anonymous041/ChEBI-Augmented huggingface dataset:
The molecule S1SS[C@]23N([C@@H]4[C@@H](OC(=O)C)C=CC=C4C2)C([C@@](S1)(N(C)C3=O)CO)=O S1SS[C@]23N([C@@H]4[C@@H](OC(=O)C)C=CC=C4C2)C([C@@](S1)(N(C)C3=O)CO)=O is Acetylgliotoxin G. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule c1ccc2c[nH]cc2c1 c1ccc2c[nH]cc2c1 is 2H-isoindole. It is also related to or classified as isoindole  . It is also related to or classified as polycyclic heteroarene .
The molecule O[C@@H]([C@H]([C@]1([C@@H]([C@H](C[C@@](O1)(C(=O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(C)=O)CO)O)O)O)NC(C)=O)[H])O)CO O[C@@H]([C@H]([C@]1([C@@H]([C@H](C[C@@](O1)(C(=O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(C)=O)CO)O)O)O)NC(C)=O)[H])O)CO is an amino trisaccharide consisting of N-acetyl-beta-D-galactosaminyl and 5-glycoloyl-alpha-neuraminyl residues linked respectively (1->4) and (2->3) to beta-D-galactose. It has the role of epitope . It is also related to or classified as amino trisaccharide .
The molecule O=C(OC)CCCCCCCCCC(=CCCCCCC)C O=C(OC)CCCCCCCCCC(=CCCCCCC)C is Methyl 11-metyloctadec-11-enoate. It is also related to or classified as fatty acid methyl ester  .
The molecule OC(=O)CCCCCCC#CCC#CCC#CCCCCCCC OC(=O)CCCCCCC#CCC#CCC#CCCCCCCC is 8,11,14-Docosatriynoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule [H]C(CCCCCCCC)=C([H])CC([H])=C([H])CC([H])=C([H])CCCC(O)=O [H]C(CCCCCCCC)=C([H])CC([H])=C([H])CC([H])=C([H])CCCC(O)=O is an icosatrienoic acid with three bonds at positions 5, 8 and 11. It is also related to or classified as fatty acid 20:3  .
The molecule C=1(OS(O)(=O)=O)C=CC(=C(C1)OC)NC(C)=O C=1(OS(O)(=O)=O)C=CC(=C(C1)OC)NC(C)=O is A member of the class of acetamides that is paracetamol sulfate substituted by a methoxy group at position 3. It has the role of drug metabolite . Its functional parent is paracetamol sulfate . It is a conjugate acid of 2-methoxyacetaminophen sulfate(1-) . It is also related to or classified as acetamides , monomethoxybenzene , aryl sulfate .
The molecule O=C1C2=C(O)C(=CC=C2C(=O)C=3C1=CC4=C(O)C=C(C=C4C3O)C)C5OC(C(O)C(C5)OC6OC(C(OC7OC(C(O)C(C7)O)C)CC6)C)C O=C1C2=C(O)C(=CC=C2C(=O)C=3C1=CC4=C(O)C=C(C=C4C3O)C)C5OC(C(O)C(C5)OC6OC(C(OC7OC(C(O)C(C7)O)C)CC6)C)C is Quanolirone I. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule CN(C=Nc1ccc(C)cc1C)C=Nc1ccc(C)cc1C CN(C=Nc1ccc(C)cc1C)C=Nc1ccc(C)cc1C is A tertiary amino compound that is 1,3,5-triazapenta-1,4-diene substituted by a methyl group at position 3 and 2,4-dimethylphenyl groups at positions 1 and 5. It has the role of acaricide . It has the role of insecticide . It has the role of xenobiotic . It has the role of environmental contaminant .  It is also related to or classified as formamidines  . It is also related to or classified as tertiary amino compound .
The molecule OC(=O)CC/C=C/C\C=C\C\C=C\C\C=C\C\C=C\CCCCC OC(=O)CC/C=C/C\C=C\C\C=C\C\C=C\C\C=C\CCCCC is 4,7,10,13,16-Docosapentaenoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule C=1(OS([O-])(=O)=O)C=CC(=C(C1)OC)NC(C)=O C=1(OS([O-])(=O)=O)C=CC(=C(C1)OC)NC(C)=O is A phenyl sulfate oxoanion that is the conjugate base of 2-methoxyacetaminophen sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It has the role of drug metabolite . It is also related to or classified as phenyl sulfate oxoanion  .
The molecule ClC1=C(OC)C(C2=C3C(=O)C=4C(=O)C5=C(O)C=C(O)C=C5C(C4C(C3=CC(=C2)OC)=O)(C)C)=C(C)C=C1O ClC1=C(OC)C(C2=C3C(=O)C=4C(=O)C5=C(O)C=C(O)C=C5C(C4C(C3=CC(=C2)OC)=O)(C)C)=C(C)C=C1O is Naphthacemycin A6. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule O=C(NC=CC(=N)N)C=1NC=C(C1)NC(=O)[C@H]2N=C(N)[C@@H](C2)O O=C(NC=CC(=N)N)C=1NC=C(C1)NC(=O)[C@H]2N=C(N)[C@@H](C2)O is TAN-868 A. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 is A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a  cardiovascular drug used for the treatment of cardiac dysrhythmias. It has the role of cardiovascular drug . It is also related to or classified as organoiodine compound  . It is also related to or classified as 1-benzofurans , tertiary amino compound , aromatic ketone .
The molecule [H][C@@]12CC[C@]3([H])[C@]([H])(CC(=O)[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O [H][C@@]12CC[C@]3([H])[C@]([H])(CC(=O)[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O is A steroid saponin that consists of (25R)-5alpha-spirostan-3beta-ol substituted by an oxo group at position 12 and a  beta-D-galactopyranosyl moiety at position 3 via a glycosidic linkage. It is also related to or classified as oxaspiro compound , steroid saponin , monosaccharide derivative .
The molecule C(C(C(O)=O)O)(CCCSC)C(=O)O C(C(C(O)=O)O)(CCCSC)C(=O)O is A 3-(omega-methylthio)alkylmalic acid in which the 3-alkyl group is specified as 3-(methylthio)propyl. It is a conjugate acid of 3-(3-methylthio)propylmalate(2-) . It is also related to or classified as 3-(omega-methylthio)alkylmalic acid .
The molecule O=C1C2=C(O)C(OC)=C(O)C=3C2=C(C(O)=C(O)C3C)C([C@@]1(O)C(C(=O)C)(C)C)=O O=C1C2=C(O)C(OC)=C(O)C=3C2=C(C(O)=C(O)C3C)C([C@@]1(O)C(C(=O)C)(C)C)=O is Sculezonone B. It is also related to or classified as ortho- and peri-fused tricyclic hydrocarbon .
The molecule [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@@](C)(O)C1CCC(C)(C)O1 [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@@](C)(O)C1CCC(C)(C)O1 is shidasterone.  It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as phytoecdysteroid , 20-hydroxy steroid , 2beta-hydroxy steroid , 14alpha-hydroxy steroid , 6-oxo steroid .
The molecule C(C(C([O-])=O)O)(CCCSC)C(=O)[O-] C(C(C([O-])=O)O)(CCCSC)C(=O)[O-] is A 3-(omega-methylthio)alkylmalate(2-) obtained by deprotonation of both carboxy groups of 3-(3-methylthio)propylmalic acid; major species at pH 7.3. It is also related to or classified as 3-(omega-methylthio)alkylmalate(2-) .
The molecule ClC1=C(O)C(=O)C=2C=C3OC(C)=CC(C3=C(C2C1=O)O)=O ClC1=C(O)C(=O)C=2C=C3OC(C)=CC(C3=C(C2C1=O)O)=O is 7-Chlorocanarione. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1C=2C(=C(OC)C(OC)=C(OC)C2)C(=O)C=C1C3=CC(OC)=C(OCC=C(C)C)C(OC)=C3 O1C=2C(=C(OC)C(OC)=C(OC)C2)C(=O)C=C1C3=CC(OC)=C(OCC=C(C)C)C(OC)=C3 is 2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O=O O=O is A reactive oxygen species that is the lowest excited state of the dioxygen molecule. It is also related to or classified as dioxygen  . It is also related to or classified as reactive oxygen species .
The molecule O(C1[C@@H](O)[C@H](O)C(O[C@]1(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(O[C@@H]5OC([C@@H](O)C(O)C5O)CO)C=C4)[H])CO)[C@@H]6OC([C@H](O)[C@H](O)C6O)C O(C1[C@@H](O)[C@H](O)C(O[C@]1(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(O[C@@H]5OC([C@@H](O)C(O)C5O)CO)C=C4)[H])CO)[C@@H]6OC([C@H](O)[C@H](O)C6O)C is Vitexin 4'-O-glucoside-2''-O-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OC1=CC=C2C(OC=C(C2=O)C2=CC=C(O)C(O)=C2)=C1 OC1=CC=C2C(OC=C(C2=O)C2=CC=C(O)C(O)=C2)=C1 is A 7-hydroxyisoflavone that is daidzein  substituted by a hydroxy group at position 3'. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor . Its functional parent is daidzein . It is also related to or classified as 7-hydroxyisoflavones  .
The molecule C(=C/C(O)=O)(\CCCSC)/C(=O)O C(=C/C(O)=O)(\CCCSC)/C(=O)O is A 2-(omega-methylthio)alkylmaleic acid in which the 2-alkyl group is specified as 3-(methylthio)propyl. It is a conjugate acid of 2-(2-methylthio)propylmaleate(2-) . It is also related to or classified as 2-(omega-methylthio)alkylmaleic acid .
The molecule ClC1=C(O)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H]([C@H]([C@H]4[C@]([C@H](CC(N(C1=C2)[C@H]5O[C@H]([C@H](OC(=O)N)[C@H]([C@@H]5O)OC)COC(=O)C)=O)OC(=O)NC)(O4)C)C)C3)=O)C ClC1=C(O)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H]([C@H]([C@H]4[C@]([C@H](CC(N(C1=C2)[C@H]5O[C@H]([C@H](OC(=O)N)[C@H]([C@@H]5O)OC)COC(=O)C)=O)OC(=O)NC)(O4)C)C)C3)=O)C is Ansacarbamitocin A. It is also related to or classified as O-acyl carbohydrate , fatty acid derivative .
The molecule [O-][N+](=O)N1CN(CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O [O-][N+](=O)N1CN(CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O is A tetrazocane that is 1,3,5,7-tetrazocane in which the hydrogen atom attached to each of the nitrogens is replaced by a nitro group. It has the role of explosive . It is also related to or classified as N-nitro compound , tetrazocane .
The molecule C(=C/C([O-])=O)(\CCCSC)/C(=O)[O-] C(=C/C([O-])=O)(\CCCSC)/C(=O)[O-] is A 2-(omega-methylthio)alkylmaleate(2-) obtained by deprotonation of both carboxy groups of 2-(3-methylthiopropyl)maleic acid; major species at pH 7.3. It is also related to or classified as 2-(omega-methylthio)alkylmaleate(2-) .
The molecule O=C1O[C@@H]2C(C)(C)[C@@H]3[C@]1([C@@H]4C=C([C@]5(C(O)=C(C([C@]5([C@]4(CC3)C)C(=O)OC)=O)C)C)C)CC2 O=C1O[C@@H]2C(C)(C)[C@@H]3[C@]1([C@@H]4C=C([C@]5(C(O)=C(C([C@]5([C@]4(CC3)C)C(=O)OC)=O)C)C)C)CC2 is Atlantinone A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule Cl.CNCC[C@@H](Oc1ccccc1C)c1ccccc1 Cl.CNCC[C@@H](Oc1ccccc1C)c1ccccc1 is the hydrochloride salt of atomoxetine. It has the role of antidepressant . It has the role of adrenergic uptake inhibitor . It is also related to or classified as hydrochloride .
The molecule Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 is A biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-6 and C-8 of the two chromene rings. It has the role of antiviral agent . It has the role of metabolite . It has the role of antineoplastic agent . It has the role of hepatoprotective agent . It is also related to or classified as hydroxyflavone , biflavonoid , biaryl .
The molecule [H][H] [H][H] is an elemental molecule consisting of two hydrogens joined by a single bond. It has the role of electron donor . It has the role of antioxidant . It has the role of fuel . It has the role of human metabolite . It has the role of food packaging gas . It is also related to or classified as gas molecular entity , elemental molecule , elemental hydrogen .
The molecule [H][C@@]12C[C@H](O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@]([H])([C@@](C)(O)C(=O)\C=C\C(C)(C)O)[C@@]3(C)CC(=O)[C@@]21C [H][C@@]12C[C@H](O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@]([H])([C@@](C)(O)C(=O)\C=C\C(C)(C)O)[C@@]3(C)CC(=O)[C@@]21C is A cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23. It is also related to or classified as tertiary alpha-hydroxy ketone  .  It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as cucurbitacin .
The molecule O=C(O[C@H]1C2=C(C=3C=4C(C(O)=C5C3C[C@H](C)OC5)=C(OC)C=C(C4)O[C@@H]6O[C@@H]([C@@H](OC)[C@@H]([C@H]6O)O)CO)C=7C(=C(OC)C=C(C7)OC)C(=C2CO[C@H]1C)O)C O=C(O[C@H]1C2=C(C=3C=4C(C(O)=C5C3C[C@H](C)OC5)=C(OC)C=C(C4)O[C@@H]6O[C@@H]([C@@H](OC)[C@@H]([C@H]6O)O)CO)C=7C(=C(OC)C=C(C7)OC)C(=C2CO[C@H]1C)O)C is [(3S,4S)-5-[(3S)-7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule [H][Bi]([H])([H])([H])[H] [H][Bi]([H])([H])([H])[H] is bismuthorane. It is a conjugate acid of bismuthanuide . It is also related to or classified as mononuclear parent hydride , bismuth hydride .
The molecule Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)c(=O)n1 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)c(=O)n1 is A cytidine 3'-phosphate compound with a monophosphate group at the 3'-position. It has the role of metabolite . It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of 3'-CMP(2-) . It is also related to or classified as cytidine 3'-phosphate , pyrimidine ribonucleoside 3'-monophosphate .
The molecule O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)C(CC4=CC=CC=C4)N(C3=O)C)C)=CC=C1 O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)C(CC4=CC=CC=C4)N(C3=O)C)C)=CC=C1 is 14,20-Dideoxy-thaxtomin A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(=C/C(O)=O)(\CCSC)/C(=O)O C(=C/C(O)=O)(\CCSC)/C(=O)O is A 2-(omega-methylthio)alkylmaleic acid in which the 2-alkyl group is specified as 2-methylthioethyl. It is a conjugate acid of 2-(2-methylthio)ethylmaleate(2-) . It is also related to or classified as 2-(omega-methylthio)alkylmaleic acid .
The molecule O=C1C=2C(=O)C3=C(O)C=C(O)C=C3C(C2C(=O)C4=C1C(C5=C(OC)C=C(OC)C=C5C)=CC(=C4)OC)(C)C O=C1C=2C(=O)C3=C(O)C=C(O)C=C3C(C2C(=O)C4=C1C(C5=C(OC)C=C(OC)C=C5C)=CC(=C4)OC)(C)C is Naphthacemycin A9. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule O=C1OC2=C3C(C(=O)OC4=C3C1=C(O)C=5C4=C(OC6OC(C(O)C(C6OC7OC(C(O)C(C7O)O)C)O)C)C=CC5)=C(C)C=C2 O=C1OC2=C3C(C(=O)OC4=C3C1=C(O)C=5C4=C(OC6OC(C(O)C(C6OC7OC(C(O)C(C7O)O)C)O)C)C=CC5)=C(C)C=C2 is 3''-Demethylchartreusin. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule O[Si](O)(O)O O[Si](O)(O)O is silicic acid. It is a conjugate acid of trihydrogensilicate(1-) . It is also related to or classified as silicon oxoacid .
The molecule c1ccc2cc3cc4cc5cc6cc7cc8cc9ccccc9cc8cc7cc6cc5cc4cc3cc2c1 c1ccc2cc3cc4cc5cc6cc7cc8cc9ccccc9cc8cc7cc6cc5cc4cc3cc2c1 is an acene that consists of nine ortho-fused benzene rings in a rectilinear arrangement. It is also related to or classified as acene  . It is also related to or classified as nonacenes .
The molecule C(=C/C([O-])=O)(\CCSC)/C(=O)[O-] C(=C/C([O-])=O)(\CCSC)/C(=O)[O-] is A 2-(omega-methylthio)alkylmaleate(2-) obtained by deprotonation of both carboxy groups of 2-(2-methylthio)ethylmaleic acid; major species at pH 7.3. It is also related to or classified as 2-(omega-methylthio)alkylmaleate(2-) .
The molecule S1[C@]23N(C(=O)[C@]45S[C@H]6CC([C@H]([C@@H](N4C2=O)[C@@H]6O)C5)=O)[C@@H]7[C@H](C3)C([C@H]1[C@@H](O)[C@H]7O)=O S1[C@]23N(C(=O)[C@]45S[C@H]6CC([C@H]([C@@H](N4C2=O)[C@@H]6O)C5)=O)[C@@H]7[C@H](C3)C([C@H]1[C@@H](O)[C@H]7O)=O is Epicoccin E. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1[C@@H]([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)COC(=O)C5=CC(O)=C(O)C(O)=C5 O1[C@@H]([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)COC(=O)C5=CC(O)=C(O)C(O)=C5 is Kaempferol 3-(6''-galloylgalactoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C21F FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C21F is perfluorophenanthrene. It has the role of radioopaque medium . It is also related to or classified as fluorocarbon  .
The molecule CCOC(=O)C1=C(COCCN)NC(C)=C(C1c1ccccc1Cl)C(=O)OC CCOC(=O)C1=C(COCCN)NC(C)=C(C1c1ccccc1Cl)C(=O)OC is A fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina. It has the role of vasodilator agent . It has the role of antihypertensive agent . It has the role of calcium channel blocker . It is also related to or classified as ethyl ester  . It is also related to or classified as methyl ester  . It is also related to or classified as dihydropyridine  . It is also related to or classified as primary amino compound , monochlorobenzenes .
The molecule C(C(C(O)=O)O)(CCSC)C(=O)O C(C(C(O)=O)O)(CCSC)C(=O)O is A 3-(omega-methylthio)alkylmalic acid in which the 3-alkyl group is specified as 2-methylthioethyl. It is a conjugate acid of 3-(2-methylthioethyl)malate(2-) . It is also related to or classified as 3-(omega-methylthio)alkylmalic acid .
The molecule O=C(NC1=C(O)C=C(CO)C(=C1)O)C O=C(NC1=C(O)C=C(CO)C(=C1)O)C is 2,5-Dihydroxy-4-hydroxymethyl-acetanilide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule C(C(C([O-])=O)O)(CCSC)C(=O)[O-] C(C(C([O-])=O)O)(CCSC)C(=O)[O-] is A 3-(omega-methylthio)alkylmalate(2-) obtained by deprotonation of both carboxy groups of 3-(2-methylthioethyl)malic acid; major species at pH 7.3. It is also related to or classified as 3-(omega-methylthio)alkylmalate(2-) .
The molecule FC(F)(F)C(F)(F)C(F)(F)C(=O)OC(=O)C(F)(F)C(F)(F)C(F)(F)F FC(F)(F)C(F)(F)C(F)(F)C(=O)OC(=O)C(F)(F)C(F)(F)C(F)(F)F is an acyclic carboxylic anhydride that is perfluorinated butyric anhydride. It is used as a derivatising reagent for gas chromatographic analyses. It has the role of chromatographic reagent . Its functional parent is butyric acid .  It is also related to or classified as organofluorine compound  . It is also related to or classified as acyclic carboxylic anhydride .
The molecule S1C(=N[C@](C1)(C(=O)O)C)C[C@H](O)[C@H]2N[C@@H]([C@@H]3N=C(C4=C(O)C=CC=C4)SC3)SC2 S1C(=N[C@](C1)(C(=O)O)C)C[C@H](O)[C@H]2N[C@@H]([C@@H]3N=C(C4=C(O)C=CC=C4)SC3)SC2 is Piscibactin. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C([C@@H](O)[C@H](O)C(OC(=O)/C=C/C2=CC=CC=C2)[C@@H]1OC=3C(C=4OC5=C(C(=O)C4)C(O)=CC(OC)=C5OC)=CC=CC3)CO O1C([C@@H](O)[C@H](O)C(OC(=O)/C=C/C2=CC=CC=C2)[C@@H]1OC=3C(C=4OC5=C(C(=O)C4)C(O)=CC(OC)=C5OC)=CC=CC3)CO is Skullcapflavone I 2'-(2''-E-cinnamoylglucoside). It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule c1ccc2cc3cc4cc5cc6cc7cc8ccccc8cc7cc6cc5cc4cc3cc2c1 c1ccc2cc3cc4cc5cc6cc7cc8ccccc8cc7cc6cc5cc4cc3cc2c1 is octacene. It is also related to or classified as acene  . It is also related to or classified as octacenes .
