anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=C(CCCCCCC)CC(=O)CCC1=CC(OC)=C(O)C=C1 O=C(CCCCCCC)CC(=O)CCC1=CC(OC)=C(O)C=C1 is [8]-Gingerdione.  It is also related to or classified as phenols  . It is also related to or classified as monomethoxybenzene , beta-diketone .
The molecule C1=CC=CC(=C1)C(C2CCCCC2)(CN3CC[N+](CC3)(C)C)O.S(OC)(=O)(=O)[O-] C1=CC=CC(=C1)C(C2CCCCC2)(CN3CC[N+](CC3)(C)C)O.S(OC)(=O)(=O)[O-] is hexocyclium methyl sulfate. It is also related to or classified as phenylethanolamines , ethanolamine sulfate salt , piperazinium salt .
The molecule [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)C[C@@H](O)[C@@H](O)C2 [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)C[C@@H](O)[C@@H](O)C2 is A 3alpha-hydroxy steroid that is castasterone which is lacking the oxo substituent at position 6. Its functional parent is castasterone .  It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as brassinosteroid , 2alpha-hydroxy steroid , 22-hydroxy steroid , 23-hydroxy steroid .
The molecule C12=CC=CC=C1NC3=C2[C@]4([C@H]([C@]([C@@H](C[C@@]4(C3(C)C)[H])Cl)(C)C=C)[N+]#[C-])[H] C12=CC=CC=C1NC3=C2[C@]4([C@H]([C@]([C@@H](C[C@@]4(C3(C)C)[H])Cl)(C)C=C)[N+]#[C-])[H] is an organic heterotetracyclic compound that is 5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole which is substituted at positions 6, 6, and 9 by methyl groups, and at positions 8, 9, and 10 by chlorine, vinyl, and isocyano groups respectively (the 6aS,8R,9S,10R,10aS stereoisomer). It is an indole alkaloid produced by the Stigonematales genus of cyanobacteria. It has the role of bacterial metabolite .  It is also related to or classified as isocyanide  . It is also related to or classified as organochlorine compound  . It is also related to or classified as fischerindole alkaloid , organic heterotetracyclic compound , olefinic compound .
The molecule [O-]C(CC/C=C\C/C=C\C/C=C\C=C\C(C/C=C\CCCCC)OO)=O [O-]C(CC/C=C\C/C=C\C/C=C\C=C\C(C/C=C\CCCCC)OO)=O is A hydroperoxydocosapentaenoate that is the conjugate base of (4Z,7Z,10Z,12E,16Z)-14-hydroperoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (4Z,7Z,10Z,13Z,16Z)-docosapentaenoate . It is also related to or classified as hydroperoxydocosapentaenoate .
The molecule C1=CC(=C(C=C1O)C(=O)C[C@@H](C(=O)[O-])[NH3+])N is tha amino acid zwitterion formed from 5-hydroxy-L-kynurenine by transfer of a proton from the carboxy to the amino group; principal microspecies at pH 7.3. It is a tautomer of a 5-hydroxy-L-kynurenine.
The molecule CSCC[C@H](C(=O)O)NC(=O)N is an N-carbamoyl-D-alpha-amino acid derived from D-methionine. It is a N-carbamoyl-D-alpha-amino acid and a D-methionine derivative. It is a conjugate acid of a N-carbamoyl-D-methioninate. It is an enantiomer of a N-carbamoyl-L-methionine.
The molecule CC(C)=C[C@H]1[C@@H](C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C CC(C)=C[C@H]1[C@@H](C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C is (+)-cis-allethrin. Its functional parent is (+)-cis-chrysanthemic acid . It is also related to or classified as cis-allethrin .
The molecule S1(=O)(=O)[C@H](\C=C/2\[C@H]3[C@@]([C@H](CC3)[C@@H](CCCC(O)(C)C)C)(CCC2)C)C4=C(C1)[C@@H](O)C[C@H](O)C4 S1(=O)(=O)[C@H](\C=C/2\[C@H]3[C@@]([C@H](CC3)[C@@H](CCCC(O)(C)C)C)(CCC2)C)C4=C(C1)[C@@H](O)C[C@H](O)C4 is (6r)-1alpha,25-dihydroxyvitamin d3 6,19-sulfur dioxide adduct / (6r)-1alpha,25-dihydroxycholecalciferol 6,19-sulfur dioxide adduct. It is also related to or classified as organic molecular entity .
The molecule CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCN is a dipeptide comprising of beta-alanine and 3-methyl-L-histidine units. It has a role as an animal metabolite and a mouse metabolite. It is a beta-alanine derivative and a dipeptide. It is a tautomer of an anserine zwitterion.
The molecule [P] [P] is phosphorus atom. It has the role of macronutrient . It is also related to or classified as nonmetal atom  . It is also related to or classified as pnictogen  .
The molecule COc1ccc(C2COc3cc(O)cc(O)c3C2=O)c(OC)c1 COc1ccc(C2COc3cc(O)cc(O)c3C2=O)c(OC)c1 is A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and methoxy groups at positions 2' and 4' respectively. It has the role of plant metabolite . Its functional parent is flavanone . It is also related to or classified as dimethoxyflavanone , dihydroxyflavanone .
The molecule Oc1cc(cc2cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O Oc1cc(cc2cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O is A naphthalenesulfonic acid that is naphthalene-2,7-disulfonic acid substituted by hydroxy groups at positions 4 and 5. It has the role of indicator . It is also related to or classified as naphthalenediols , naphthalenesulfonic acid .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCCCCCCCCCCCCCC)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCCCCCCCCCCCCCC)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O is A long-chain fatty acyl-CoA resulting from the formal condensation of the carboxy group of hexadecanoic acid with the thiol group of coenzyme A. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . Its functional parent is coenzyme A . Its functional parent is hexadecanoic acid . It is a conjugate acid of palmitoyl-CoA(4-) . It is also related to or classified as saturated fatty acyl-CoA  . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as 3-substituted propionyl-CoA  . It is also related to or classified as palmitoyl bioconjugate  . It is also related to or classified as 11,12-saturated fatty acyl-CoA  .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[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)C3=CC=NC=C3)[C@@H](C)CO)C)CNC is N-[(3R,9R,10R)-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]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O[C@H]3[C@@H]([C@H](C(O[C@@H]3CO)O)O)O)O)O [C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O[C@H]3[C@@H]([C@H](C(O[C@@H]3CO)O)O)O)O)O is A maltotriose trisaccharide in which the glucose residue at the reducing end is in the pyranose form. It is also related to or classified as glucotriose , maltotriose trisaccharide .
The molecule OC(CCCCC/C=C\C/C=C\C=C\C(C/C=C\C/C=C\CC)OO)=O OC(CCCCC/C=C\C/C=C\C=C\C(C/C=C\C/C=C\CC)OO)=O is A hydroperoxydocosapentaenoic acid that is (7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid carrying a hydroperoxy substituent at position 14. Its functional parent is (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid . It is a conjugate acid of (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoate . It is also related to or classified as hydroperoxydocosapentaenoic acid .
The molecule O=C(O[C@H](CC(=O)O)C)C1=C(O)C=C(O)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C[C@@H](O)CO)C)C O=C(O[C@H](CC(=O)O)C)C1=C(O)C=C(O)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C[C@@H](O)CO)C)C is Talapolyester B. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C([O-])=O)[C@]1([H])[C@@]3(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C[C@@]21OC3=O [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C([O-])=O)[C@]1([H])[C@@]3(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C[C@@]21OC3=O is conjugate base of gibberellin A3 O-beta-D-glucoside arising from deprotonation of the carboxylic acid group. It is also related to or classified as gibberellin carboxylic acid anion .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA. It is a polyunsaturated fatty acyl-CoA(4-), an (11Z)-Delta(11)-fatty acyl-CoA(4-) and a very long-chain acyl-CoA(4-). It is a conjugate base of an (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA.
The molecule CN1CCC2=CC(=C(C=C2[C@]13CC4=C(C3=O)C5=C(C=C4)OCO5)O)OC is a benzylisoquinoline alkaloid isolated from Fumaria vaillantii and Fumaria parviflora. It has a role as a plant metabolite. It is a benzylisoquinoline alkaloid, an azaspiro compound, an oxacycle and a member of phenols.
The molecule COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 is A monomethoxyflavone that is scutellarein methylated at position 6. It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of anticonvulsant . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of plant metabolite . Its functional parent is scutellarein . It is also related to or classified as monomethoxyflavone  . It is also related to or classified as trihydroxyflavone .
The molecule CCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O)O is a N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 22 carbons and 0 double bonds and is 2-hydroxylated. It derives from a 15-methylhexadecaphytosphingosine.
The molecule OC(=O)C1CCCCC1(O)C1=CC=CC=C1 OC(=O)C1CCCCC1(O)C1=CC=CC=C1 is A member of the class of cyclohexanols that is cyclohexane substituted by carboxy, hydroxy and phenyl groups at positions 1, 2 and 2, respectively. It is also related to or classified as benzenes , cyclohexanols , monocarboxylic acid .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C is N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1C(C=2C=C(OC)C(OC)=C(O)C2)=CC(=O)C=3C1=CC(O)=CC3O O1C(C=2C=C(OC)C(OC)=C(O)C2)=CC(=O)C=3C1=CC(O)=CC3O is Apometzgerin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC(=CCC1=C(C=CC(=C1)C(=O)O)[O-])C is a member of the class of benzoates obtained by deprotonation of the carboxy group of any 4-hydroxy-3-polyprenylbenzoic acid; major species at pH 7.3. It is a conjugate base of a 4-hydroxy-3-polyprenylbenzoic acid.
The molecule ClC1CCCCC1 ClC1CCCCC1 is A chlorocyclohexane carrying a single chloro group. It is also related to or classified as chlorocyclohexane .
The molecule O[C@@H]1C\C(=C\C=C/2\[C@H]3[C@](CCC2)(C(=CC3)[C@@H](C/C=C/C(O)(C)C)C)C)\C(CC1)=C O[C@@H]1C\C(=C\C=C/2\[C@H]3[C@](CCC2)(C(=CC3)[C@@H](C/C=C/C(O)(C)C)C)C)\C(CC1)=C is 25-hydroxy-16,17,23,24-tetradehydrovitamin d3 / 25-hydroxy-16,17,23,24-tetradehydrocholecalciferol. It is also related to or classified as organic molecular entity .
The molecule C1=C(C=2C(C=3C(=CC(=CC3C(C2C=C1OC)=O)C)O)=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O C1=C(C=2C(C=3C(=CC(=CC3C(C2C=C1OC)=O)C)O)=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O is physcion 8-gentiobioside. Its functional parent is physcion . It is also related to or classified as gentiobioside  . It is also related to or classified as monohydroxyanthraquinone , disaccharide derivative .
The molecule [H][C@@]12CCC(=O)C=C1CC[C@@]1([H])[C@@]2([H])CC[C@]2(CC)[C@]1([H])CC[C@]2(O)C#C [H][C@@]12CCC(=O)C=C1CC[C@@]1([H])[C@@]2([H])CC[C@]2(CC)[C@]1([H])CC[C@]2(O)C#C is the (+)-enantiomer of norgestrel. It is also related to or classified as 17-ethynyl-17-hydroxy-18a-homoestr-4-en-3-one  . It is also related to or classified as 17alpha-hydroxy steroid .
The molecule Oc1cc(O)c2c(c1)oc(-c1ccccc1O)c(O)c2=O Oc1cc(O)c2c(c1)oc(-c1ccccc1O)c(O)c2=O is A tetrahydroxyflavone that is 7-hydroxyflavonol bearing two additional hydroxy substituents at positions 2' and 5. It is also related to or classified as tetrahydroxyflavone  . It is also related to or classified as 7-hydroxyflavonol  .
