anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O is A glycoside that is the n-propyl glycoside of beta-D-mannopyranosyl-(1->2)-2-thio-beta-D-mannopyranosyl-(1->2)-beta-D-mannopyranose. It is also related to or classified as glycoside  . It is also related to or classified as S-glycosyl compound .
The molecule OC(=O)CCC\C=C\C(c1ccccc1)c1c(O)c(C(CCCC(O)=O)\C=C\c2ccccc2)c(O)c2C(=O)CC(Oc12)c1ccccc1 OC(=O)CCC\C=C\C(c1ccccc1)c1c(O)c(C(CCCC(O)=O)\C=C\c2ccccc2)c(O)c2C(=O)CC(Oc12)c1ccccc1 is A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7, a 6-carboxy-1-phenylhex-2-en-1-yl group at position 8 and 6-carboxy-1-phenylhex-2-en-3-yl groups at position 6. It has been isolated as a racemate from the bark of Cryptocarya chartacea and exhibits inhibitory activity against dengue virus NS5 polymerase. It has the role of antiviral agent . It has the role of plant metabolite . It is also related to or classified as dicarboxylic acid , dihydroxyflavanone .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@H](C)CO)C)CNC C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@H](C)CO)C)CNC is 1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@@H]1CC(CC2)(C)C)C is a pentacyclic triterpenoid that is oleanane which is substituted by hydroxy groups at the 3beta and 24 positions, and which has a double bond between positions 12 and 13. It derives from a beta-amyrin. It derives from a hydride of an oleanane.
The molecule CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O is an organophosphate oxoanion obtained by deprotonation of the triphosphate OH groups of adenosine thiamine triphosphate. It is a conjugate base of an adenosine thiamine triphosphate.
The molecule CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O is a carboxylic ester resulting from the formal condensation of (S)-2-methylbutyric acid with the hydroxy group adjacent to the ring junction of (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid. Derived from microbial transformation of mevastatin, pravastatin is a reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA). The sodium salt is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin. It has a role as a metabolite, an anticholesteremic drug, a xenobiotic and an environmental contaminant. It is a 3-hydroxy carboxylic acid, a hydroxy monocarboxylic acid, a carboxylic ester, a secondary alcohol, a carbobicyclic compound and a statin (semi-synthetic). It derives from a (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid and a (S)-2-methylbutyric acid. It is a conjugate acid of a pravastatin(1-).
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O is a steroid glucosiduronic acid that is 2-methoxyestrone having a single beta-D-glucuronic acid residue attached at position 3. It has a role as a mouse metabolite. It is a 17-oxo steroid, a beta-D-glucosiduronic acid, an aromatic ether and a steroid glucosiduronic acid. It derives from a 2-methoxyestrone. It is a conjugate acid of a 2-methoxyestrone 3-O-(beta-D-glucuronide)(1-).
The molecule C(CCC)C/C=C\C[C@H]([C@@H](C/C=C\C/C=C\CCCC([O-])=O)O)O C(CCC)C/C=C\C[C@H]([C@@H](C/C=C\C/C=C\CCCC([O-])=O)O)O is A (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoate obtained by deprotonation of the carboxy group of (5Z,8Z,11R,12R,14Z)-11,12-dihydroxyicosatrienoic acid; major species at pH 7.3. It is also related to or classified as (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoate  .
The molecule O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O is trianion of xanthosine 5'-triphosphate arising from deprotonation of three of the four free triphosphate OH groups. It is a conjugate acid of XTP(4-) . It is also related to or classified as xanthosine 5'-phosphate , ribonucleoside triphosphate oxoanion .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O is A linear amino trisaccharide consisting of beta-D-glucose at the reducing end having an N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl group attached at the 4-position. It has the role of epitope . It is also related to or classified as glucosamine oligosaccharide , amino trisaccharide .
The molecule C1[C@H](C([C@@H](CC1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O is an alkyl caffeate ester obtained by the formal condensation of the carboxy group of trans-caffeic acid with the 1-hydroxy group of (-)-quinic acid. It has a role as a Camellia sinensis metabolite, a NF-kappaB inhibitor, an antineoplastic agent and an antioxidant. It is a quinic acid and an alkyl caffeate ester. It derives from a trans-caffeic acid. It derives from a hydride of a (-)-quinic acid.
