anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H]1C[C@H](N)[C@@H](O)[C@H](O1)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O C[C@@H]1C[C@H](N)[C@@H](O)[C@H](O1)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O is A dTDP-sugar having 3-amino-3,4,6-trideoxy-alpha-D-glucose as the sugar component. It is a conjugate acid of dTDP-3-azaniumyl-3,4,6-trideoxy-alpha-D-glucose(1-) . It is also related to or classified as dTDP-3-amino-3,4,6-trideoxy-D-glucose  .
The molecule CC(=CCC/C(=C/CC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)/C)C is a trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7 and 4', a geranyl group at position 3' and a prenyl group at position 6. Isolated from Schizolaena hystrix, it exhibits cytotoxicity against ovarian cancer cell line. It has a role as a metabolite and an antineoplastic agent. It is a trihydroxyflavanone and a member of 4'-hydroxyflavanones.
The molecule CCCCCCCC/C=C\\CCCCCCCCOCC(C[N+](C)(C)CCNC(=O)C(CCCNCCCN)NCCCN)OCCCCCCCC/C=C\\CCCCCCCC.C(=O)(C(F)(F)F)[O-] is a quaternary ammonium salt in which the quaternary nitrogen is substituted by a 2,3-dioleyloxypropyl group, a [2-(sperminecarboxamido)ethyl group, and two methyl groups, and in which the positive charged is balanced by a trifluoroacetate anion. It is a quaternary ammonium salt and a substituted spermine. It contains a trifluoroacetate.
The molecule CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3O)OC)C(=O)C=C(C)C)C)C=O)O is a member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 8, methyl groups at positions 1 and 6, a 3-methylbut-2-enoyl group at position 7, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense, it exhibits antimalarial and cytotoxic activities. It has a role as an antimalarial, an antineoplastic agent and a Chaetomium metabolite. It is an aldehyde, an aromatic ether, a member of depsidones, an enone, an organic heterotricyclic compound, a polyphenol and an aromatic ketone.
The molecule C12=C(C=CC(=C1OC)[O-])C(C=C(O2)C=3C=CC=CC3)=O C12=C(C=CC(=C1OC)[O-])C(C=C(O2)C=3C=CC=CC3)=O is major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule O1C(CC(=O)C=2C1=CC(OC)=C(C2OC)C)C3=CC=CC=C3 O1C(CC(=O)C=2C1=CC(OC)=C(C2OC)C)C3=CC=CC=C3 is 5,7-Dimethoxy-6-methylflavanone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@@H]3CC[C@H]([C@H](O3)CN(C1=O)C)OC)C C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@@H]3CC[C@H]([C@H](O3)CN(C1=O)C)OC)C is LSM-39402. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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-])O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5[C@H](C[C@H]7[C@@]6(CCC(=O)C7)C)O)C is a steroidal acyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of 7beta-hydroxy-3-oxochol-24-oyl-CoA; major species at pH 7.3. It is a 3-oxo bile acid CoA thioester(4-) and a steroidal acyl-CoA(4-). It is an enantiomer of a 3-oxochenodeoxycholoyl-CoA(4-).
The molecule C1CCN2CC[C@H]3C(=C[C@@](CC/C=C\\C1)([C@H]4[C@]3(C2)C[C@H]/5N4CCCC/C=C5)O)C6=NC=CC7=C6NC8=C7C=CC=C8O is an alkaloid that is manzamine A with a hydroxy substituent at position 8. Isolated from Pachypellina and Acanthostrongylophora, it exhibits inhibitory activity against Glycogen Synthase Kinase-3 (EC 2.7.11.26). It has a role as a metabolite, an anti-HSV-2 agent and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is a member of beta-carbolines, an alkaloid and a member of isoquinolines. It derives from a manzamine A.
The molecule CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2 is a member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity. It has a role as a leukotriene antagonist and an anti-asthmatic drug. It is a member of tetrazoles, a member of acetophenones, a member of phenols and an aromatic ether.
The molecule C(CP(=O)(O)O)N is a phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 2-aminoethyl group. It has a role as a metabolite, a human metabolite and a mouse metabolite. It is a member of phosphonic acids and a primary amino compound. It derives from a phosphonic acid. It is a tautomer of a (2-aminoethyl)phosphonic acid zwitterion.
The molecule C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O)O)O is a steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3,22-dioxochol-4-en-24-oic acid. It is a conjugate acid of a 3,22-dioxochol-4-en-24-oyl-CoA(4-).
The molecule OC=1C2=CC(=CC1)[C@@]3(C(=O)N[C@](C(N[C@H](C=4C=C(C=C(C42)O)O)C(O)=O)=O)([H])[C@@](O[C@H]5[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O5)([H])C=6C=C(Cl)C(=CC6)OC7=CC8=CC(=C7O)OC9=CC=C(C=C9Cl)C[C@]%10(NC(C(C%11=CC=C(O)C(OC%12=CC(O)=CC([C@@](NC%10=O)([H])C(=O)N[C@@]8([H])C(O)N3)=C%12)=C%11)N%13N=NC(CN%14C(=O)C(SCCCC)=C(SCCCC)C%14=O)=C%13)=O)[H])[H] OC=1C2=CC(=CC1)[C@@]3(C(=O)N[C@](C(N[C@H](C=4C=C(C=C(C42)O)O)C(O)=O)=O)([H])[C@@](O[C@H]5[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O5)([H])C=6C=C(Cl)C(=CC6)OC7=CC8=CC(=C7O)OC9=CC=C(C=C9Cl)C[C@]%10(NC(C(C%11=CC=C(O)C(OC%12=CC(O)=CC([C@@](NC%10=O)([H])C(=O)N[C@@]8([H])C(O)N3)=C%12)=C%11)N%13N=NC(CN%14C(=O)C(SCCCC)=C(SCCCC)C%14=O)=C%13)=O)[H])[H] is (1R,2R,19R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-[4-[[3,4-bis(butylsulfanyl)-2,5-dioxopyrrol-1-yl]methyl]triazol-1-yl]-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid. It has the role of anticoronaviral agent . It is also related to or classified as oligopeptide  .
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)CC4CC4 C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)CC4CC4 is N-[(4S,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC1=CC=C(C=C1)CC(C(=O)C2=C(C=C(C=C2)OC)OC)O is a member of the class of dihydrochalcones that is the 2'-O-methyl derivative of odoratol. It has a role as a plant metabolite. It is a member of dihydrochalcones, a dimethoxybenzene, a secondary alcohol and a secondary alpha-hydroxy ketone. It derives from an odoratol.
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)NC(=O)C)O[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)O)O)O)O)O is an amino trisaccharide that is 2-acetamido-2-deoxy-beta-D-glucopyranose in which the hydroxy groups at positions 3 and 6 have each been glycosylated by an alpha-L-fucopyranosyl group. It is an amino trisaccharide and a member of acetamides. It derives from an alpha-L-Fucp-(1->3)-beta-D-GlcpNAc.
The molecule C[C@H]1[C@H]([C@H]([C@@H](C(O1)O)O)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)O)O)NC(=O)C)O is an aminotrisaccharide consisting of beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose and L-furopyranose residues joined in sequence by (1->4) and (1->3) glycosidic bonds. It is an amino trisaccharide and a member of acetamides. It derives from a N-acetyllactosamine.
The molecule C([C@@H]([NH3+])COCCNC(C)=O)(=O)[O-] C([C@@H]([NH3+])COCCNC(C)=O)(=O)[O-] is major microspecies at pH 7.3. It is also related to or classified as zwitterion  . It is also related to or classified as L-serine derivative .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=C(C=C3)F C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=C(C=C3)F is N-[(4S,7R,8S)-5-[(4-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1OC2=C3C(C(=O)OC4=C3C1=C(O)C=5C4=C(OC6O[C@@H]([C@H](O)[C@@]([C@H]6O)(O)C)C)C=CC5)=C(C)C=C2 O=C1OC2=C3C(C(=O)OC4=C3C1=C(O)C=5C4=C(OC6O[C@@H]([C@H](O)[C@@]([C@H]6O)(O)C)C)C=CC5)=C(C)C=C2 is Elsamicin B. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@@H](CO2)C)C(=O)CC3=CN=CC=C3)C)OC)C CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@@H](CO2)C)C(=O)CC3=CN=CC=C3)C)OC)C is N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCC(=O)OCC(COC1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCC is a glycosylglycerol derivative that is 1,2-ditetradecanoylglycerol in which the hydroxy hydrogen at position 3 has been replaced by a 6-sulfoquinovopyranosyl residue. It has a role as a mouse metabolite and a rat metabolite. It derives from a tetradecanoic acid and a 6-sulfo-D-quinovose.
