The molecule C1(C(=CC([C@@H]2[C@H]1O2)=O)CO)=O C1(C(=CC([C@@H]2[C@H]1O2)=O)CO)=O is an epoxide resulting from epoxidation of the 5-6 double bond of 2-(hydroxymethyl)-1,4-benzoquinone (the 5S,6R enantiomer). It has the role of Penicillium metabolite . It is also related to or classified as primary allylic alcohol  . It is also related to or classified as epoxide  . It is also related to or classified as cyclic ketone .
The molecule C/C/1=C/2\\[C@@]([C@@H](C(=N2)/C=C\\3/C([C@@H](C(=N3)/C(=C\\4/[C@]([C@H]([C@@H]([N-]4)[C@]5([C@@]([C@@H](C1=N5)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)[O-])/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N.[CH2-][C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co] is a cobalt corrinoid that is the conjugate base of adenosylcobyric acid, obtained by deprotonation of the carboxy group. It is a conjugate base of an adenosylcobyric acid.
The molecule [H][C@]12C[C@@H]3C[C@]1(CC[C@]3(O)CO)[C@@]1(C)CC[C@@H](O)[C@@](C)(CO)[C@]1([H])CC2 [H][C@]12C[C@@H]3C[C@]1(CC[C@]3(O)CO)[C@@]1(C)CC[C@@H](O)[C@@](C)(CO)[C@]1([H])CC2 is A tetracyclic diterpenoid that has an tetradecahydro-8,11a-methanocyclohepta[a]naphthalene skeleton with two hydroxymethyl substituents at positions 4 and 9, two methyl substituents at positions 4 and 11b and two hydroxy substituents at positions 3 and 9. An antibiotic with antiviral and antimitotical properties. Aphidicolin is a reversible inhibitor of eukaryotic nuclear DNA replication. It has the role of EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor . It has the role of antimicrobial agent . It has the role of antineoplastic agent . It has the role of antiviral drug . It has the role of DNA synthesis inhibitor . It has the role of antimitotic . It has the role of apoptosis inducer . It has the role of fungal metabolite . It has the role of Aspergillus metabolite . It is also related to or classified as tetracyclic diterpenoid .
The molecule C1CCN2[C@@H](CN(C1)C(=O)NC3=CC(=CC=C3)F)[C@H]([C@@H]2CO)C4=CC=C(C=C4)C#CC5=CN=CC=C5 C1CCN2[C@@H](CN(C1)C(=O)NC3=CC(=CC=C3)F)[C@H]([C@@H]2CO)C4=CC=C(C=C4)C#CC5=CN=CC=C5 is (8R,9R,10R)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C=1C(=CC=C(C1)C(N2CCC(CC2)O)=O)CCCCCCCC C=1C(=CC=C(C1)C(N2CCC(CC2)O)=O)CCCCCCCC is A tertiary carboxamide resulting from the formal condensation between of the carboxy group of p-octylbenzoic acid with the amino group of 4-hydroxypiperidine. It has the role of EC 2.7.1.91 (sphingosine kinase) inhibitor . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as N-acylpiperidine .
The molecule C1(C(=C[C@@H]([C@@H]2[C@H]1O2)O)CO)=O C1(C(=C[C@@H]([C@@H]2[C@H]1O2)O)CO)=O is A cyclic ketone that is (-)-phyllostine in which the carbonyl group which is furthest from the hydroxymethyl substituent has been formally reduced to give the corresponding secondary alcohol with S configuration. A metabolite of the patulin pathway in Penicillium urticae. It has the role of Penicillium metabolite . It is also related to or classified as primary allylic alcohol  . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as epoxide  .  It is also related to or classified as enone  . It is also related to or classified as cyclic ketone .
The molecule C(C(C(=O)[O-])O)(C(=O)C(=O)[O-])C(=O)[O-] is a tricarboxylic acid trianion that is the conjugate base of 3-oxalomalic acid. It is a conjugate base of a 3-oxalomalic acid.
