anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Cc1cn([C@H]2C[C@@H]3OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4O)n4cc(C)c(=O)n(CCSSCCn5c(=O)c(C)cn([C@H]6C[C@H](OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7O)n7cc(C)c(=O)n(CCSSCCn8c(=O)c(C)cn([C@H]9C[C@H](OP(O)(=O)OC[C@H]%10O[C@H](C[C@@H]%10OP(O)(=O)OC[C@H]%10O[C@H](C[C@@H]%10OP(O)(=O)OC[C@H]%10O[C@H](C[C@@H]%10OP(O)(=O)OC[C@H]%10O[C@H](C[C@@H]%10OP(O)(=O)OC[C@H]3O2)n2cc(C)c(=O)[nH]c2=O)n2ccc(N)nc2=O)n2cnc3c2nc(N)[nH]c3=O)n2ccc(N)nc2=O)[C@@H](CO)O9)c8=O)c7=O)n2cnc3c2nc(N)[nH]c3=O)n2ccc(N)nc2=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c(N)ncnc23)n2cnc3c(N)ncnc23)n2cc(C)c(=O)[nH]c2=O)n2cc(C)c(=O)[nH]c2=O)n2ccc(N)nc2=O)n2cnc3c2nc(N)[nH]c3=O)n2ccc(N)nc2=O)[C@@H](CO)O6)c5=O)c4=O)n2cnc3c2nc(N)[nH]c3=O)n2ccc(N)nc2=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c(N)ncnc23)n2cnc3c(N)ncnc23)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@@H]3OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4O)n4cc(C)c(=O)n(CCSSCCn5c(=O)c(C)cn([C@H]6C[C@H](OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7OP(O)(=O)OC[C@H]7O[C@H](C[C@@H]7O)n7cc(C)c(=O)n(CCSSCCn8c(=O)c(C)cn([C@H]9C[C@H](OP(O)(=O)OC[C@H]%10O[C@H](C[C@@H]%10OP(O)(=O)OC[C@H]%10O[C@H](C[C@@H]%10OP(O)(=O)OC[C@H]%10O[C@H](C[C@@H]%10OP(O)(=O)OC[C@H]%10O[C@H](C[C@@H]%10OP(O)(=O)OC[C@H]3O2)n2cc(C)c(=O)[nH]c2=O)n2ccc(N)nc2=O)n2cnc3c2nc(N)[nH]c3=O)n2ccc(N)nc2=O)[C@@H](CO)O9)c8=O)c7=O)n2cnc3c2nc(N)[nH]c3=O)n2ccc(N)nc2=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c(N)ncnc23)n2cnc3c(N)ncnc23)n2cc(C)c(=O)[nH]c2=O)n2cc(C)c(=O)[nH]c2=O)n2ccc(N)nc2=O)n2cnc3c2nc(N)[nH]c3=O)n2ccc(N)nc2=O)[C@@H](CO)O6)c5=O)c4=O)n2cnc3c2nc(N)[nH]c3=O)n2ccc(N)nc2=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c(N)ncnc23)n2cnc3c(N)ncnc23)c(=O)[nH]c1=O is A cyclic oligonucleotide consisting of TGCGAATTCGCT and TGCGAATTCGCT strands of DNA linked by hydrogen bonding between the base pairs and also covalently via two disulfanediyldiethane-1,2-diyl linkages between the N-3 atoms of the terminal thymidine residues. It is also related to or classified as cyclic oligonucleotide .
The molecule C[C@H](O)[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H]1O C[C@H](O)[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H]1O is A quercetin O-glycoside that is quercetin attached to a alpha-L-rhamnofuranosyl moiety at position 3 via a glycosidic linkage. It has the role of metabolite . It is also related to or classified as tetrahydroxyflavone  .  It is also related to or classified as alpha-L-rhamnofuranoside  . It is also related to or classified as monosaccharide derivative , quercetin O-glycoside .
The molecule Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3ccc(N)nc3=O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3ccc(N)nc3=O)O2)c(=O)[nH]c1=O is A single-stranded DNA oligonucleotide comprised of one thymidine, one deoxyguanidine and two deoxycytidine residues connected by 3'->5' phosphodiester linkages in the sequence CTGC. It is also related to or classified as single-stranded DNA oligonucleotide .
The molecule Nc1c(CC([O-])=O)cccc1C(=O)c1ccccc1 Nc1c(CC([O-])=O)cccc1C(=O)c1ccccc1 is an oxo monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of amfenac. The major species at pH 7.3. It is also related to or classified as oxo monocarboxylic acid anion .