The molecule C(CCC)C[C@H]([C@@H](C/C=C\C/C=C\C/C=C\CCCC([O-])=O)O)O C(CCC)C[C@H]([C@@H](C/C=C\C/C=C\C/C=C\CCCC([O-])=O)O)O is A (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoate obtained by deprotonation of the carboxy group of (5Z,8Z,11Z,14R,15R)-14,15-dihydroxyicosatrienoic acid; major species at pH 7.3. It is also related to or classified as (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoate  .
The molecule C=1(C=CC(=CC1)N)S(NC=2C=C(ON2)C)(=O)=O C=1(C=CC(=CC1)N)S(NC=2C=C(ON2)C)(=O)=O is an isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position. It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of antiinfective agent . It has the role of xenobiotic . It has the role of P450 inhibitor . It has the role of EC 2.5.1.15 (dihydropteroate synthase) inhibitor . It has the role of epitope . It has the role of EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor . It has the role of environmental contaminant . It has the role of drug allergen . Its functional parent is sulfanilamide .  It is also related to or classified as isoxazoles  .  It is also related to or classified as sulfonamide  . It is also related to or classified as substituted aniline , sulfonamide antibiotic .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3 C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3 is 3-cyclohexyl-1-[[(3R,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1[C@@H]([C@@H](CC1)CC(O)=O)CCCCC O=C1[C@@H]([C@@H](CC1)CC(O)=O)CCCCC is (+)-7-epi--9,10-dihydrojasmonic acid. Its functional parent is jasmonic acid . It is also related to or classified as Jasmonate derivatives , oxo monocarboxylic acid .
The molecule CC1=C[C@@H]2[C@](CC[C@H]3[C@]2(CC[C@@H](C3(C)C)OC(=O)C)CO)([C@]4([C@@]1(C(=C(C4=O)C)O)C)C(=O)OC)C is a 17-oxo steroid that is andrastin C in which a hydrogen of the methyl group at position 19 has been replaced by a hydroxy group. A farnesyltransferase inhibitor produced by Penicillium roqueforti, a filamentous fungus involved in the ripening of several kinds of blue cheeses. It has a role as an EC 2.5.1.58 (protein farnesyltransferase) inhibitor and a Penicillium metabolite. It is a 5beta steroid, an acetate ester, a 17-oxo steroid, a 15-hydroxy steroid, an enol, a 19-hydroxy steroid, a methyl ester, a meroterpenoid and a primary alcohol. It derives from an andrastin C. It is a conjugate acid of an andrastin B(1-).
The molecule C(CCC)C/C=C\C/C=C\C[C@@H]([C@H](C/C=C\CCCC([O-])=O)O)O C(CCC)C/C=C\C/C=C\C[C@@H]([C@H](C/C=C\CCCC([O-])=O)O)O is A (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoate obtained by deprotonation of the carboxy group of (5Z,8S,9S,11Z,14Z)-8,9-dihydroxyicosatrienoic acid; major species at pH 7.3. It is also related to or classified as (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoate  .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3 is 3-cyclohexyl-1-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1O[C@H](CCCCCCCCCC(=O)CCC[C@H](O)C)C=2C1=C(OC)C=C(O)C2O O=C1O[C@H](CCCCCCCCCC(=O)CCC[C@H](O)C)C=2C1=C(OC)C=C(O)C2O is (+)-6-Hydroxysporotricale, open form. It is also related to or classified as long-chain fatty alcohol  .
The molecule [H][C@]12C[C@@H](C)C[C@@H](C)[C@]1([H])[C@@H](\C(O)=C1\C(=O)N[C@@H](C[C@](C)(O)C(O)=O)C1=O)[C@]([H])(C=C2)C(\C)=C\C [H][C@]12C[C@@H](C)C[C@@H](C)[C@]1([H])[C@@H](\C(O)=C1\C(=O)N[C@@H](C[C@](C)(O)C(O)=O)C1=O)[C@]([H])(C=C2)C(\C)=C\C is A member of the class of pyrrolidin-2-ones isolated from the fungal fermentation broth of  Chaetomium globosum and shown to exhibit inhibitory activity against chemokine receptor CCR-5. It has the role of chemokine receptor 5 antagonist . It has the role of Chaetomium metabolite . It is a conjugate acid of sch 210972(2-) .   It is also related to or classified as enol  . It is also related to or classified as pyrrolidin-2-ones  . It is also related to or classified as octahydronaphthalenes , monocarboxylic acid , carbobicyclic compound .
