anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H](CCCCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of bkas#34. It is also related to or classified as organic molecular entity .
The molecule O=C1OCC2=C[C@H]3OC([C@@]4(C3[C@@](C2=C1)(CC[C@H]4O)C)C)=O O=C1OCC2=C[C@H]3OC([C@@]4(C3[C@@](C2=C1)(CC[C@H]4O)C)C)=O is (1S,9R,12R,13R)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C1OCCc2ccccc12 O=C1OCCc2ccccc12 is the simplest member of the class of dihydroisocoumarins that is the 3,4-dihydro derivative of isocoumarin. Its functional parent is isocoumarin . It is also related to or classified as dihydroisocoumarins .
The molecule O1[C@H]2N3[C@H]4[C@H](N5CCO[C@@H]5[C@H]6C[C@@H]2N(C)[C@@H]46)C=7C([C@@H]3C1)=C(O)C(OC)=C(C)C7O O1[C@H]2N3[C@H]4[C@H](N5CCO[C@@H]5[C@H]6C[C@@H]2N(C)[C@@H]46)C=7C([C@@H]3C1)=C(O)C(OC)=C(C)C7O is Bioxalomycin alpha2. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .
The molecule C[C@H](CCCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of bkas#34. It is also related to or classified as organic molecular entity .
The molecule [H][C@@]12CO[C@@H](c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@]1([H])CO[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 [H][C@@]12CO[C@@H](c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@]1([H])CO[C@H]2c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 is A beta-D-glucoside that is the 4,4'-bis(beta-D-glucosyl) derivative of (-)-syringaresinol. It has the role of antioxidant . It has the role of anti-inflammatory agent . It has the role of plant metabolite . Its functional parent is (-)-syringaresinol . It is also related to or classified as beta-D-glucoside  .
The molecule N[C@@H](Cc1ccc([OH+])cc1)C(O)=O N[C@@H](Cc1ccc([OH+])cc1)C(O)=O is L-tyrosinyl radical cation. Its functional parent is L-tyrosine . It is a conjugate acid of L-tyrosinyl radical . It is also related to or classified as tyrosinyl radical cation  .
The molecule ClCC[C@@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@@H](O)[C@@H]3C=CCCC3 ClCC[C@@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@@H](O)[C@@H]3C=CCCC3 is Salinosporamide F. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@H](CCCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of bkas#32-CoA. It is also related to or classified as organic molecular entity .
The molecule O1C([C@H](O)[C@@H](O)[C@@H]1CO)C=2C(O)=C(C3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C(O)=C4C2OC(=CC4=O)C5=CC=C(O)C=C5 O1C([C@H](O)[C@@H](O)[C@@H]1CO)C=2C(O)=C(C3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C(O)=C4C2OC(=CC4=O)C5=CC=C(O)C=C5 is Apigenin glucoside arabinoside. It is also related to or classified as C-glycosyl compound , flavonoids .
The molecule O=C1O[C@@H](CCCC(=O)CCCC(CC=2C1=C(O)C=C(O)C2)=O)C O=C1O[C@@H](CCCC(=O)CCCC(CC=2C1=C(O)C=C(O)C2)=O)C is Neocosmosin B. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule C[C@H](CCCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of bkas#32. It is also related to or classified as organic molecular entity .
The molecule O(C(C1=CC=CC=C1)=C(OC)C(O)=O)C O(C(C1=CC=CC=C1)=C(OC)C(O)=O)C is Dimethoxycinnamic acid. Its functional parent is pyruvic acid . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule C1[C@@H]2[NH+]3CC[C@@]42[C@H]5N(C=6C4=CC(=C(C6)O)OC)C(C[C@H]7[C@@H]5[C@@H]1C(=CCO7)C3)=O C1[C@@H]2[NH+]3CC[C@@]42[C@H]5N(C=6C4=CC(=C(C6)O)OC)C(C[C@H]7[C@@H]5[C@@H]1C(=CCO7)C3)=O is major microspecies at pH 7.3. It is also related to or classified as indole alkaloid cation .
The molecule O=C(O)C1(O)C2(OC(CCCC(OC(=O)C)CCCCCCC)(OC1C(=O)O)[C@@H]([C@H]2OC(=O)CC/C=C/C(CCCC3=CC=CC=C3)C)O)C(=O)O O=C(O)C1(O)C2(OC(CCCC(OC(=O)C)CCCCCCC)(OC1C(=O)O)[C@@H]([C@H]2OC(=O)CC/C=C/C(CCCC3=CC=CC=C3)C)O)C(=O)O is Zaragozic acid F. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule COc1cncc2C(C)NC(=O)Cc12 COc1cncc2C(C)NC(=O)Cc12 is A 2,7-naphthyridine derivative that is 1,4-dihydro-2,7-naphthyridin-3(2H)-one which is substituted at positions 1 and 5 by methyl and methoxy groups, respectively. It is also related to or classified as 2,7-naphthyridine derivative .