The molecule Nc1ccn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c(N)ncnc34)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cnc4c3nc(N)[nH]c4=O)O2)c(=O)n1 Nc1ccn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c(N)ncnc34)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cnc4c3nc(N)[nH]c4=O)O2)c(=O)n1 is A single-stranded DNA oligonucleotide comprised of one deoxycytidine, one deoxyadenosine and two deoxyguanosine residues connected by 3'->5' phosphodiester linkages in the sequence GCAG. It is also related to or classified as single-stranded DNA oligonucleotide .
The molecule CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\Cc1cc(O)c(C)c(C)c1O CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\Cc1cc(O)c(C)c(C)c1O is the (R,R)-stereoisomer of 2,3-dimethyl-6-phytylhydroquinone. It has the role of metabolite . It is also related to or classified as 2,3-dimethyl-6-phytylhydroquinone  .
The molecule C[C@H](O)[C@@H]1O[C@@H](O)[C@H](O)[C@@H]1O C[C@H](O)[C@@H]1O[C@@H](O)[C@H](O)[C@@H]1O is an L-rhamnofuranose having alpha-configuration at the anomeric centre. It is also related to or classified as L-rhamnofuranose  .
The molecule C[C@H]1O[C@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)c(O)c2)c(O)c3=O)[C@@H](O)[C@@H](O)[C@@H]1O C[C@H]1O[C@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)c(O)c2)c(O)c3=O)[C@@H](O)[C@@H](O)[C@@H]1O is A quercetin O-glycoside that is  quercetin attached to a alpha-D-rhamnopyranosyl moiety at position 7 via a glycosidic linkage. It has the role of metabolite . Its functional parent is alpha-D-rhamnose . It is also related to or classified as flavonols  . It is also related to or classified as tetrahydroxyflavone  .  It is also related to or classified as alpha-D-rhamnoside  . It is also related to or classified as monosaccharide derivative , quercetin O-glycoside .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC is A monoglyceride that is 1-oleoyl-sn-glycerol in which the hydroxyl hydrogen at position 2 is replaced by an arachidonyl group. Its functional parent is oleic acid . It is also related to or classified as monoacylglycerol  . It is also related to or classified as ether lipid .
The molecule CCCCCCCCCCCCCC[C@@H](O)C([O-])=O CCCCCCCCCCCCCC[C@@H](O)C([O-])=O is the R-enantiomer of 2-hydroxyhexadecanoate. It is also related to or classified as 2-hydroxyhexadecanoate  . It is also related to or classified as (2R)-2-hydroxy fatty acid anion  .
The molecule COC(\C=C\C(O)=O)=C/C(C)=C/C1CCCc2oc3ccc(O)cc3c12 COC(\C=C\C(O)=O)=C/C(C)=C/C1CCCc2oc3ccc(O)cc3c12 is A monocarboxylic acid that is (2E,4Z,6E)-4-methoxy-6-methylhepta-2,4,6-trienoic acid substituted at position 7 by an 8-hydroxy-1,2,3,4-tetrahydrodibenzofuran-1-yl group. It has the role of metabolite . It is also related to or classified as phenols  .  It is also related to or classified as enol ether  . It is also related to or classified as dibenzofurans , alpha,beta-unsaturated monocarboxylic acid .
The molecule Oc1cc(=O)[nH]c2ccccc12 Oc1cc(=O)[nH]c2ccccc12 is A heteroaryl hydroxy compound that is 2-quinolone substituted at position 4 by a hydroxy group. It is also related to or classified as quinolone , heteroaryl hydroxy compound .
The molecule NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N is A monocarboxylic acid amide that is amfenac in which the carboxylic acid group has been converted into the corresponding carboxamide. It is a prodrug for amfenac, used in eye drops to treat pain and inflammation following cataract surgery. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of prodrug . It has the role of cyclooxygenase 2 inhibitor . It has the role of cyclooxygenase 1 inhibitor . It is also related to or classified as monocarboxylic acid amide  .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)CO CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)CO is A monoalkylglycerol that is glycerol which is substituted by a (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl group at position 2.  It is also related to or classified as 2-alkylglycerol  . It is also related to or classified as endocannabinoid , monoalkylglycerol .
The molecule CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C([O-])=O CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C([O-])=O is A hydroxy fatty acid anion that is the conjugate base of (R)-2-hydroxylignoceric acid, obtained by deprotonation of the carboxy group. It is also related to or classified as very long-chain fatty acid anion  . It is also related to or classified as (2R)-2-hydroxy fatty acid anion  .
