anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O(C=1C(=O)C(C\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C)/C)/C)/C)=C(C(=O)C1)C)C O(C=1C(=O)C(C\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C)/C)/C)/C)=C(C(=O)C1)C)C is an all-trans-polyprenylbenzoquinone that is 6-heptaprenyl-1,4-benzoquinone carrying additional methoxy and methyl substituents at positions 2 and 5 respectively. It is also related to or classified as 2-methoxy-5-methyl-6-all-trans-polyprenylbenzoquinone .
The molecule OC1(O)C23N(CC1)C(=[N+]([O-])C(C3N=C(N2)N)COC(=O)NO)N OC1(O)C23N(CC1)C(=[N+]([O-])C(C3N=C(N2)N)COC(=O)NO)N is N'-Hydroxyneosaxitoxin. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .
The molecule S1CC=2C(=NC(=NC2)C)C1 S1CC=2C(=NC(=NC2)C)C1 is 5,7-Dihydro-2-methylthieno[3,4-d]pyrimidine. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule [O-]C(CNC([C@@H](NC(CCC(C([O-])=O)=O)=O)CS)=O)=O [O-]C(CNC([C@@H](NC(CCC(C([O-])=O)=O)=O)CS)=O)=O is A peptide anion obtained by deprotonation of the carboxy groups of N-(4-oxoglutaryl)-L-cysteinylglycine; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as peptide anion .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(OC)=C(O)C(OC)=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(OC)=C(O)C(OC)=C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C is Tricin 7-rutinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C(CC=1C=C(C=CC1)OS([O-])(=O)=O)C([O-])=O C(CC=1C=C(C=CC1)OS([O-])(=O)=O)C([O-])=O is A 3-(3-sulfooxyphenyl)propanoic acid anion obtained by deprotonation of the carboxy and sulfo groups of 3-(3-sulfooxyphenyl)propanoic acid.  It is also related to or classified as phenyl sulfate oxoanion  . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as 3-(3-sulfooxyphenyl)propanoic acid anion .
The molecule O1C(C(O)C(O)C(O)C1CO)C2=C(OC3OC(C(O)C(O)C3O)CO)C=C4OC(=CC(=O)C4=C2O)C5=CC(O)=C(O)C=C5 O1C(C(O)C(O)C(O)C1CO)C2=C(OC3OC(C(O)C(O)C3O)CO)C=C4OC(=CC(=O)C4=C2O)C5=CC(O)=C(O)C=C5 is Isoorientin 7-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC(CC(C(C)=O)O)=O CC(CC(C(C)=O)O)=O is A diketone that is hexane-2,5-dione in which a hydrogen at position 3 has been replaced by a hydroxy group. 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 diketone  . It is also related to or classified as beta-hydroxy ketone .
The molecule O([C@@H]1[C@H](O)[C@@H](O)[C@@H](OC1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)COC(=O)/C=C/C6=CC=C(O)C=C6 O([C@@H]1[C@H](O)[C@@H](O)[C@@H](OC1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)COC(=O)/C=C/C6=CC=C(O)C=C6 is Kaempferol 3-[2''-(p-coumaroylglucosyl)rhamnoside]. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CCCCCC(O)CCCCCCO CCCCCC(O)CCCCCCO is A medium-chain primary fatty alcohol that is dodecane carrying hydroxy groups at positions 1 and 7. It is also related to or classified as medium-chain primary fatty alcohol  . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as dodecanediol  .
The molecule C(CC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@H](C/C=C\C/C=C\CC)O)(O)=O C(CC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@H](C/C=C\C/C=C\CC)O)(O)=O is A dihydroxydocosahexaenoic acid that is (4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7R- and 14S-positions. It has the role of specialised pro-resolving mediator . It has the role of hepatoprotective agent . It has the role of anti-inflammatory agent . It has the role of human xenobiotic metabolite . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as dihydroxydocosahexaenoic acid .
The molecule [H][C@]12CC[C@H](O)C=C1CC[C@]1([H])[C@]2([H])CC[C@@]2(C)[C@@]1([H])CC[C@@]2(O)C#C [H][C@]12CC[C@H](O)C=C1CC[C@]1([H])[C@]2([H])CC[C@@]2(C)[C@@]1([H])CC[C@@]2(O)C#C is ethynodiol. It has the role of progestin . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as terminal acetylenic compound  .