The molecule CCCCC[C@@H](/C=C/C1=CCC(=O)[C@@H]1C/C=C\\CCCC(=O)[O-])O is a prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin C2, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a prostaglandin C2.
The molecule CC1=CSC2=C1N=C(SC2=O)NC(=O)C3=CC=C(C=C3)F CC1=CSC2=C1N=C(SC2=O)NC(=O)C3=CC=C(C=C3)F is 4-fluoro-N-(7-methyl-4-oxo-2-thieno[3,2-d][1,3]thiazinyl)benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule O(C=1C=CC=CC1Br)C=2C(=CC(=CC2)Br)Br O(C=1C=CC=CC1Br)C=2C(=CC(=CC2)Br)Br is A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 2', and 4 positions have been replaced by bromines. It is also related to or classified as polybromodiphenyl ether .
The molecule CCCCOC(=O)C(C)NC1=NNC(=S)NC1=O CCCCOC(=O)C(C)NC1=NNC(=S)NC1=O is 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]propanoic acid butyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule CC(CCC=C(C)C)c1ccc(C)cc1 CC(CCC=C(C)C)c1ccc(C)cc1 is A sesquiterpene that is 2-methyl-2-heptene in which one of the hydrogens at position 6 is substituted by a p-tolyl group. It is also related to or classified as sesquiterpene  .
The molecule C/C(=C\\C=C\\O)/C=C/C=O is a hydroxyaldehyde in which the hydroxy group is at C-7 of (2E,4E,6E)-4-methylhepta-2,4,6-trienal. It is a hydroxyaldehyde and an enal. It derives from a hydride of a 4-methylheptane.
The molecule C=1C=C(C2N(CCC2)C)C=NC1 C=1C=C(C2N(CCC2)C)C=NC1 is an N-alkylpyrrolidine that consists of N-methylpyrrolidine bearing a pyridin-3-yl substituent at position 2. It is also related to or classified as pyridine alkaloid , pyrrolidine alkaloid , N-alkylpyrrolidine .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CNC C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CNC is 1-(3,5-dimethyl-4-isoxazolyl)-3-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][Bi+]([H])[H] [H][Bi+]([H])[H] is trihydridobismuth(.1+). It is also related to or classified as inorganic radical cation , bismuth hydride .
The molecule O=C(CCCCCCCC(O)=O)CCC O=C(CCCCCCCC(O)=O)CCC is 9-keto lauric acid. It is also related to or classified as medium-chain fatty acid  .
The molecule C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)O[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)O)O)O)O is a polyanionic polymer obtained by deprotonation of the carboxy groups of glucuronoxylan D-glucuronate. Major microspecies at pH 7.3 It is a polyanionic polymer and a carbohydrate acid anion. It is a conjugate base of a glucuronoxylan D-glucuronate.
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3 is N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]12N(C(=O)\C(C1=O)=C(\C)O)C(C)(C)[C@]1([H])Cc3cccc4[nH]cc(c34)[C@]21[H] [H][C@@]12N(C(=O)\C(C1=O)=C(\C)O)C(C)(C)[C@]1([H])Cc3cccc4[nH]cc(c34)[C@]21[H] is alpha-cyclopiazonic acid. It is a conjugate acid of alpha-cyclopiazonate . It is also related to or classified as alpha-cyclopiazonic acids .
The molecule CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 5-hydroxyferulic acid. It derives from a 5-hydroxyferulic acid.
The molecule OC(=O)CCCCCCCCC\C=C\CCCCCCCCCC OC(=O)CCCCCCCCC\C=C\CCCCCCCCCC is 11-docosenoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule C[C@]1([C@H](CC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)O)C(=O)O)O)C(=O)O is a C20-gibberellin that is gibberellin A12 in which the 4a-methyl group is oxidised to the corresponding carboxylic acid and a hydroxy substituent is present at the 2beta-position. It is a C20-gibberellin and a tricarboxylic acid. It derives from a gibberellin A12.