The molecule C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[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](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@](C)(CO)O1 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[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](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@](C)(CO)O1 is A steroid saponin that is avenacoside B lacking the 26-O-glucosyl residue. It has the role of metabolite . Its functional parent is nuatigenin . Its functional parent is avenacoside B . It is also related to or classified as steroid saponin , tetrasaccharide derivative , hexacyclic triterpenoid , spiroketal .
The molecule CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\Cc1cc(O)cc(C)c1O CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\Cc1cc(O)cc(C)c1O is the (R,R)-stereoisomer of 2-methyl-6-phytylhydroquinone. It has the role of metabolite . It is also related to or classified as 2-methyl-6-phytylhydroquinone  .
The molecule OC[C@@H]1O[C@H](O[C@@H]2CN[C@@H](C2)C(O)=O)[C@H](O)[C@H]1O OC[C@@H]1O[C@H](O[C@@H]2CN[C@@H](C2)C(O)=O)[C@H](O)[C@H]1O is an O(4)-glycosyl-L-hydroxyproline that is cis-L-hydroxylproline glycosylated by a beta-L-Araf moiety. Its functional parent is cis-4-hydroxy-L-proline . It is also related to or classified as O(4)-glycosyl-L-hydroxyproline , monosaccharide derivative , non-proteinogenic L-alpha-amino acid , L-proline derivative .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)CO CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)CO is A 3-acyl-sn-glycerol in which the acyl group is (9Z)-octadec-9-enoyl. Its functional parent is oleic acid . It is also related to or classified as 3-acyl-sn-glycerol  . It is also related to or classified as 1-oleoylglycerol  .
The molecule CCc1cc2c(occ(-c3nc4ccccc4s3)c2=O)c(CN2CCCCC2)c1O CCc1cc2c(occ(-c3nc4ccccc4s3)c2=O)c(CN2CCCCC2)c1O is A chromone that is 3-(1,3-benzothiazol-2-yl)-8-(1-piperidinylmethyl)chromen-4-one bearing additional ethyl and hydroxy substituents at positions 6 and 7 respectively. It has the role of antineoplastic agent . It has the role of EC 6.3.2.19 (ubiquitin--protein ligase) inhibitor .   It is also related to or classified as phenols  . It is also related to or classified as chromones , piperidines , benzothiazoles .
The molecule C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@](C)(CO)O1 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@](C)(CO)O1 is A steroid saponin that is avenacoside A lacking the 26-O-glucosyl residue. It has the role of metabolite . Its functional parent is nuatigenin . Its functional parent is avenacoside A . It is also related to or classified as steroid saponin , trisaccharide derivative , hexacyclic triterpenoid , spiroketal .
The molecule CC1C(C=O)=CNC=C1C=O CC1C(C=O)=CNC=C1C=O is A dialdehyde in which the two carbaldehyde functions are at positions 3 and 5 of 4-methyl-1,4-dihydropyridine. Although the compound is an entity in its own right, the nitrogen of the dihydropyridine ring may also arise from the epsilon-amino group of a lysine residue within a protein [MDHDC-protein adduct; malonaldedehyde (synonym malondialdehyde) acetaldehyde (MAA)-protein adduct]. It has the role of epitope .  It is also related to or classified as dihydropyridine  . It is also related to or classified as dialdehyde .
The molecule Cc1ccc2c(oc3c(CC(O)=O)cccc3c2=O)c1C Cc1ccc2c(oc3c(CC(O)=O)cccc3c2=O)c1C is A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 5,6-dimethyl-9-oxoxanthen-4-yl group. It has the role of antineoplastic agent . It is also related to or classified as monocarboxylic acid , xanthones .
The molecule Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]3n1cnc2c(N)ncnc12 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]3n1cnc2c(N)ncnc12 is A cyclic purine dinucleotide that consists of AMP and GMP units cyclised via 2',5'-linkages. It is also related to or classified as cyclic purine dinucleotide , guanyl ribonucleotide , adenyl ribonucleotide .
The molecule O=C1Oc2ccccc2Oc2ccccc12 O=C1Oc2ccccc2Oc2ccccc12 is the simplest member of the class of  depsidones comprising of a heterotricyclic system that is 11H-dibenzo[b,e][1,4]dioxepine substituted by an oxo group at position 11. It is also related to or classified as organic heterotricyclic compound , depsidones .
The molecule CCCCCCCCCCCCCCCCOC[C@H](CO)OC(C)=O CCCCCCCCCCCCCCCCOC[C@H](CO)OC(C)=O is A 1-alkyl-2-acetylglycerol in which the 1-alkyl group is specified as palmityl (hexadecyl). Its functional parent is acetic acid . It is also related to or classified as 1-alkyl-2-acetyl-sn-glycerol  . It is also related to or classified as 1-alkyl-2-acetylglycerol  .