The molecule [C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-] is fully deprotonated form of 5-diphospho-1D-myo-inositol pentakisphosphate. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a 5-diphospho-1D-myo-inositol pentakisphosphate.
The molecule CC1=C(C(=C(C=C1O)OC)O)C/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C is a polyprenylhydroquinone in which the polyprenyl substituent is hexaprenyl at C-3; methoxy and methyl groups are also present at C-5 and C-2 respectively. It is a 2-methoxy-3-methyl-6-all-trans-polyprenylhydroquinone, a polyprenylhydroquinone and a member of hydroquinones.
The molecule [H][C@]12[C@H](CC(O)=O)[C@@](C)(CCC(O)=O)\C(N1[Co+])=C(C)\C1=N\C(=C/C3=N/C(=C(C)\C4=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(O)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(O)=O)C(C)(C)[C@@H]1CCC(O)=O [H][C@]12[C@H](CC(O)=O)[C@@](C)(CCC(O)=O)\C(N1[Co+])=C(C)\C1=N\C(=C/C3=N/C(=C(C)\C4=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(O)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(O)=O)C(C)(C)[C@@H]1CCC(O)=O is cob(II)yrinic acid a,c diamide. It is a conjugate acid of cob(II)yrinic acid a,c diamide(4-) . It is also related to or classified as cobyrinic acid a,c diamide .
The molecule CN1Cc2c(CC(=O)c3cc4OCOc4cc3CC1O)ccc1OCOc21 CN1Cc2c(CC(=O)c3cc4OCOc4cc3CC1O)ccc1OCOc21 is A dibenzazecine alkaloid that is protopine bearing a hydroxy substituent at the 6-position. Its functional parent is protopine .   It is also related to or classified as hemiaminal  . It is also related to or classified as dibenzazecine alkaloid , tertiary amino compound .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C is N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1[C@@H](OC2=C(OC)C(O)=C3C(OC=C(C3=O)C4=CC=C(OC)C=C4)=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O O1[C@@H](OC2=C(OC)C(O)=C3C(OC=C(C3=O)C4=CC=C(OC)C=C4)=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O is Irisolidone 7-O-glucuronide. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule CC(O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1 CC(O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1 is 6-lactoyl-5,6,7,8-tetrahydropterin. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as secondary alpha-hydroxy ketone  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as tetrahydropterin .
The molecule C[C@@H]1C[C@H](N)[C@@H](O)C(O1)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O C[C@@H]1C[C@H](N)[C@@H](O)C(O1)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O is A dTDP-sugar having 3-amino-3,4,6-trideoxy-D-glucose as the sugar component. Its functional parent is dTDP-D-glucose . It is also related to or classified as dTDP-sugar  .
The molecule C/C(=C\\CC/C(=C/C(=O)O)/C)/CC/C=C(\\C)/CC/C=C(\\C)/CO is a diterpenoid obtained by hydroxylation of one of the terminal methyl groups of (2E,6E,10E)-geranylgeranic acid. It is a diterpenoid, an alpha,beta-unsaturated monocarboxylic acid, a methyl-branched fatty acid, a trienoic fatty acid and a hydroxy polyunsaturated fatty acid. It derives from a (2E,6E,10E)-geranylgeranic acid. It is a conjugate acid of a (2E,6E,10E,14E)-omega-hydroxygeranylgeranate.