The molecule O=C1C(O)(CC=CC2C3(C(=O)NC(C3C(C)C4(C2O4)C)CC5=CC=CC=C5)OC(CCC1C)=O)C O=C1C(O)(CC=CC2C3(C(=O)NC(C3C(C)C4(C2O4)C)CC5=CC=CC=C5)OC(CCC1C)=O)C is (10E)-18-benzyl-8-hydroxy-6,8,15,16-tetramethyl-2,14-dioxa-19-azatetracyclo[10.8.0.01,17.013,15]icos-10-ene-3,7,20-trione. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2C=C[C@@]45[C@]3(CC[C@@]6([C@H]4CC(CC6)(C)C)C(=O)O5)C)C)(C)CO)O 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 a role as a metabolite, an anti-HBV agent and a plant metabolite. It is a terpene lactone, a diol and a hexacyclic triterpenoid. It derives from a hydride of an oleanane.
The molecule N(C(C(C(NCCN(CC(NCCNC1=C(NCCNC(CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)=O)C(C1=O)=O)=O)CC(NCCNC8=C(NCCNC(CCCCCO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]%10[C@@H]([C@H]([C@@H]([C@H](O%10)CO)O)O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O)O[C@H]%12[C@@H]([C@H]([C@@H]([C@H](O%12)CO)O)O[C@H]%13[C@@H]([C@H]([C@@H]([C@H](O%13)CO)O)O[C@H]%14[C@@H]([C@H]([C@@H]([C@H](O%14)CO)O)O)O)O)O)O)O)O)=O)C(C8=O)=O)=O)=O)CCOCCOCCOCC#C)=O)CCN(CC(NCCNC%15=C(NCCNC(CCCCCO[C@H]%16[C@@H]([C@H]([C@@H]([C@H](O%16)CO)O)O[C@H]%17[C@@H]([C@H]([C@@H]([C@H](O%17)CO)O)O[C@H]%18[C@@H]([C@H]([C@@H]([C@H](O%18)CO)O)O[C@H]%19[C@@H]([C@H]([C@@H]([C@H](O%19)CO)O)O[C@H]%20[C@@H]([C@H]([C@@H]([C@H](O%20)CO)O)O[C@H]%21[C@@H]([C@H]([C@@H]([C@H](O%21)CO)O)O)O)O)O)O)O)O)=O)C(C%15=O)=O)=O)CC(NCCNC%22=C(NCCNC(CCCCCO[C@H]%23[C@@H]([C@H]([C@@H]([C@H](O%23)CO)O)O[C@H]%24[C@@H]([C@H]([C@@H]([C@H](O%24)CO)O)O[C@H]%25[C@@H]([C@H]([C@@H]([C@H](O%25)CO)O)O[C@H]%26[C@@H]([C@H]([C@@H]([C@H](O%26)CO)O)O[C@H]%27[C@@H]([C@H]([C@@H]([C@H](O%27)CO)O)O[C@H]%28[C@@H]([C@H]([C@@H]([C@H](O%28)CO)O)O)O)O)O)O)O)O)=O)C(C%22=O)=O)=O N(C(C(C(NCCN(CC(NCCNC1=C(NCCNC(CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)=O)C(C1=O)=O)=O)CC(NCCNC8=C(NCCNC(CCCCCO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]%10[C@@H]([C@H]([C@@H]([C@H](O%10)CO)O)O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O)O[C@H]%12[C@@H]([C@H]([C@@H]([C@H](O%12)CO)O)O[C@H]%13[C@@H]([C@H]([C@@H]([C@H](O%13)CO)O)O[C@H]%14[C@@H]([C@H]([C@@H]([C@H](O%14)CO)O)O)O)O)O)O)O)O)=O)C(C8=O)=O)=O)=O)CCOCCOCCOCC#C)=O)CCN(CC(NCCNC%15=C(NCCNC(CCCCCO[C@H]%16[C@@H]([C@H]([C@@H]([C@H](O%16)CO)O)O[C@H]%17[C@@H]([C@H]([C@@H]([C@H](O%17)CO)O)O[C@H]%18[C@@H]([C@H]([C@@H]([C@H](O%18)CO)O)O[C@H]%19[C@@H]([C@H]([C@@H]([C@H](O%19)CO)O)O[C@H]%20[C@@H]([C@H]([C@@H]([C@H](O%20)CO)O)O[C@H]%21[C@@H]([C@H]([C@@H]([C@H](O%21)CO)O)O)O)O)O)O)O)O)=O)C(C%15=O)=O)=O)CC(NCCNC%22=C(NCCNC(CCCCCO[C@H]%23[C@@H]([C@H]([C@@H]([C@H](O%23)CO)O)O[C@H]%24[C@@H]([C@H]([C@@H]([C@H](O%24)CO)O)O[C@H]%25[C@@H]([C@H]([C@@H]([C@H](O%25)CO)O)O[C@H]%26[C@@H]([C@H]([C@@H]([C@H](O%26)CO)O)O[C@H]%27[C@@H]([C@H]([C@@H]([C@H](O%27)CO)O)O[C@H]%28[C@@H]([C@H]([C@@H]([C@H](O%28)CO)O)O)O)O)O)O)O)O)=O)C(C%22=O)=O)=O is A dendrimer macromolecule consisting of a malonamide core, each N of which carries a 2-[bis(2-{[2-({2-[(2-{[6-(beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyloxy)hexanoyl]amino}ethyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)ethyl]amino}-2-oxoethyl)amino]ethyl branch and with a 2-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)ethyl substituent at C-2. It is also related to or classified as dendrimer macromolecule .
The molecule C1CCC(CC1)C(CC1CCCCN1)C1CCCCC1 C1CCC(CC1)C(CC1CCCCN1)C1CCCCC1 is perhexiline. It has the role of cardiovascular drug . It is also related to or classified as piperidines .
The molecule [C@H]1(C(N([C@H](C(=O)O[C@@H](C(N([C@H](C(=O)O[C@@H](C(N([C@H](C(=O)O[C@@H](C(N([C@H](C(=O)O1)CC(C)C)C)=O)C(C)C)CC(C)C)C)=O)C(C)C)CC(C)C)C)=O)C(C)C)CC(C)C)C)=O)C(C)C [C@H]1(C(N([C@H](C(=O)O[C@@H](C(N([C@H](C(=O)O[C@@H](C(N([C@H](C(=O)O[C@@H](C(N([C@H](C(=O)O1)CC(C)C)C)=O)C(C)C)CC(C)C)C)=O)C(C)C)CC(C)C)C)=O)C(C)C)CC(C)C)C)=O)C(C)C is A cyclodepsipeptide consisting of a cyclic tetramer of the depsipeptide D-Hiv-N-methyl-L-leucine (where D-Hiv = D-alpha-hydroxyisovaleric acid). Found in the fungal species Beauveria bassiana and Verticillium lecanii, it has insecticidal properties and is used as a commercial biopesticide to control of insects of agricultural, veterinary and medical significance. For elucidation of the structure, see Suzuki et al., Tetrahedron Lett. 1977 v25, 2167-2170. It has the role of insecticide . It has the role of antineoplastic agent . It has the role of fungal metabolite .  It is also related to or classified as cyclodepsipeptide  . It is also related to or classified as cyclooctadepsipeptide .
The molecule CCC(CO)C(=O)[O-] is a hydroxy fatty acid anion that is the conjugate base of 2-(hydroxymethyl)butanoic acid. It has a role as a human metabolite. It is a conjugate base of a 2-ethylhydracrylic acid.
The molecule C[C@@H]1OC(O[C@@H]2[C@@H](CO)OC(O[C@H]([C@H](CO)NC(C)=O)[C@@H](O)[C@H](O)CO)[C@H](NC(C)=O)[C@H]2OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O C[C@@H]1OC(O[C@@H]2[C@@H](CO)OC(O[C@H]([C@H](CO)NC(C)=O)[C@@H](O)[C@H](O)CO)[C@H](NC(C)=O)[C@H]2OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O is A branched amino pentasaccharide compound consisting of a D-GalNAc-(1->3)-[D-GalNAc-(1->2)-L-Fuc-(1->4)]-D-GlcNAc moiety attached to N-acetyl-D-galactosaminitol via a (1->3)-linkage. It has the role of carbohydrate allergen . It is also related to or classified as amino pentasaccharide .