The molecule C[C@H](CCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of bkas#32. It is also related to or classified as organic molecular entity .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C is teasterone.  It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as phytosteroid , 22-hydroxy steroid , 23-hydroxy steroid , 6-oxo steroid .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C(O)C2)COC(=O)CC(O)=O O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C(O)C2)COC(=O)CC(O)=O is Apigenin 5-(6''-malonylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC1N[C@@H](CC2=C1NC1=C2C=CC=C1)C(=O)N\N=C\C1=CC=C(Cl)C=C1 CC1N[C@@H](CC2=C1NC1=C2C=CC=C1)C(=O)N\N=C\C1=CC=C(Cl)C=C1 is chloroinconazide. It has the role of antiviral agent . It has the role of fungicide . It is also related to or classified as carbohydrazide  . It is also related to or classified as beta-carbolines , monochlorobenzenes .
The molecule OC(=O)C(F)F OC(=O)C(F)F is A monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by fluorines. Its functional parent is acetic acid . It is a conjugate acid of difluoroacetate .  It is also related to or classified as organofluorine compound  . It is also related to or classified as monocarboxylic acid .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C is 3-dehydroteasterone. Its functional parent is teasterone . It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as (22S)-22-hydroxy C28-steroid  . It is also related to or classified as 23-hydroxy steroid , 6-oxo steroid , 22-hydroxy steroid .
The molecule C[C@H](CCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of bkas#30-CoA. It is also related to or classified as organic molecular entity .
The molecule OC(C(OC(=O)/C=C/C1=CC(OC)=C(O)C=C1)C(O)=O)(CC(O)=O)C(O)=O OC(C(OC(=O)/C=C/C1=CC(OC)=C(O)C=C1)C(O)=O)(CC(O)=O)C(O)=O is 2-Feruloylhydroxycitric acid. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [H][C@@]12C[C@@]3([H])C(=CN1CCC1=C2NC2=C1C=CC=C2)[C@H](C)OC=C3C(=O)OC [H][C@@]12C[C@@]3([H])C(=CN1CCC1=C2NC2=C1C=CC=C2)[C@H](C)OC=C3C(=O)OC is A yohimban alkaloid with formula C21H22N2O3, produced by Catharanthus roseus and Rauvolfia serpentina plant species. It has the role of plant metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as yohimban alkaloid , organic heteropentacyclic compound .
The molecule CC1(C)[C@H]2CC[C@H](C2)C1=C CC1(C)[C@H]2CC[C@H](C2)C1=C is A camphene (2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane) that has S configuration at position 1 and R configuration at position 4. It is also related to or classified as camphene  .
The molecule C[C@H](CCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of bkas#30. It is also related to or classified as organic molecular entity .
The molecule C(CCN)CC(C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CS)NC(=O)C(CCC(=O)N)NC(=O)C(CS)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N.C(=O)(C(F)(F)F)O C(CCN)CC(C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CS)NC(=O)C(CCC(=O)N)NC(=O)C(CS)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N.C(=O)(C(F)(F)F)O is gO-203 is a D-amino acid cell-penetrating peptide inhibitor of MUC1-C dimerization and thereby its oncogenic function. (SelleckChem). It is also related to or classified as organic molecular entity .
The molecule O1C(C(O)C(O)C(O)C1OC=2C=C(CCC(=O)C3=C(O)C=CC(O)=C3)C=CC2)C(O)=O O1C(C(O)C(O)C(O)C1OC=2C=C(CCC(=O)C3=C(O)C=CC(O)=C3)C=CC2)C(O)=O is 6-{3-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC1(C)C2CCC(C2)C1=C CC1(C)C2CCC(C2)C1=C is A monoterpene with a bicyclic skeleton that is bicyclo[2.2.1]heptane substituted by geminal methyl groups at position 2 and a methylidene group at position 3. It is a widespread natural product found in many essential oils. It has the role of fragrance . It has the role of plant metabolite . It is also related to or classified as monoterpene  . It is also related to or classified as carbobicyclic compound .
The molecule COC1=CC(=O)N(C)[C@@H](O)[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N COC1=CC(=O)N(C)[C@@H](O)[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N is A member of the class of tetrahydropyridines that is 2,3-dihydroxy-4-methoxy-1-methyl-6-oxo-1,2,3,6-tetrahydropyridine-3-carbonitrile having a beta-D-glucosyl residue attached at position 3 via a glycosidic bond. It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as enol ether  . It is also related to or classified as delta-lactam  . It is also related to or classified as aliphatic nitrile  . It is also related to or classified as tetrahydropyridine .
The molecule C[C@H](CCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of bkas#30. It is also related to or classified as organic molecular entity .
The molecule CC1(C)[C@@H]2CC[C@@H](C2)C1=C CC1(C)[C@@H]2CC[C@@H](C2)C1=C is A camphene (2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane) that has R configuration at position 1 and S configuration at position 4. It is also related to or classified as camphene  .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C is Luteolin rutinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule COC(=O)CCCCC(=O)OC COC(=O)CCCCC(=O)OC is Dimethyl adipate. It is also related to or classified as fatty acid methyl ester  .
The molecule C1=CC=C2C(=C1)[C@]34CC[NH+]5CC6=CCOC([C@]([C@]6(C[C@@]35[H])[H])([C@@]4(N2C(CC([O-])=O)=O)[H])[H])O C1=CC=C2C(=C1)[C@]34CC[NH+]5CC6=CCOC([C@]([C@]6(C[C@@]35[H])[H])([C@@]4(N2C(CC([O-])=O)=O)[H])[H])O is major microspecies at pH 7.3. It is also related to or classified as primary alcohol  . It is also related to or classified as zwitterion  . It is also related to or classified as organic heterohexacyclic compound , indole alkaloid cation .
The molecule C[C@H](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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of bkas#28-CoA. It is also related to or classified as organic molecular entity .
The molecule O=C(NCN)C[C@H](N)CCCN O=C(NCN)C[C@H](N)CCCN is Bellenamine. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H]P(O)(=O)OP([H])([O-])=O [H]P(O)(=O)OP([H])([O-])=O is A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in diphosphoniic acid. It is a conjugate acid of diphosphonate(2-) . It is also related to or classified as phosphorus oxoanion , monovalent inorganic anion .
The molecule O=C1N([C@H](C(=O)O[C@H]([C@@H]([C@H](OC(=O)C)[C@H](C=C([C@H]([C@@H](C=C1)C)OC(=O)C)C)C)C)C)CC2=CC=CC=C2)C O=C1N([C@H](C(=O)O[C@H]([C@@H]([C@H](OC(=O)C)[C@H](C=C([C@H]([C@@H](C=C1)C)OC(=O)C)C)C)C)C)CC2=CC=CC=C2)C is Torrubiellutin B. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule C[C@H](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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of bkas#28. It is also related to or classified as organic molecular entity .
The molecule O=C1N2[C@H](C(=O)N[C@H]1CCCN=C(N)N)CCC2 O=C1N2[C@H](C(=O)N[C@H]1CCCN=C(N)N)CCC2 is CI-4. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@H](CCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of bkas#28. It is also related to or classified as organic molecular entity .
The molecule [O-]C(=O)C(F)F [O-]C(=O)C(F)F is A monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of difluoroacetic acid. Its functional parent is acetate . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organofluorine compound  .
The molecule C(\C=1N=C(NC1)SC)=C/C(=O)[O-] C(\C=1N=C(NC1)SC)=C/C(=O)[O-] is major microspecies at pH 7.3. It is also related to or classified as organic sulfide  . It is also related to or classified as urocanate  .
The molecule O=C1C2=C(O)C=3C(=C(OC)C(C)=CC3)C=C2C(=O)C4=C1C=C(C)C=C4O O=C1C2=C(O)C=3C(=C(OC)C(C)=CC3)C=C2C(=O)C4=C1C=C(C)C=C4O is M-13-1. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule Oc1ccccc1C([O-])=O.C[NH+](C)CCOC(c1ccccc1)c1ccccc1 Oc1ccccc1C([O-])=O.C[NH+](C)CCOC(c1ccccc1)c1ccccc1 is the salicylic acid salt of diphenhydramine. It has the role of sedative . It has the role of H1-receptor antagonist . It has the role of muscarinic antagonist . It has the role of anti-allergic agent . It has the role of antiemetic . It is also related to or classified as salicylates , organoammonium salt .
The molecule CC(\C=C\[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@H](C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\C(O)=O CC(\C=C\[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@H](C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\C(O)=O is dihydrophaseic acid 4-O-beta-D-glucoside. Its functional parent is phaseic acid . It is also related to or classified as beta-D-glucoside  .
The molecule C[C@H](CCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of bkas#26-CoA. It is also related to or classified as organic molecular entity .
The molecule [H][C@]12CC[C@@]3([H])[C@]4([H])CCC5CCCC[C@]5(C)[C@@]4([H])CC[C@]13CN(C)[C@H]2C [H][C@]12CC[C@@]3([H])[C@]4([H])CCC5CCCC[C@]5(C)[C@@]4([H])CC[C@]13CN(C)[C@H]2C is conanine. It is also related to or classified as steroid  . It is also related to or classified as steroid alkaloid fundamental parent .
The molecule O=[N+]([O-])/C(=C(/C=C/C=C/C=C(\[C@@H](O)C(C(=O)NC/C=C/C=C/[C@H](O)[C@@H](C[C@H](OC)[C@@]1(O)[C@]2(N(C)C([C@@H]1C)=O)C(=O)O[C@@H]2C)C)(C)C)/C)\C)/C O=[N+]([O-])/C(=C(/C=C/C=C/C=C(\[C@@H](O)C(C(=O)NC/C=C/C=C/[C@H](O)[C@@H](C[C@H](OC)[C@@]1(O)[C@]2(N(C)C([C@@H]1C)=O)C(=O)O[C@@H]2C)C)(C)C)/C)\C)/C is Lajollamycin D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C=C(C=CC2OC)C=3OC=4C(C(=O)C3)=C(O)C=C(O)C4)CO O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C=C(C=CC2OC)C=3OC=4C(C(=O)C3)=C(O)C=C(O)C4)CO is Diosmetin glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H](CCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of bkas#26. It is also related to or classified as organic molecular entity .
The molecule O=C(O)/C=C/C=C/[C@H]1O[C@@H](C(=C)[C@H]2[C@@H]([C@@H]1O)[C@H]3[C@@H](CC(C)=CC3)C=C2C)[C@@H](CC)C O=C(O)/C=C/C=C/[C@H]1O[C@@H](C(=C)[C@H]2[C@@H]([C@@H]1O)[C@H]3[C@@H](CC(C)=CC3)C=C2C)[C@@H](CC)C is Pyrenulic acid G. It is also related to or classified as medium-chain fatty acid  .
The molecule C1[C@@]2([NH+]3CC[C@@]42[C@]5(N(C=6C4=CC(=CC6)O)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H] C1[C@@]2([NH+]3CC[C@@]42[C@]5(N(C=6C4=CC(=CC6)O)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H] is major microspecies at pH 7.3. It is also related to or classified as indole alkaloid cation .
The molecule C(CCC1CO1)CC1CO1 C(CCC1CO1)CC1CO1 is 1,2:7,8-diepoxyoctane. It has the role of mutagen . It is also related to or classified as epoxide  .
The molecule O=C1C2=C(O)C3=C(OC)C=C(OC)C=C3C=C2O[C@H](C1)C O=C1C2=C(O)C3=C(OC)C=C(OC)C=C3C=C2O[C@H](C1)C is (2S)-5-hydroxy-6,8-dimethoxy-2-methyl-4H-2,3-dihydronaphtho[2,3-b]pyran-4-one. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@H](CCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of bkas#26. It is also related to or classified as organic molecular entity .
The molecule O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(OC)C=C4)COC5OC(C(O)C(O)C5O)C O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(OC)C=C4)COC5OC(C(O)C(O)C5O)C is Diosmetin rutinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [NH3+]CCC([O-])=O [NH3+]CCC([O-])=O is zwitterionic form of beta-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule O=C1C=2OC3C(=O)C(=C(O)C(C3(C(=O)O)CC2C(=O)C=4C1=C(O)C=CC4)OC)C(=O)C O=C1C=2OC3C(=O)C(=C(O)C(C3(C(=O)O)CC2C(=O)C=4C1=C(O)C=CC4)OC)C(=O)C is Mutaxanthene C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@H](CCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of bkas#24-CoA. It is also related to or classified as organic molecular entity .
The molecule C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H](O)C1=O C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H](O)C1=O is A GDP-4-dehydro-L-fucose in which the anomeric centre of the fucose portion has beta-configuration. An intermediate formed during the de novo synthesis of GDP-L-fucose. It has the role of mammalian metabolite . It is also related to or classified as GDP-4-dehydro-L-fucose  .
The molecule O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)NC2)CC=4C5=C(C=CC=C5)NC4 O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)NC2)CC=4C5=C(C=CC=C5)NC4 is Cyclo-(L-Trp-L-Trp). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C([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(OC)=C(O)C=C4)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C O1C([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(OC)=C(O)C=C4)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C is Isorhamnetin rutinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H](CCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of bkas#24. It is also related to or classified as organic molecular entity .
The molecule ONC1=CC=C(C=C1)C(O)=O ONC1=CC=C(C=C1)C(O)=O is A member of the class of benzoic acids that is benzoic acid substituted by a hydroxyamino group at position 4. Its functional parent is 4-aminobenzoic acid . It is a conjugate acid of 4-(hydroxyamino)benzoate . It is also related to or classified as benzoic acids , hydroxylamines , monocarboxylic acid .
The molecule O=C(OC)C1=C(C=C(/C=C/C)N=C1)/C=C(/C(=O)C)\CC(=O)CCCCC O=C(OC)C1=C(C=C(/C=C/C)N=C1)/C=C(/C(=O)C)\CC(=O)CCCCC is Monasnicotinate A. It is also related to or classified as pyridines , aromatic carboxylic acid .