The molecule C1=CC(=C(C=C1C(=O)O)C(=O)O)C2=C3C=C(C(=O)C=C3OC4=C2C=C(C(=C4)O)CCC(=O)O)CCC(=O)O is a 2',7'-bis-(2-carboxyethyl)carboxyfluorescein compound having a carboxy substituent in the 5-position. It has a role as a fluorochrome. It derives from a fluorescein.
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)OP(=O)(O)O)N=C(N)N)O)N=C(N)N is a derivative of streptidine having a phosphate group at the 6-position. It derives from a streptidine. It is a tautomer of a streptidine 6-phosphate zwitterion.
The molecule C[C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](O1)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O C[C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](O1)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O is A nucleotide-sugar oxoanion that is the conjugate base of dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucose, arising from deprotonation of the diphosphate group and protonation of the amino group. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C[C@@H]1CC(=O)[C@@H](O)[C@H](O1)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O C[C@@H]1CC(=O)[C@@H](O)[C@H](O1)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O is A dTDP-sugar having 3-dehydro-4,6-dideoxy-alpha-D-glucose as the sugar component. It is a conjugate acid of dTDP-3-dehydro-4,6-dideoxy-alpha-D-glucose(2-) . It is also related to or classified as dTDP-sugar  . It is also related to or classified as secondary alpha-hydroxy ketone  .
The molecule CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O is a substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group. It has a role as a bronchodilator agent, a beta-adrenergic agonist and a sympathomimetic agent. It is a member of ethanolamines, a primary arylamine, a secondary amino compound, an amino alcohol, a substituted aniline and a dichlorobenzene. It is a conjugate base of a clenbuterol(1+).
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\\CCCCCCCC is a phosphatidylcholine 42:1 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (15Z)-tetracosenoyl respectively. It derives from an octadecanoic acid and a (15Z)-tetracosenoic acid.
The molecule CCC[N+](CC)(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.[Br-] is a carboxylic ester having diphenylacetic acid as the carboxylic acid component and a 2-(trialkylammonium)ethanol as the alcohol component. It is a quaternary ammonium salt and a carboxylic ester. It contains a penotonium cation.
The molecule CCCCC/C=C\\C[C@H](C(/C=C/C(C/C=C\\CCCC(=O)[O-])O)O)O is conjugate base of (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid arising from deprotonation of the carboxylic acid function. It has a role as a human metabolite. It is a conjugate base of a (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid.
The molecule CC(CCC(=O)O)C1CCC2C1([C@H](CC3C2[C@@H](C[C@H]4C3(CC[C@H](C4)O)C)O)O)C is a sodium salt of the conjugate of any bile acid with either glycine or taurine. It is a cholanoid and an organic sodium salt.
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)CC4CC4 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)CC4CC4 is N-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]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 CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C is N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(=O)P(O)(O)=O OC(=O)P(O)(O)=O is phosphoric acid in which one of the hydroxy groups is replaced by a carboxylic acid group. It is used as the trisodium salt as an antiviral agent in the treatment of cytomegalovirus retinitis (CMV retinitis, an inflamation of the retina that can lead to blindness) and as an alternative to ganciclovir for AIDS patients who require concurrent antiretroviral therapy but are unable to tolerate ganciclovir due to haematological toxicity. It has the role of geroprotector . It has the role of antiviral drug . It has the role of HIV-1 reverse transcriptase inhibitor . It has the role of sodium-dependent Pi-transporter inhibitor . Its functional parent is formic acid . Its functional parent is phosphonic acid . It is a conjugate acid of phosphonatoformate . It is a conjugate acid of phosphonoformate(2-) .  It is also related to or classified as carboxylic acid  . It is also related to or classified as phosphonic acids , one-carbon compound .
The molecule C1=CC(=CC=C1C(=O)ON=C(C2=CC=NC=C2)N)Br C1=CC(=CC=C1C(=O)ON=C(C2=CC=NC=C2)N)Br is 4-bromobenzoic acid [[amino(pyridin-4-yl)methylidene]amino] ester. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule CCC/C(=N/OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O is an alkylglucosinolate that is the conjugate base of propylglucosinolic acid. It is a conjugate base of a propylglucosinolic acid.