The molecule [C@@]12(C[C@]3([C@](C(CCC1=C(CC2)C(C)C)=C)(CC[C@H]3C)[H])[H])C [C@@]12(C[C@]3([C@](C(CCC1=C(CC2)C(C)C)=C)(CC[C@H]3C)[H])[H])C is A diterpene that has a dicyclopenta[a,d]cyclooctane skeleton containing a double bond at the 6a-7 position and which is substituted by methyl groups at positions 1 and 9a, a methylene group at position 4 and an isopropyl group at position 7 (the 1R,3aR,9aS,10aR  isomer). A precursor for sordaricin, the aglycone of sodarin found in Sordaria araneosa. It has the role of fungal metabolite . It is also related to or classified as diterpene  . It is also related to or classified as organic tricyclic compound , olefinic compound .
The molecule O1[C@@H](OC2=C(O)C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C2O)C(O)[C@@H](O)[C@H](O)C1 O1[C@@H](OC2=C(O)C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C2O)C(O)[C@@H](O)[C@H](O)C1 is Scutellarein 6-xyloside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule N1=C(N(C(N1C2=C(F)C=C(Cl)C(=C2)C[C@@H](C(OCC)=O)Cl)=O)C(F)F)C N1=C(N(C(N1C2=C(F)C=C(Cl)C(=C2)C[C@@H](C(OCC)=O)Cl)=O)C(F)F)C is an ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate that has S configuration. Its functional parent is (S)-carfentrazone . It is also related to or classified as ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate  .
The molecule N1=C(N(C(N1C2=C(F)C=C(Cl)C(=C2)C[C@H](C(OCC)=O)Cl)=O)C(F)F)C N1=C(N(C(N1C2=C(F)C=C(Cl)C(=C2)C[C@H](C(OCC)=O)Cl)=O)C(F)F)C is an ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate that has R configuration. Its functional parent is (R)-carfentrazone . It is also related to or classified as ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate  .
The molecule O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2O)C4=CC(OC)=C(O)C=C4)CO O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2O)C4=CC(OC)=C(O)C=C4)CO is Quercetagetin 3'-methylether 7-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O1C(C2C(C(OC2)C3=CC=4OCOC4C=C3)C1)C=5C(OC6OC(C(O)C(O)C6O)CO)=CC=7OCOC7C5 O1C(C2C(C(OC2)C3=CC=4OCOC4C=C3)C1)C=5C(OC6OC(C(O)C(O)C6O)CO)=CC=7OCOC7C5 is Sesaminol glucoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule N1=C(N(C(N1C2=C(F)C=C(Cl)C(=C2)CC(C(OCC)=O)Cl)=O)C(F)F)C N1=C(N(C(N1C2=C(F)C=C(Cl)C(=C2)CC(C(OCC)=O)Cl)=O)C(F)F)C is an ethyl ester resulting from the formal condensation of the carboxy group of 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid with ethanol. It has the role of proherbicide . It is also related to or classified as ethyl ester  .
The molecule [O-]P([O-])(=O)O[C@@H]1[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])(=O)OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O [O-]P([O-])(=O)O[C@@H]1[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])(=O)OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O is fully deprotonated form of 5-diphospho-1D-myo-inositol pentakisphosphate. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as inositol phosphate oxoanion .
The molecule C1CCC([C@]2([C@@]13[C@@]4([C@@]([C@@H](C2)O)(C=C(CC4)C(C)C)OC3=O)[H])[H])(C)C C1CCC([C@]2([C@@]13[C@@]4([C@@]([C@@H](C2)O)(C=C(CC4)C(C)C)OC3=O)[H])[H])(C)C is an abietane diterpenoid found in the medicinal plant Isodon rubescens that is 7alpha,8beta-dihydroxyabiet-13-ene in which the 20-methyl group has undergone formal oxidation to the corresponding carboxy group and condensed with the 8-hydroxy group to give the corresponding gamma-lactone. It has shown inhibitory activity against biofilm formation of the dental bacterium Streptococcus mutans. It has the role of antibacterial agent . It has the role of plant metabolite . It is also related to or classified as secondary alcohol  .  It is also related to or classified as gamma-lactone  . It is also related to or classified as abietane diterpenoid , tetracyclic diterpenoid , olefinic compound .
The molecule O1C(C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO O1C(C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO is Kaempferol 3-alpha-L-arabinofuranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1[C@@]2([NH+]3CC[C@@]42[C@]5(N(C=6C4=CC=C(C6)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=C(C6)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 N1=C(N(C(N1C2=C(F)C=C(Cl)C(=C2)C[C@@H](C(O)=O)Cl)=O)C(F)F)C N1=C(N(C(N1C2=C(F)C=C(Cl)C(=C2)C[C@@H](C(O)=O)Cl)=O)C(F)F)C is A 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid that has S configuration. It is also related to or classified as 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid  .
The molecule CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C is the (S)-(-)-enantiomer of bupivacaine. It has the role of local anaesthetic . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of adrenergic antagonist . It has the role of amphiphile . It has the role of EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor . It is also related to or classified as 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide  .
The molecule [Li+] [Li+] is lithium(1+). It is also related to or classified as monoatomic monocation  . It is also related to or classified as alkali metal cation , monovalent inorganic cation .
The molecule N1=C(N(C(N1C2=C(F)C=C(Cl)C(=C2)C[C@H](C(O)=O)Cl)=O)C(F)F)C N1=C(N(C(N1C2=C(F)C=C(Cl)C(=C2)C[C@H](C(O)=O)Cl)=O)C(F)F)C is A 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid that has R configuration. It is also related to or classified as 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid  .
The molecule [Na+].[Na+].O[B-]1(O)OO[B-](O)(O)OO1 [Na+].[Na+].O[B-]1(O)OO[B-](O)(O)OO1 is sodium perborate. It has the role of bleaching agent . It is also related to or classified as inorganic sodium salt .
The molecule [H][C@@]12C[C@@H](O)[C@]([H])([C@H](C)CCC([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C [H][C@@]12C[C@@H](O)[C@]([H])([C@H](C)CCC([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C is A bile acid anion that is the conjugate base of avicholic acid obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as bile acid anion .
The molecule COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC([O-])=O COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC([O-])=O is A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid. It is also related to or classified as monocarboxylic acid anion  .
The molecule N1=C(N(C(N1C2=C(F)C=C(Cl)C(=C2)CC(C(O)=O)Cl)=O)C(F)F)C N1=C(N(C(N1C2=C(F)C=C(Cl)C(=C2)CC(C(O)=O)Cl)=O)C(F)F)C is A member of the class of triazoles that is 2,4-dihydro-3H-1,2,4-triazol-3-one which is substituted at positions 2, 4, and 5 by 5-(2-carboxy-2-chloroethyl)-4-chloro-2-fluorophenyl, difluoromethyl, and methyl groups, respectively.    It is also related to or classified as monofluorobenzenes  . It is also related to or classified as monocarboxylic acid , triazoles , monochlorobenzenes .
The molecule CCCCCCC/C=C/C(=O)OCC is a fatty acid ethyl ester obtained by the formal condensation of trans-2-decenoic acid with ethanol. It has a role as a metabolite. It derives from a trans-2-decenoic acid.
The molecule C[C@@](CO)(OP([O-])([O-])=O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O C[C@@](CO)(OP([O-])([O-])=O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O is tetraanion of 4-CDP-2-C-methyl-D-erythritol 2-phosphate arising from deprotonation of phosphate and diphosphate groups; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule [NH3+][C@@H](CCSCC[C@H]([NH3+])C([O-])=O)C([O-])=O [NH3+][C@@H](CCSCC[C@H]([NH3+])C([O-])=O)C([O-])=O is an L-alpha-amino acid zwitterion that is the dizwitterionic form of L-homolanthionine obtained by migration of protons from both carboxy groups to the amino groups; major species at pH 7.3. Its functional parent is L-homocysteine zwitterion . It is also related to or classified as L-alpha-amino acid zwitterion  .