The molecule NC(=[NH2+])NCCC[C@H]([NH3+])C([O-])=O NC(=[NH2+])NCCC[C@H]([NH3+])C([O-])=O is the L-enantiomer of argininium(1+). It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is a conjugate acid of L-arginine . It is also related to or classified as argininium(1+)  .
The molecule S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C(C(O)C(C(=O)/C(=C/C)/C)C)C)C=COC4)[C@@H]5[C@@H](O)C=CC=C5[C@H]2O)C S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C(C(O)C(C(=O)/C(=C/C)/C)C)C)C=COC4)[C@@H]5[C@@H](O)C=CC=C5[C@H]2O)C is [(1R,4S,5S,10R,11R,14S,15S)-5,10-dihydroxy-1,11-bis(methylsulanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-6,8,16,19-tetraen-15-yl] (E)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule S1C[C@@](N=C1[C@@]2(N=C(SC2)C=3N=C(SC3)C[C@H](OC)[C@@H]([C@H](O)[C@H]([C@@H](O)[C@@H](CCC)C)C)C)C)(C(=O)N[C@@H]([C@H](CC)C)[C@@H](O)[C@@H](C)C(OCC)=O)C S1C[C@@](N=C1[C@@]2(N=C(SC2)C=3N=C(SC3)C[C@H](OC)[C@@H]([C@H](O)[C@H]([C@@H](O)[C@@H](CCC)C)C)C)C)(C(=O)N[C@@H]([C@H](CC)C)[C@@H](O)[C@@H](C)C(OCC)=O)C is Hoiamide C. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C3O[C@@H]([C@H](OC(=O)C)CC3=C(OC)C=C2O)C4=CC(O)=C(O)C=C4)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C3O[C@@H]([C@H](OC(=O)C)CC3=C(OC)C=C2O)C4=CC(O)=C(O)C=C4)CO is Barbatoflavan. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OC[C@H]1O[C@@H](SC(Cc2cn(c3ccccc23)S(O)(=O)=O)=NOS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](SC(Cc2cn(c3ccccc23)S(O)(=O)=O)=NOS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O is an indolylmethylglucosinolic acid that is glucobrassicin bearing an additional sulfo group on the indole nitrogen. Its functional parent is glucobrassicin . It is a conjugate acid of sulfoglucobrassicin(1-) . It is also related to or classified as indolyl carbohydrate , indolylmethylglucosinolic acid .
The molecule Cc1c(cc(N)cc1[N+]([O-])=O)[N+]([O-])=O Cc1c(cc(N)cc1[N+]([O-])=O)[N+]([O-])=O is an amino-nitrotoluene that is 2,6-dinitrotoluene substituted at position 4 by an amino group. It has the role of explosive . It has the role of marine metabolite . It has the role of fungal xenobiotic metabolite . It is also related to or classified as amino-nitrotoluene .
The molecule OC(=O)CCCCCCCCCCC#CC#CCCCCCCCCCC OC(=O)CCCCCCCCCCC#CC#CCCCCCCCCCC is 12,14-Pentacosadiynoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule [Mg] [Mg] is magnesium atom. It has the role of macronutrient . It is also related to or classified as alkaline earth metal atom .
The molecule O(P(OP(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C)O[C@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)O)CO)(O)=O)(O)=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C O(P(OP(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C)O[C@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)O)CO)(O)=O)(O)=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C is A polyprenyl phospho oligosaccharide that consists of an alpha-D-Gal-(1->3)-alpha-D-GlcNAc moiety linked via a diphospho group to ditrans,octacis-undecaprenol. It is a conjugate acid of alpha-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol(2-) . It is also related to or classified as polyprenyl phospho oligosaccharide .
The molecule Nc1[nH]cnc1C(O)=O Nc1[nH]cnc1C(O)=O is an imidazole-4-carboxylic acid compound having an amino substituent at the 5-position. It is also related to or classified as aminoimidazole , imidazole-4-carboxylic acid .
The molecule OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F is A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines. It has the role of antilipemic drug . It has the role of persistent organic pollutant . Its functional parent is octane-1-sulfonic acid . It is also related to or classified as perfluoroalkanesulfonic acid .