The molecule CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)O is guanosine with the hydrogen on the hydroxyl at position C-2' substituted with a methyl group. It has a role as a metabolite.
The molecule CC(=O)N[C@@H]1[C@@H]([C@@H]([C@@H](O[C@H]1O)C(=O)O)O)O is a carbohydrate acid derivative that is alpha-L-talosaminuronic acid in which the hydroxy group at position 2 is substituted by an acetamido group. It is a carbohydrate acid derivative, an amino monosaccharide and a hexuronic acid derivative.
The molecule [O-]C(=O)C1=NCCSC1 [O-]C(=O)C1=NCCSC1 is conjugate base of 3,4-dehydrothiomorpholine-3-carboxylic acid. It is also related to or classified as monocarboxylic acid anion  .
The molecule O([C@@H]1[C@@H](O)[C@@H](OC1O)[C@H](O)CO)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO O([C@@H]1[C@@H](O)[C@@H](OC1O)[C@H](O)CO)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO is A glycosylgalactose consisting of an alpha-D-glucopyranose residue and a D-galactofuranose residue joined in sequence by a (1->2) glycosidic bond. Its functional parent is D-galactofuranose . Its functional parent is alpha-D-glucose . It is also related to or classified as glycosylgalactose .
The molecule O1C(C2(OC(=O)C)C(C(OC2)C3=CC(OC)=C(O)C=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C=C4 O1C(C2(OC(=O)C)C(C(OC2)C3=CC(OC)=C(O)C=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C=C4 is 8-Acetoxypinoresinol 4-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3 C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3 is 2-methoxy-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(phenylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCOC(=O)C1=CC=C(C=C1)C(C)(C)C is a benzoate ester obtained by the formal condensation of 4-tert-butylbenzoic acid with ethanol. It has a role as a metabolite.
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)CO)OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(\\C)/CCC=C(C)C)NC(=O)C)O)O)O[C@H]3[C@@H]([C@H]([C@@H](O3)[C@@H](CO)O[C@H]4[C@@H]([C@H]([C@@H](O4)[C@@H](CO[C@H]5[C@@H]([C@H]([C@@H](O5)[C@@H](CO)O[C@H]6[C@@H]([C@H]([C@@H](O6)[C@@H](CO[C@H]7[C@@H]([C@H]([C@@H](O7)[C@@H](CO)O[C@H]8[C@@H]([C@H]([C@@H](O8)[C@@H](CO[C@H]9[C@@H]([C@H]([C@@H](O9)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of [beta-D-Galf-(1->5)-beta-D-Galf-(1->6)]14-beta-D-Galf-(1->5)-beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol; major species at pH 7.3. It is a conjugate base of a [beta-D-Galf-(1->5)-beta-D-Galf-(1->6)]14-beta-D-Galf-(1->5)-beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol.
The molecule CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](O2)[C@@H](CO)O)O)O)O)O)O is the methyl glycoside of the disaccharide beta-D-galactofuranosyl-(1->6)-alpha-D-mannose. It is a methyl glycoside and a disaccharide derivative. It derives from an alpha-D-mannose.
The molecule O1C(OC(COC2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)CO)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO O1C(OC(COC2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)CO)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO is A glycosylglycerol that is glycerol in which the hydroxy groups at positions 1 and 2 have been converted into the corresponding D-galactopyranoside and D-glucopyranoside derivatives, respectively. It is also related to or classified as glycosylglycerol .
The molecule O1[C@@H](O[C@@H]([C@@]2(OC(O)[C@H](O)[C@H]2O)[H])CO)[C@H](O)[C@@H](O)[C@@]1([C@H](O)CO)[H] O1[C@@H](O[C@@H]([C@@]2(OC(O)[C@H](O)[C@H]2O)[H])CO)[C@H](O)[C@@H](O)[C@@]1([C@H](O)CO)[H] is A glycosylgalactose consisting of a beta-D-galactofuranose residue and a D-galactofuranose residue joined in sequence by a (1->5) glycosidic bond. Its functional parent is D-galactofuranose . Its functional parent is beta-D-galactofuranose . It is also related to or classified as glycosylgalactose .