The molecule Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3ccc(N)nc3=O)n3cnc4c(N)ncnc34)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cnc4c(N)ncnc34)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3ccc(N)nc3=O)[C@@H](CO)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3ccc(N)nc3=O)n3cnc4c(N)ncnc34)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cnc4c(N)ncnc34)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3ccc(N)nc3=O)[C@@H](CO)O2)c(=O)[nH]c1=O is A single-stranded DNA oligonucleotide comprised of four deoxyadenosine, five deoxycytidine, six thymidine and three deoxyguanosine residues connected by 3'->5' phosphodiester linkages in the sequence T-C-A-A-C-C-G-A-T-T-T-C-G-G-T-T-A-C. It is also related to or classified as single-stranded DNA oligonucleotide .
The molecule CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC is A racemate comprising equimolar amounts of 1-palmitoyl-3-oleoyl-sn-glycerol and 1-oleoyl-3-palmitoyl-sn-glycerol. It is also related to or classified as racemate .
The molecule Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3ccc(N)nc3=O)[C@@H](CO)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3ccc(N)nc3=O)[C@@H](CO)O2)c(=O)[nH]c1=O is A single-stranded DNA oligonucleotide comprised of two deoxyadenosine, one thymidine and three deoxycytidine residues connected by 3'->5' phosphodiester linkages in the sequence TCAACC. It has the role of antigen . It is also related to or classified as single-stranded DNA oligonucleotide .
The molecule Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c(N)ncnc34)n3cnc4c3nc(N)[nH]c4=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cc(C)c(=O)[nH]c3=O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cnc4c3nc(N)[nH]c4=O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c(N)ncnc34)n3cnc4c3nc(N)[nH]c4=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cc(C)c(=O)[nH]c3=O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cnc4c3nc(N)[nH]c4=O)O2)c(=O)[nH]c1=O is A single-stranded DNA oligonucleotide comprised of six deoxyadenosine, three deoxycytidine, four thymidine and five deoxyguanidine residues connected by 3'->5' phosphodiester linkages in the sequence GTAACCGAAATCGGTTGA. It is also related to or classified as single-stranded DNA oligonucleotide .
The molecule CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C is A tetracyclic triterpenoid sapogenin (isolated from ginseng and notoginseng) that is that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions and in which a double bond has been introduced at the 24-25 position. It has the role of metabolite . It is also related to or classified as 3beta-hydroxy-4,4-dimethylsteroid  . It is also related to or classified as sapogenin  .    It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as tetracyclic triterpenoid , 12beta-hydroxy steroid , 6alpha-hydroxy steroid .
The molecule CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC is A galactosylceramide sulfate(1-) in which the ceramide N-acyl group is specified as (R)-2-hydroxybehenoyl. It is also related to or classified as beta-D-galactosylceramide sulfate(1-)  .
The molecule CCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC is A galactosylceramide sulfate(1-) in which the ceramide N-acyl group is specified as (R)-2-hydroxystearoyl. It is also related to or classified as beta-D-galactosylceramide sulfate(1-)  .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C([O-])=O)[C@@H](O)[C@H]1OP([O-])([O-])=O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C([O-])=O)[C@@H](O)[C@H]1OP([O-])([O-])=O is an organophosphate oxoanion obtained by deprotonation of the phosphate, diphosphate and carboxy groups of nicotinic acid-adenine dinucleotide phosphate. It is also related to or classified as organophosphate oxoanion .
The molecule C[C@@H]1O[C@@H](C[C@](C)([NH3+])[C@H]1O)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]1O[C@@H](C[C@](C)([NH3+])[C@H]1O)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-beta-L-4-epi-vancosamine, 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 CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC is A galactosylceramide sulfate(1-) in which the ceramide N-acyl group is specified as docosanoyl. It is also related to or classified as beta-D-galactosylceramide sulfate(1-)  .
The molecule C[NH2+][C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)([NH3+])[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C([O-])=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(Cl)c2 C[NH2+][C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)([NH3+])[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C([O-])=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(Cl)c2 is an organic cation obtained by deprotonation of the carboxy groups and protonation of the two free amino groups of chloroorienticin B. It is a conjugate acid of chloroorienticin B . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC is A D-galactosyl-N-acylsphingosine in which the ceramide N-acyl group is specified as (R)-2-hydroxybehenoyl. Its functional parent is docosanoic acid . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .