anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O[13C](=O)[13C@@H]([15NH2])[13CH2][13C](O)=O O[13C](=O)[13C@@H]([15NH2])[13CH2][13C](O)=O is Aspartic acid-13C4,15N. It is also related to or classified as (13)C-modified compound , (15)N-modified compound , aspartic acid derivative .
The molecule [C@@H]1(N2C=3C(=C(N=CN3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)C[C@H](CC(=O)[O-])O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C=3C(=C(N=CN3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)C[C@H](CC(=O)[O-])O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is (S)-3-hydroxyglutaryl-CoA(5-). Its functional parent is trans-4-carboxybut-2-enoyl-CoA(5-) . It is also related to or classified as omega-carboxy-(fatty acyl)-CoA(5-)  .
The molecule CC1(C)[C@]2(CCC(C)=C1CCC(C)=CCCC(C)=CC2)[H] CC1(C)[C@]2(CCC(C)=C1CCC(C)=CCCC(C)=CC2)[H] is verticilla-3,7,11(12)-triene.  It is also related to or classified as diterpene  . It is also related to or classified as bicyclic compound .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)/C=C/C(=O)C3=C(O)C=C(O)C=C3)COC(=O)/C=C/C4=CC=C(O)C=C4 O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)/C=C/C(=O)C3=C(O)C=C(O)C=C3)COC(=O)/C=C/C4=CC=C(O)C=C4 is MCULE-7899134902. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O is A macrolide antibiotic useful for the treatment of bacterial infections. It has the role of xenobiotic . It has the role of antibacterial drug . It has the role of environmental contaminant . It is also related to or classified as macrolide antibiotic .
The molecule O=C(O)/C=C/C=C/[C@@H]([C@@H]1O[C@@]2(O[C@@H]([C@@H](CC)C=C2)C)[C@H](C)[C@@H]([C@@H]1C)O)C O=C(O)/C=C/C=C/[C@@H]([C@@H]1O[C@@]2(O[C@@H]([C@@H](CC)C=C2)C)[C@H](C)[C@@H]([C@@H]1C)O)C is Pteridic acid A. It is also related to or classified as medium-chain fatty acid  .
The molecule O[13C](=O)[13C](=O)[13CH3] O[13C](=O)[13C](=O)[13CH3] is Pyruvic-13C3 acid. It is also related to or classified as (13)C-modified compound , oxo carboxylic acid .
The molecule CC(=O)N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O CC(=O)N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O is N-acetyl-LL-2,6-diaminopimelic acid. Its functional parent is LL-2,6-diaminopimelic acid . It is a conjugate acid of N-acetyl-LL-2,6-diaminopimelate(2-) . It is a conjugate acid of N-acetyl-LL-2,6-diaminopimelate(1-) . It is also related to or classified as amino dicarboxylic acid .
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+])N(O)O)=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+])N(O)O)=O is major species at pH 7.3. It is also related to or classified as N-hydroxy-alpha-amino-acid anion .
The molecule C1[C@]2([C@]3([C@@](C4=C(C=C(OCC(=O)O)C=C4)CC3)(CC[C@@]2([C@@H](O)C1)C)[H])[H])[H] C1[C@]2([C@]3([C@@](C4=C(C=C(OCC(=O)O)C=C4)CC3)(CC[C@@]2([C@@H](O)C1)C)[H])[H])[H] is A 17beta-hydroxy steroid that is 17beta-estradiol in which the 3-hydroxy group carries a carboxymethyl substituent. It has the role of hapten . Its functional parent is 17beta-estradiol .  It is also related to or classified as ether  . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as monocarboxylic acid .
The molecule N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1 N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1 is A synthetic "carba" analogue of cefaclor, with carbon replacing sulfur at position 1. Used to treat a wide range of infections caused by both gram-positive and gram-negative bacteria. It has the role of antimicrobial agent . It has the role of antibacterial drug . It is a conjugate acid of loracarbef anion . It is also related to or classified as carbacephem  .
The molecule CCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl CCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl is A teicoplanin A2 that has decanoyl as the variable N-acyl group. It has the role of bacterial metabolite . It is also related to or classified as teicoplanin A2  .
The molecule [C@]12(C(/C(/[C@]([C@@]3([C@@]1([C@@](C[C@](C3)(O)C)(C)[H])[H])[H])(O)[C@@]([C@@]2([C@@H](CC)C)[H])(C)O)=C\O)=O)C [C@]12(C(/C(/[C@]([C@@]3([C@@]1([C@@](C[C@](C3)(O)C)(C)[H])[H])[H])(O)[C@@]([C@@]2([C@@H](CC)C)[H])(C)O)=C\O)=O)C is A carbotricyclic compound that is tricyclo[6.2.2.0(2,7)]dodecan-9-one which is substituted by hydroxy groups at positions 1, 4, and 11; by methyl groups at positions 4, 6, 8, and 11; by a hydroxymethylene group at position 10; and by a (2R)-butan-2-yl group at position 12 (the 1S,2S,4R,6R,7S,8R,10Z,11S,12R stereoisomer). A phytotoxin produced by Pleospora betae, the causal fungus of leaf spot disease on sugar beet. It has the role of phytotoxin . It has the role of fungal metabolite . It is also related to or classified as 3-oxo aldehyde  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as bridged compound , carbotricyclic compound .
The molecule S(CC(O[C@H]1[C@]2([C@]3([C@@]([C@H]([C@H](O)[C@](C1)(C)C=C)C)(CCC2C)CCC3=O)[H])C)=O)CCN(CC)CC S(CC(O[C@H]1[C@]2([C@]3([C@@]([C@H]([C@H](O)[C@](C1)(C)C=C)C)(CCC2C)CCC3=O)[H])C)=O)CCN(CC)CC is [(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate. It is also related to or classified as carboxylic ester  . It is also related to or classified as carbotricyclic compound , cyclic ketone .
The molecule CSCC(=NO)C(C)(C)C CSCC(=NO)C(C)(C)C is 3,3-dimethyl-1-(methylsulfanyl)butan-2-one oxime. Its functional parent is 3,3-dimethyl-1-(methylsulfanyl)butan-2-one . It is also related to or classified as ketoxime  .
The molecule OC(=O)C1CCC(CC1)C(O)=O OC(=O)C1CCC(CC1)C(O)=O is A dicarboxylic acid that is cyclohexane substituted by carboxy groups at positions 1 and 4. It is also related to or classified as dicarboxylic acid .
The molecule C1CCC(=C(\C=C\C(=C/C=C/C(=C/COC(CCCCCCCCCCCCCCC)=O)/C)\C)C1(C)C)C C1CCC(=C(\C=C\C(=C/C=C/C(=C/COC(CCCCCCCCCCCCCCC)=O)/C)\C)C1(C)C)C is A retinyl palmitate obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of 9-cis-retinol. Its functional parent is 9-cis-retinol .  It is also related to or classified as 9-cis-retinyl ester  . It is also related to or classified as retinyl palmitate .
The molecule COC(=O)CCSCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O COC(=O)CCSCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O is A tripartite compound comprising an alpha-D-Gal unit linked to beta-D-GlcNAc, which is in turn linked to a CETE (2-[(2-carbomethoxyethylthio)]ethyl; 2-{[2-(methoxycarbonyl)ethylsulfanyl]}ethyl) moiety. It is also related to or classified as organic sulfide  . It is also related to or classified as glycoside  . It is also related to or classified as methyl ester  . It is also related to or classified as disaccharide derivative .
The molecule C(=C\C/C=C\CCCCC)\CCCCCCC=O C(=C\C/C=C\CCCCC)\CCCCCCC=O is A di-unsaturated long chain fatty aldehyde. It is also related to or classified as long-chain fatty aldehyde  .
The molecule O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@](O)(CCCCC)C)C/C=C\CCCC(=O)NCC O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@](O)(CCCCC)C)C/C=C\CCCC(=O)NCC is 15(S)-15-methyl Prostaglandin F2alpha ethyl amide. It is also related to or classified as prostanoid  .
The molecule C1[C@@H](CC2=CC[C@]3([C@]4([C@](CC[C@@]3([C@@]2(C)C1)[H])(C(CC4)=O)C)[H])[H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O C1[C@@H](CC2=CC[C@]3([C@]4([C@](CC[C@@]3([C@@]2(C)C1)[H])(C(CC4)=O)C)[H])[H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O is dehydroepiandrosterone 3-beta-D-glucoside. Its functional parent is dehydroepiandrosterone . It is also related to or classified as sterol 3-beta-D-glucoside  . It is also related to or classified as monosaccharide derivative .
The molecule [H][C@@]12Oc3c(OCCN4CCOCC4)ccc4C[C@H]5N(C)CC[C@@]1(c34)[C@@]5([H])C=C[C@@H]2O [H][C@@]12Oc3c(OCCN4CCOCC4)ccc4C[C@H]5N(C)CC[C@@]1(c34)[C@@]5([H])C=C[C@@H]2O is A morphinane alkaloid that is a derivative of morphine with a 2-morpholinoethyl group at the 3-position. It has the role of opioid analgesic . It has the role of antitussive . It has the role of mu-opioid receptor agonist . It has the role of drug allergen . It is also related to or classified as morphinane alkaloid , organic heteropentacyclic compound .
The molecule C1(C)(C)C(\C=C\C(=C\C=C\C(=C\COC(CCCCCC)=O)\C)\C)=C(C)CCC1 C1(C)(C)C(\C=C\C(=C\C=C\C(=C\COC(CCCCCC)=O)\C)\C)=C(C)CCC1 is an all-trans-retinyl ester obtained by formal condensation of the carboxy group of heptanoic acid with the hydroxy group of all-trans-retinol. Its functional parent is heptanoic acid . It is also related to or classified as all-trans-retinyl ester  .
The molecule Cc1cc(N)c(C)cc1N Cc1cc(N)c(C)cc1N is A primary arylamine that is p-xylene substituted at the 2 and 5 positions by amino groups. It is formally a reduction product of 2,5-dimethyl-1,4-benzoquinonediimine. It has the role of allergen . It is also related to or classified as primary arylamine  .
The molecule OC(=O)C[C@H](N)CC1=CC=CC=C1 OC(=O)C[C@H](N)CC1=CC=CC=C1 is (R)-3-Amino-4-phenylbutanoic acid. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CSC(C)=NOC(=O)NSNC(=O)ON=C(C)SC CSC(C)=NOC(=O)NSNC(=O)ON=C(C)SC is thiodicarb. It has the role of agrochemical . It has the role of molluscicide . It has the role of carbamate insecticide . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is methomyl . It is also related to or classified as organic sulfide  . It is also related to or classified as carbamate ester .
The molecule [H][C@]1(O)OC[C@@]23[C@H](C[C@@H](OC(C)=O)[C@]4(CO[C@@H]([C@@H](O)[C@](C)([C@]12[H])[C@]12O[C@@]1(C)[C@H]1C[C@@H]2O[C@]2([H])OC=C[C@]12O)[C@]34[H])C(=O)OC)OC(=O)C(\C)=C\C [H][C@]1(O)OC[C@@]23[C@H](C[C@@H](OC(C)=O)[C@]4(CO[C@@H]([C@@H](O)[C@](C)([C@]12[H])[C@]12O[C@@]1(C)[C@H]1C[C@@H]2O[C@]2([H])OC=C[C@]12O)[C@]34[H])C(=O)OC)OC(=O)C(\C)=C\C is azadirachtin H. It is also related to or classified as methyl ester  . It is also related to or classified as azadirachtin .