The molecule C12=C(NCC(=N1)CNC3=CC=C(C(O)=O)C(=C3)O)N=C(N)NC2=O C12=C(NCC(=N1)CNC3=CC=C(C(O)=O)C(=C3)O)N=C(N)NC2=O is A member of the class of pteroic acids that is 7,8-dihydropteroic acid carrying a phenolic hydroxy substituent at the position ortho to the carboxylic acid function. It has the role of bacterial xenobiotic metabolite . Its functional parent is 7,8-dihydropteroic acid . It is also related to or classified as monohydroxybenzoic acid , pteroic acids .
The molecule O1C(C(O)C(O)C(O)C1OC2=C(OC)C=C(C=C2)C=3OC=4C(C(=O)C3)=C(O)C(OC)=C(O)C4OC)COC(=O)CC(O)(COC=O)C O1C(C(O)C(O)C(O)C1OC2=C(OC)C=C(C=C2)C=3OC=4C(C(=O)C3)=C(O)C(OC)=C(O)C4OC)COC(=O)CC(O)(COC=O)C is Sudachiin B. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule COC(=O)[C@H](C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C COC(=O)[C@H](C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C is A methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate that is the less active S-enantiomer of benalaxyl. It is also related to or classified as methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate  . It is also related to or classified as L-alanine derivative .
The molecule [C@H]1(C(N(C1)[C@H](C=2C=CC(=CC2)O)C(=O)[O-])=O)NC([C@@H](C3=CC=C(C=C3)OCC[C@H](C([O-])=O)[NH3+])[NH3+])=O [C@H]1(C(N(C1)[C@H](C=2C=CC(=CC2)O)C(=O)[O-])=O)NC([C@@H](C3=CC=C(C=C3)OCC[C@H](C([O-])=O)[NH3+])[NH3+])=O is an alpha-amino acid zwitterion resulting from a transfer of two protons from the carboxy groups to the amino groups of nocardicin C; major species at pH 7.3. It is also related to or classified as alpha-amino-acid zwitterion  .
The molecule [C@@H]1(CCC([C@@]2([C@]13[C@H]4[C@@]5([C@@]([C@H]2O)(OC3)O)[C@@H]([C@@](CC4)(C(C5=O)=C)[H])O)[H])(C)C)O [C@@H]1(CCC([C@@]2([C@]13[C@H]4[C@@]5([C@@]([C@H]2O)(OC3)O)[C@@H]([C@@](CC4)(C(C5=O)=C)[H])O)[H])(C)C)O is an organic heteropentacyclic compound and ent-kaurane diterpenoid with formula C20H28O6 isolated from the leaves of the medicinal herb Rabdosia rubescens. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of anti-asthmatic agent . It has the role of apoptosis inducer . It has the role of plant metabolite . It is also related to or classified as secondary alcohol  .   It is also related to or classified as enone  . It is also related to or classified as ent-kaurane diterpenoid , organic heteropentacyclic compound , cyclic hemiketal .
The molecule CCCCCCOc1ccccc1C(N)=O CCCCCCOc1ccccc1C(N)=O is an benzamide that is salicylamide in which the phenolic hydroxy group has been converted into the corresponding hexyl ether. It has been used as a topical antifungal agent. It has the role of antifungal agent . Its functional parent is salicylamide . It is also related to or classified as benzamides , aromatic ether .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=3CC[C@H](OC3C=C(OC)C2)C4=CC=C(OC)C=C4)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=3CC[C@H](OC3C=C(OC)C2)C4=CC=C(OC)C=C4)CO is Dichotosin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC1(CCC[C@@]2(C)[C@@]1([H])CC[C@]3(O[C@@](CC[C@@]23[H])(C)C=C)C)C CC1(CCC[C@@]2(C)[C@@]1([H])CC[C@]3(O[C@@](CC[C@@]23[H])(C)C=C)C)C is A tricyclic labdane diterpenoid that is an intermediate in the biosynthesis of forskolin by Coleus forskohlii. It has the role of plant metabolite . It is also related to or classified as organic heterotricyclic compound , labdane diterpenoid , cyclic ether , tricyclic diterpenoid .
The molecule C[C@H]1\C=C\C=C(C)/C(=O)NC2=CC(=O)c3c(cc(C)c(O)c3C(=O)\C(C)=C\[C@H](CO)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O)C2=O C[C@H]1\C=C\C=C(C)/C(=O)NC2=CC(=O)c3c(cc(C)c(O)c3C(=O)\C(C)=C\[C@H](CO)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O)C2=O is Protorifamycin I. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CCC([C@]2([C@]1([C@@]3([C@@H](CC2)C)O[C@@](CC3)(C)C=C)C)[H])(C)C C1CCC([C@]2([C@]1([C@@]3([C@@H](CC2)C)O[C@@](CC3)(C)C=C)C)[H])(C)C is A tricyclic diterpenoid that is an intermediate in the biosynthesis of marrubiin by the medicinal plant Marrubium vulgare. It has the role of plant metabolite . It is also related to or classified as labdane diterpenoid , oxaspiro compound , tricyclic diterpenoid .
The molecule [H]C(=O)C1=CN(CC2=CC=C(Cl)C=C2)C2=CC=CC=C12 [H]C(=O)C1=CN(CC2=CC=C(Cl)C=C2)C2=CC=CC=C12 is A member of the class of indoles that is 1H-indole substituted by 4-chlorobenzyl and formyl groups at positions 1 and 3, respectively. It is an anti-cancer agent that is active against lung cancer cells with K-Ras mutations. It has the role of antineoplastic agent . It has the role of apoptosis inducer .  It is also related to or classified as arenecarbaldehyde  . It is also related to or classified as indoles , monochlorobenzenes .
The molecule [C@@]12([C@](C(C3=C(C=4C(=CC=CC4C(=C3C1)C)O)O)=O)(C(C(C(N)=O)=C([C@H]2N)O)=O)O)[H] [C@@]12([C@](C(C3=C(C=4C(=CC=CC4C(=C3C1)C)O)O)=O)(C(C(C(N)=O)=C([C@H]2N)O)=O)O)[H] is A member of the class of tetracyclines that is anhydrotetracycline in which the two methyl groups attached to the nitrogen have both been replaced by hydrogen. It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as tetracyclines .
The molecule O.[Na+].C1C[C@]2(C(=CC[C@]3([C@]4([C@](CC[C@]23[H])(C(CC4)=O)C)[H])[H])C[C@H]1OS([O-])(=O)=O)C.O O.[Na+].C1C[C@]2(C(=CC[C@]3([C@]4([C@](CC[C@]23[H])(C(CC4)=O)C)[H])[H])C[C@H]1OS([O-])(=O)=O)C.O is prasterone sodium sulfate. Its functional parent is dehydroepiandrosterone . It is also related to or classified as steroid sulfate .
The molecule [C@@]1(CC/C(/C)=C/COP(OP(=O)([O-])[O-])(=O)[O-])([C@@H](CC[C@@]2([C@]1(C)CCCC2(C)C)[H])C)O [C@@]1(CC/C(/C)=C/COP(OP(=O)([O-])[O-])(=O)[O-])([C@@H](CC[C@@]2([C@]1(C)CCCC2(C)C)[H])C)O is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of peregrinol diphosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule [NH3+][C@@H](CSC[C@H]([NH3+])C([O-])=O)C([O-])=O [NH3+][C@@H](CSC[C@H]([NH3+])C([O-])=O)C([O-])=O is an L-alpha-amino acid zwitterion that is the dizwitterionic form of L-lanthionine obtained by migration of protons from both carboxy groups to the amino groups; major species at pH 7.3. Its functional parent is L-cysteine zwitterion . It is also related to or classified as L-alpha-amino acid zwitterion  .
The molecule [NH4+].N#C[S-] [NH4+].N#C[S-] is (15N)Ammonium (15N)thiocyanate. Its functional parent is ammonium thiocyanate . It is also related to or classified as (15)N-modified compound .