The molecule CCC1(CC)C(=O)NC(=O)NC1=O CCC1(CC)C(=O)NC(=O)NC1=O is A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by two ethyl groups. Formerly used as a hypnotic (sleeping aid). It has the role of drug allergen . It is also related to or classified as barbiturates  .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3CC3 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3CC3 is 1-[(3S,9S,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]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1CCC(=CC=2N3CCC[C@H]([NH3+])C(=O)OCCC(=CC=4N5CCC[C@H]([NH3+])C(=O)OCCC(=CC=6N(CCC[C@H]([NH3+])C1=O)O[Fe-3](O5)(O3)([O+]6)([O+]4)[O+]2)C)C)C O1CCC(=CC=2N3CCC[C@H]([NH3+])C(=O)OCCC(=CC=4N5CCC[C@H]([NH3+])C(=O)OCCC(=CC=6N(CCC[C@H]([NH3+])C1=O)O[Fe-3](O5)(O3)([O+]6)([O+]4)[O+]2)C)C)C is major microspecies at pH 7.3. It is also related to or classified as ammonium ion derivative , azamacrocycle .
The molecule CC(CCCCCC/C=C\\CCCCCCCC(=O)O)O is an (omega-1)-hydroxy fatty acid that is (9Z)-octadec-9-enoic acid (oleic acid) in which a hydrogen at position 17 has been replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid, a long-chain fatty acid and a hydroxy monounsaturated fatty acid. It derives from an oleic acid. It is a conjugate acid of a (9Z)-17-hydroxyoctadec-9-enoate.
The molecule Nc1ccccc1O Nc1ccccc1O is the aminophenol which has the single amino substituent located ortho to the phenolic -OH group. It has the role of bacterial metabolite . It is also related to or classified as aminophenol  .
The molecule C=1N(C(NC(C1)=O)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C)[NH3+])O)NC(C)=O)(=O)[O-])(=O)[O-] C=1N(C(NC(C1)=O)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C)[NH3+])O)NC(C)=O)(=O)[O-])(=O)[O-] is major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule OC(=O)CCCCCCCCCCCCCCCCC/C=C\CC OC(=O)CCCCCCCCCCCCCCCCC/C=C\CC is 19Z-docosenoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule CC(=O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O is an O-acyl carbohydrate consisting of maltose carrying an anomeric O-acetyl substituent. It is an O-acyl carbohydrate and a disaccharide derivative. It derives from a maltose.
The molecule C1(=C(OC(C1=O)CC)C)O C1(=C(OC(C1=O)CC)C)O is A member of the class of furans that is furan-3(2H)-one carrying additional ethyl, hydroxy and methyl substituents at positions 2, 4 and 5 respectively. A key aroma compound in soy sauce and fish sauce. It has the role of Saccharomyces cerevisiae metabolite .  It is also related to or classified as enol  . It is also related to or classified as furans , cyclic ketone .
The molecule I[Hg]I I[Hg]I is A mercury coordination entity composed of mercury and iodine with formula HgI2. It is also related to or classified as mercury coordination entity .
The molecule O=C1O[C@H]([C@@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H](N)CC(=O)O)CC(C)C)CC=2C1=C(O)C=CC2 O=C1O[C@H]([C@@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H](N)CC(=O)O)CC(C)C)CC=2C1=C(O)C=CC2 is AI-77-B. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC(=O)CCCCCCCCCCCCC/C=C/CCCCCC OC(=O)CCCCCCCCCCCCC/C=C/CCCCCC is 15-docosenoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule CC(=O)N[C@@H](CCCC(=O)[O-])C(=O)[O-] is an N-acyl-L-alpha-amino acid anion arising from deprotonation of both carboxy groups of N-acetyl-L-2-aminoadipic acid; major species at pH 7.3. It has a role as a metabolite. It is a N-acyl-L-alpha-amino acid anion and a dicarboxylic acid dianion. It is a conjugate base of a N-acetyl-L-2-aminoadipic acid.
The molecule C1(=C(O/C(/C1=O)=C/C)C)O C1(=C(O/C(/C1=O)=C/C)C)O is A member of the class of furans that is (2E)-2-ethylidenefuran-3(2H)-one carrying additional hydroxy and methyl substituents at positions 4 and 5 respectively. It has the role of Saccharomyces cerevisiae metabolite .  It is also related to or classified as enol  .  It is also related to or classified as enone  . It is also related to or classified as furans , cyclic ketone .