The molecule CCCCCCCCCCC(O)CCCCCCCCC CCCCCCCCCCC(O)CCCCCCCCC is A secondary fatty alcohol that is icosane substituted by a hydroxy group at position 10. It has the role of plant metabolite . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as icosanol .
The molecule OC12CC3CC(C1)OC(=O)C(C3)C2 OC12CC3CC(C1)OC(=O)C(C3)C2 is 1-hydroxy-4-oxahomoadamantan-5-one. Its functional parent is 4-oxahomoadamantan-5-one . It is also related to or classified as epsilon-lactone .
The molecule C([C@H](CC1=CC=CC=C1)NC(=O)C=2C=CC=CC2)O C([C@H](CC1=CC=CC=C1)NC(=O)C=2C=CC=CC2)O is A member of the class of benzamides resulting from the formal condensation of the carboxy group of benzoic acid with the amino group of L-phenylalaninol. It has the role of plant metabolite . It has the role of fungal metabolite . Its functional parent is benzoic acid . Its functional parent is L-phenylalaninol . It is also related to or classified as secondary carboxamide  . It is also related to or classified as primary alcohol  . It is also related to or classified as benzamides .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)O)O is a 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-galactopyranose in which the galactose residue has beta-configuration at the anomeric centre. It is an oligosaccharide sulfate, a 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-glucopyranose and a member of acetamides. It derives from a beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc and a 4-deoxy-Delta(4)-beta-D-GlcpA. It is a conjugate acid of a beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc6S(2-).
The molecule O1C(C)=C(OS(=O)(=O)O)C(=O)C=C1 O1C(C)=C(OS(=O)(=O)O)C(=O)C=C1 is maltol sulfate. Its functional parent is 3-hydroxy-2-methyl-4-pyrone . It is also related to or classified as aryl sulfate .
The molecule C(CCCCCCCC(C(=O)[O-])O)CC C(CCCCCCCC(C(=O)[O-])O)CC is A 2-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of 2-hydroxydodecanoic acid. The major microspecies at pH 7.3. Its functional parent is dodecanoate . It is also related to or classified as 2-hydroxy fatty acid anion  .
The molecule C([C@H](CC1=CC=CC=C1)NC(=O)C=2C=CC=CC2)(=O)[O-] C([C@H](CC1=CC=CC=C1)NC(=O)C=2C=CC=CC2)(=O)[O-] is an N-acyl-L-alpha-amino acid anionresulting from the deprotonation of the carboxy group of N-benzoyl-L-phenylalanine. The major species at pH 7.3. It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule CC(C)NC[C@@H](C1=CC(=CC(=C1)O)O)O.CC(C)NC[C@@H](C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O is an alkylammonium sulfate obtained by combining (R)-orciprenaline and sulfuric acid in a 2:1 ratio. It contains a (R)-orciprenaline(1+). It is an enantiomer of a (S)-orciprenaline sulfate.
The molecule O(C(CCCCCCC/C=C\CCCCCCCC)=O)CC(COC(=O)CCCCCCCCC)O O(C(CCCCCCC/C=C\CCCCCCCC)=O)CC(COC(=O)CCCCCCCCC)O is 1-decanoyl-3-oleoylglycerol. It is also related to or classified as diacylglycerol 28:1  . It is also related to or classified as 1,3-diglyceride  .
The molecule O[C@@H](CNC(=O)C1=CC(NC2COC2)=NC=N1)NC1CCC2=C(C1)C=CC=C2 O[C@@H](CNC(=O)C1=CC(NC2COC2)=NC=N1)NC1CCC2=C(C1)C=CC=C2 is potent and selective PRMT5 inhibitor (Biotechne/Tocris, cat# 6516). It is also related to or classified as organic molecular entity .