The molecule C(/C(=C/CC/C(/C)=C/CC/C(=C/CC/C(=C/CC/C(=C/CCC(C=C)=C)/C)/C)/C)/C)CC=C(C)C C(/C(=C/CC/C(/C)=C/CC/C(=C/CC/C(=C/CC/C(=C/CCC(C=C)=C)/C)/C)/C)/C)CC=C(C)C is an acyclic sesquarterpene that is 3-methylideneoctacosa-1,6,10,14,18,22,26-heptaene carrying six methyl substituents at positions 7, 11, 15, 19, 23 and 27 (the all-E geoisomer). It has the role of bacterial metabolite . Its functional parent is trans-beta-farnesene . It is also related to or classified as polyene , sesquarterpene .
The molecule [NH4+].[S-]C#N [NH4+].[S-]C#N is the organic ammonium salt of thiocyanic acid. It is also related to or classified as organic ammonium salt .
The molecule CC(=CCC/C(/C)=C/CC/C(=C/CC/C(=C/CC/C(=C/CCC(C=C)=C)/C)/C)/C)C CC(=CCC/C(/C)=C/CC/C(=C/CC/C(=C/CC/C(=C/CCC(C=C)=C)/C)/C)/C)C is an acyclic triterpene that is 3-methylidenetetracosa-1,6,10,14,18,22-hexaene carrying five methyl substituents at positions 7, 11, 15, 19 and 23 (the all-E geoisomer). It has the role of bacterial metabolite . Its functional parent is trans-beta-farnesene . It is also related to or classified as triterpene  . It is also related to or classified as polyene .
The molecule CC(C)C1=NC=CC(C)=C1N1C(=O)N=C(N2CCN(C[C@@H]2C)C(=O)C=C)C2=C1N=C(C(F)=C2)C1=C(F)C=CC=C1O CC(C)C1=NC=CC(C)=C1N1C(=O)N=C(N2CCN(C[C@@H]2C)C(=O)C=C)C2=C1N=C(C(F)=C2)C1=C(F)C=CC=C1O is A pyridopyrimidine that is pyrido[2,3-d]pyrimidin-2(1H)-one substituted by 4-methyl-2-(propan-2-yl)pyridin-3-yl, (2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl, fluoro and 2-fluoro-6-hydroxyphenyl groups at positions 1, 4, 6 and 7, respectively. It is approved for the treatment of patients with non-small cell lung cancer having KRAS(G12C) mutations. It has the role of antineoplastic agent . It is also related to or classified as tertiary carboxamide  .   It is also related to or classified as phenols  . It is also related to or classified as pyridopyrimidine  .   It is also related to or classified as monofluorobenzenes  . It is also related to or classified as acrylamides , methylpyridines , N-acylpiperazine , tertiary amino compound .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CCC(C=C)=C)/C)/C)/C)C CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CCC(C=C)=C)/C)/C)/C)C is A sesterterpene that is beta-farnesene in which one of the terminal methyl hydrogens has been replaced by a geranyl group. It has the role of bacterial metabolite . Its functional parent is trans-beta-farnesene . It is also related to or classified as sesterterpene  . It is also related to or classified as polyene .
The molecule CC1(CCC[C@]2(C)[C@]1([H])CC[C@@]3(O[C@@](CC[C@@]23[H])(C)C=C)C)C CC1(CCC[C@]2(C)[C@]1([H])CC[C@@]3(O[C@@](CC[C@@]23[H])(C)C=C)C)C is A tricyclic diterpenoid that is isolated from plants and fungi and exhibits anti-bacterial protperties. It has the role of antibacterial agent . It has the role of plant metabolite . It has the role of fungal metabolite . It is also related to or classified as organic heterotricyclic compound , labdane diterpenoid , cyclic ether , tricyclic diterpenoid .
The molecule [C@@]12([C@](C(C3=C(C=4C(=CC=CC4C(=C3C1)C)O)O)=O)(C(C(C(N)=O)=C([C@H]2[NH3+])[O-])=O)O)[H] [C@@]12([C@](C(C3=C(C=4C(=CC=CC4C(=C3C1)C)O)O)=O)(C(C(C(N)=O)=C([C@H]2[NH3+])[O-])=O)O)[H] is A zwtterion obtained by transfer of a proton from the 2-hydroxy to the primary amino group of 4-amino-4-de(dimethylamino)anhydrotetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as zwitterion  .