The molecule C1[C@@]2([C@]3(CC[C@]4(C)C(C(C)=O)=CC[C@]4([C@@]3(CC=C2C[C@H](C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[H])[H])[H])C C1[C@@]2([C@]3(CC[C@]4(C)C(C(C)=O)=CC[C@]4([C@@]3(CC=C2C[C@H](C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[H])[H])[H])C is A sterol 3beta-D-glucoside in which the parent sterol is 16,17-didehydropregnenolone. Its functional parent is 16,17-didehydropregnenolone .  It is also related to or classified as sterol 3-beta-D-glucoside  . It is also related to or classified as 20-oxo steroid , monosaccharide derivative .
The molecule CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O is Ginkgoic acid. Its functional parent is salicylic acid . It is also related to or classified as hydroxybenzoic acid .
The molecule [C@@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)(COP([O-])(=O)[O-])OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O [C@@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)(COP([O-])(=O)[O-])OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O is A 1,2-diacyl-sn-glycerol 3-phosphate(2-) in which the 1- and 2-acyl substituent are specified as oleoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively; major species at pH 7.3. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate(2-)  .
The molecule CO[C@@H](\C=C\C=C\C(\C)=C\C)[C@@H](C)[C@@H](OC)[C@@H](C)CCc1oc2c(O)c(OC)cc(OC)c2c(=O)c1C CO[C@@H](\C=C\C=C\C(\C)=C\C)[C@@H](C)[C@@H](OC)[C@@H](C)CCc1oc2c(O)c(OC)cc(OC)c2c(=O)c1C is A member of the class of chromones that is isolated from Stigmatella aurantiaca Sg a15. It has the role of quinol oxidation site inhibitor . It has the role of bacterial metabolite .  It is also related to or classified as phenols  . It is also related to or classified as chromones , aromatic ether , olefinic compound .
The molecule [H]C(SO)=CN [H]C(SO)=CN is an SO-thioperoxol that is ethene-SO-thioperoxol substituted by an amino group at position 2. It is also related to or classified as enamine  . It is also related to or classified as SO-thioperoxol  .
The molecule C(=C/CCCCCCCC/C=C\CCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCC)=O)CO C(=C/CCCCCCCC/C=C\CCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCC)=O)CO is A ceramide obtained by formal condensation of the carboxy group of tricosanoic acid with the amino group of (4E,14Z)-sphinga-4,14-dienine. It has the role of Papio hamadryas metabolite . Its functional parent is tricosanoic acid . It is also related to or classified as ceramide  .
The molecule ClCC1=NCCN1 ClCC1=NCCN1 is an imidazoline that is 4,5-dihydroimidazole bearing a chloromethyl substituent at position 2. It is also related to or classified as organochlorine compound  . It is also related to or classified as imidazolines .
The molecule C[C@H]1C[C@@]2(CO2)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@H]1O C[C@H]1C[C@@]2(CO2)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@H]1O is A 14-membererd macrolide containing ten stereocentres carrying one epoxymethano, three hydroxy and five methyl substituents. It is the aglycone of the antibiotic oleandomycin.  It is also related to or classified as macrolide  . It is also related to or classified as spiro-epoxide , triol , cyclic ketone .
The molecule N1(CCN(CC1)C(=O)C(Cl)Cl)C=O N1(CCN(CC1)C(=O)C(Cl)Cl)C=O is A member of the class of piperazines that is piperazine in which one of the nitrogens is substituted with a formyl group, while the other is substituted with a dichloroacetyl group. An antispermatogenic agent. It has the role of antispermatogenic agent . It is also related to or classified as tertiary carboxamide  .   It is also related to or classified as organochlorine compound  . It is also related to or classified as formamides , piperazines .
The molecule C=1(\C=C\C(=C\C=C\C(\C)=C/COC(CCCCCCCCCCCCCCC)=O)\C)C(C)(C)CCCC1C C=1(\C=C\C(=C\C=C\C(\C)=C/COC(CCCCCCCCCCCCCCC)=O)\C)C(C)(C)CCCC1C is A retinyl ester obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of 13-cis-retinol. Its functional parent is 13-cis-retinol .  It is also related to or classified as 13-cis-retinyl ester  . It is also related to or classified as retinyl palmitate .
The molecule [O-]C(=O)[C@@H]1CCC(=O)N1 [O-]C(=O)[C@@H]1CCC(=O)N1 is conjugate base of 5-oxo-L-proline. Its functional parent is L-prolinate . It is also related to or classified as L-alpha-amino acid anion  .
The molecule C(=C/CCCCCCCC/C=C\CCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCC)=O)CO C(=C/CCCCCCCC/C=C\CCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCC)=O)CO is A ceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of (4E,14Z)-sphinga-4,14-dienine. It has the role of Papio hamadryas metabolite . Its functional parent is docosanoic acid . It is also related to or classified as ceramide  .
The molecule CNC(=O)Oc1cccc(C)c1 CNC(=O)Oc1cccc(C)c1 is metolcarb. It has the role of acaricide . It has the role of agrochemical . It has the role of carbamate insecticide . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is m-cresol . Its functional parent is methylcarbamic acid . It is also related to or classified as carbamate ester .
The molecule CC(C)C[C@H](NC(=O)OC(C)(C)C)C(O)=O CC(C)C[C@H](NC(=O)OC(C)(C)C)C(O)=O is A L-leucine derivative obtained by the substitution of a t-butoxycarbonyl group on the nitrogen atom. It is also related to or classified as carbamate ester , L-leucine derivative .
The molecule [H][C@@]1(CNC(=S)O1)C=C [H][C@@]1(CNC(=S)O1)C=C is A 5-ethenyl-1,3-oxazolidine-2-thione that has S-configuration. It is a constituent of a traditional Chinese herbal medicine, Radix isatidis. It has the role of antiviral agent . It has the role of antithyroid drug . It has the role of plant metabolite . It is also related to or classified as 5-ethenyl-1,3-oxazolidine-2-thione  .
The molecule OC[C@@H](O)COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O OC[C@@H](O)COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O is an inositol phosphate oxoanion obtained by deprotonation of the free phosphate OH group of 1-(sn-glycero-3-phospho)-1D-myo-inositol; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as inositol phosphate oxoanion .
The molecule C1[C@@H](C[C@@]2(CC[C@]3([C@]4([C@](CC[C@@]3([C@@]2(C)C1)[H])(C(CC4)=O)C)[H])[H])[H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O C1[C@@H](C[C@@]2(CC[C@]3([C@]4([C@](CC[C@@]3([C@@]2(C)C1)[H])(C(CC4)=O)C)[H])[H])[H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O is A sterol 3-beta-D-glucoside that has epiandrosterone as the sterol component. Its functional parent is epiandrosterone . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as sterol 3-beta-D-glucoside  . It is also related to or classified as monosaccharide derivative .
The molecule O([C@]12[C@]([C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)OC=C1)(C(=CC2=O)C)[H])[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C O([C@]12[C@]([C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)OC=C1)(C(=CC2=O)C)[H])[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C is Teucardoside. It is also related to or classified as glycoside  . It is also related to or classified as iridoid monoterpenoid .
The molecule C(CCCCCCCC)CCCCC(OCCCCCCCCCCCCCC)=O C(CCCCCCCC)CCCCC(OCCCCCCCCCCCCCC)=O is A tetradecanoate ester (myristate ester) resulting from the formal condensation of the carboxy group of tetradecanoic acid (myristic acid) with the hydroxy group of tetradecan-1-ol (myristyl alcohol). Used as an emollient. It has the role of algal metabolite . Its functional parent is tetradecan-1-ol . It is also related to or classified as wax ester  . It is also related to or classified as tetradecanoate ester  .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O is A UDP-sugar having N-acetyl-D-galactosamine as the sugar component. Its functional parent is UDP-D-galactosamine . It is a conjugate acid of UDP-N-acetyl-D-galactosamine(2-) . It is also related to or classified as UDP-amino sugar .
The molecule CC(C)CCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl CC(C)CCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl is A teicoplanin A2 that has 9-methyldecanoyl as the variable N-acyl group. It has the role of bacterial metabolite . It is also related to or classified as teicoplanin A2  .
The molecule C1[C@@]2([C@]3(CC[C@]4(C)[C@@]5(C(C)=O)[C@@H](C[C@]4([C@@]3(CC=C2C[C@H](C1)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)[H])[H])O5)[H])C C1[C@@]2([C@]3(CC[C@]4(C)[C@@]5(C(C)=O)[C@@H](C[C@]4([C@@]3(CC=C2C[C@H](C1)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)[H])[H])O5)[H])C is an epoxy steroid that is 3beta-hydroxypregnenolone 3-beta-D-glucoside in which the hydrogens at the 16alpha and 17alpha positions have been replaced by the oxygen of the epoxide ring. Its functional parent is 3beta-hydroxy-16alpha,17alpha-epoxypregnenolone .   It is also related to or classified as sterol 3-beta-D-glucoside  . It is also related to or classified as epoxy steroid , 20-oxo steroid , methyl ketone , monosaccharide derivative .
The molecule N(S(O)(=O)=O)[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2OS(O)(=O)=O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)O[C@@H]4O[C@H]([C@H]([C@@H]([C@H]4OS(O)(=O)=O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6OS(O)(=O)=O)O)C(=O)O)COS(O)(=O)=O)C(=O)O)COS(O)(=O)=O)C(=O)O)COS(O)(=O)=O)O[C@H]7[C@@H]([C@H]([C@@H](O[C@H]7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8COS(O)(=O)=O)O[C@H]9[C@@H]([C@H]([C@@H](O[C@@H]9C(=O)O)O[C@H]%10[C@@H]([C@H]([C@H](O[C@@H]%10COS(O)(=O)=O)O)NS(O)(=O)=O)O)O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O N(S(O)(=O)=O)[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2OS(O)(=O)=O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)O[C@@H]4O[C@H]([C@H]([C@@H]([C@H]4OS(O)(=O)=O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6OS(O)(=O)=O)O)C(=O)O)COS(O)(=O)=O)C(=O)O)COS(O)(=O)=O)C(=O)O)COS(O)(=O)=O)O[C@H]7[C@@H]([C@H]([C@@H](O[C@H]7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8COS(O)(=O)=O)O[C@H]9[C@@H]([C@H]([C@@H](O[C@@H]9C(=O)O)O[C@H]%10[C@@H]([C@H]([C@H](O[C@@H]%10COS(O)(=O)=O)O)NS(O)(=O)=O)O)O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O is A heparin decasaccharide consisting of 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, 2-O-sulfo-alpha-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, 2-O-sulfo-alpha-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, 2-O-sulfo-alpha-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, beta-D-glucopyranuronosyl, and 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose units joined in sequence by (1->4) linkages. Sequence: DUA2S-GlcNS6S-IdoA2S-GlcNS6S-IdoA2S-GlcNS6S-IdoA2S-GlcNS6S-GlcA-GlcNS6S. It is also related to or classified as heparin decasaccharide , oligosaccharide sulfate , amino decasaccharide .
The molecule CCCCCCCCCCCCCCCCCCCC(O)CCCCC CCCCCCCCCCCCCCCCCCCC(O)CCCCC is A secondary fatty alcohol that is pentacosane substituted by a hydroxy group at position 6. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as pentacosanol .
The molecule CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O is A hydroxy monocarboxylic acid anion that is the conjugate base of rosuvastatin, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy monocarboxylic acid anion .