The molecule CC1=C(SC2=C1CN(CN2C(=O)C3=CC=CO3)CC4=CC=NC=C4)C CC1=C(SC2=C1CN(CN2C(=O)C3=CC=CO3)CC4=CC=NC=C4)C is [5,6-dimethyl-3-(pyridin-4-ylmethyl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(2-furanyl)methanone. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule OC(=O)CCC/C=C\CCCCCCCCCCCCCCCC OC(=O)CCC/C=C\CCCCCCCCCCCCCCCC is 5Z-docosenoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule COC1=C2C(=C3C4=C(C=CC(=C4OC)O)C(=O)C5=NC=CC1=C35)OCO2 is an isoquinoline alkaloid that is 4,5,6,6a-tetradehydronoraporphin-7-one substituted by a methylenedioxy group across positions 1 and 2, methoxy groups at positions 3 and 11 and a hydroxy group at position 10. Isolated from the roots of Lindera chunii, it exhibits anti-HIV activity. It has a role as a metabolite and a HIV-1 integrase inhibitor. It is an isoquinoline alkaloid, an organic heteropentacyclic compound, a cyclic ketone, a member of phenols, an aromatic ether and an oxacycle. It derives from an aporphine.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F is N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [NH3+][C@H](C(=O)[O-])CC(N[C@@H](CCCNC(=[NH2+])N)C([O-])=O)=O [NH3+][C@H](C(=O)[O-])CC(N[C@@H](CCCNC(=[NH2+])N)C([O-])=O)=O is A dipeptide zwitterion obtained by transfer of two protons from the carboxy to the amino and guanidino groups of beta-Asp-Arg; major species at pH 7.3. It is also related to or classified as dipeptide zwitterion  .
The molecule CC1(CC(=NNC(=O)C2=CN=CC=C2)CC(=O)C1)C CC1(CC(=NNC(=O)C2=CN=CC=C2)CC(=O)C1)C is N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-pyridinecarboxamide. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule OC(=O)[C@@H](C[C@@H](CCCCCCCCCCCCCCCCCC)C)C OC(=O)[C@@H](C[C@@H](CCCCCCCCCCCCCCCCCC)C)C is Mycocerosic acid (C24). It is also related to or classified as very long-chain fatty acid  .
The molecule OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O is d-Galactopyranose having alpha-configuration at the anomeric centre. It has the role of mouse metabolite . It is also related to or classified as D-galactopyranose  .
The molecule OC(=O)CCCCCCCCCCCCC/C=C\CCCCCC OC(=O)CCCCCCCCCCCCC/C=C\CCCCCC is 15Z-docosenoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule COC1=C(C=C2C=NC=CC2=C1)OC is a member of the class of isoquinolines carrying two methoxy substituents at positions 6 and 7. It has a role as a plant metabolite. It is an isoquinoline alkaloid and a member of isoquinolines.
The molecule C1[C@H]2[C@@H]([C@H](O[C@@H]1O2)/C=C/[C@H](CCC(CC)O)O)C/C=C\CCCC([O-])=O C1[C@H]2[C@@H]([C@H](O[C@@H]1O2)/C=C/[C@H](CCC(CC)O)O)C/C=C\CCCC([O-])=O is A thromboxane anion that is the conjugate base of 18-hydroxythromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is thromboxane A2(1-) . It is also related to or classified as thromboxane anion .
The molecule CCCC(C)C1(CC)C(=O)NC(=O)NC1=O CCCC(C)C1(CC)C(=O)NC(=O)NC1=O is A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups. It has the role of GABAA receptor agonist . It is also related to or classified as barbiturates  .
The molecule OC[C@H]1O[C@H](OC[C@@H](O)COP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@H](OC[C@@H](O)COP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O is A galactosylglycerol phosphate compond having an alpha-D-galactosyl residue attached to the 1-position of an sn-glycerol 3-phosphate. It is a conjugate acid of 1-alpha-D-galactosyl-sn-glycerol 3-phosphate(2-) . It is also related to or classified as galactosylglycerol phosphate .