The molecule CC(C)CCCCCCC(C)C CC(C)CCCCCCC(C)C is an alkane that is decane which is substituted by a methyl group at positions 2 and 9. It has the role of volatile oil component . It has the role of plant metabolite . It has the role of fungal metabolite . It has the role of bacterial metabolite .  It is also related to or classified as alkane  . It is also related to or classified as volatile organic compound .
The molecule [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)[C@@]1(C)CCC(=O)C2 [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)[C@@]1(C)CCC(=O)C2 is 6-Deoxoteasterone in which the hydroxy group at position 3 has been oxidised to the corresponding ketone. Its functional parent is teasterone . It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as brassinosteroid , 22-hydroxy steroid , 23-hydroxy steroid .
The molecule [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O is A pentacyclic triterpenoid that is olean-12-ene substituted by a hydroxy group at position 3, an oxo group at position 11 and a carboxy group at position 30. It has the role of immunomodulator . It has the role of plant metabolite . It is a conjugate acid of glycyrrhetinate . It is also related to or classified as pentacyclic triterpenoid , hydroxy monocarboxylic acid , cyclic terpene ketone .
The molecule [C@H]1([C@H]([C@@H](O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)O [C@H]1([C@H]([C@@H](O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)O is A hexasaccharide derivative consisting of 1D-myo-inositol carrying at O-2 an alpha-D-mannosyl residue and at O-6 an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)-alpha-D-mannosyl-(1->6)-alpha-D-mannosyl pentasaccharide chain. Its functional parent is myo-inositol . It is also related to or classified as hexasaccharide derivative .
The molecule [O-]C(CCCCC/C=C\C/C=C\C=C\C(C/C=C\C/C=C\CC)OO)=O [O-]C(CCCCC/C=C\C/C=C\C=C\C(C/C=C\C/C=C\CC)OO)=O is A hydroperoxydocosapentaenoate that is the conjugate base of (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate . It is also related to or classified as hydroperoxydocosapentaenoate .
The molecule CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C is a phosphatidylcholine 24:0 in which the acyl groups specified at positions 1 and 2 are undecanoyl and tridecanoyl respectively. It derives from an undecanoic acid and a tridecanoic acid.
The molecule CC\\1=NC(S/C1=C/COP(=O)(O)O)C(=O)O is a 2,5-dihydro-1,3-thiazole having 2-carboxy-, 4-methyl- and 5-[(2-phosphonooxy)ethylidene]-substituents. It is a member of 1,3-thiazoles and a monoalkyl phosphate. It derives from a 4-methyl-5-(2-phosphonooxyethyl)thiazole. It is a conjugate acid of a 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3-).
The molecule [NH3+][C@H]1[C@H](O)[C@@H](CO)O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1O [NH3+][C@H]1[C@H](O)[C@@H](CO)O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1O is A nucleotide-sugar oxoanion that is the conjugate base of UDP-alpha-D-kanosamine, 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 OC(CCC=CCC=CCC=CCC=CCCCC(O)=O)CC OC(CCC=CCC=CCC=CCC=CCCCC(O)=O)CC is 18-Hydroxyarachidonic acid. It is also related to or classified as hydroxy fatty acid , polyunsaturated fatty acid .
The molecule C(=O)([C@@H](N)C)NCC(=O)N[C@H](C(=O)NCC(=O)O)C C(=O)([C@@H](N)C)NCC(=O)N[C@H](C(=O)NCC(=O)O)C is A tetrapeptide composed of L-alanine, glycine, L-alanine, and glycine residues joined in sequence by peptide linkages. Its functional parent is glycine . Its functional parent is L-alanine . It is also related to or classified as tetrapeptide  .
The molecule C1=CC(=CC=C1C(=O)[O-])C(=O)[O-] is a phthalate that is the dianion obtained by the deprotonation of the carboxy groups of terephthalic acid. It is a conjugate base of a terephthalate(1-).
The molecule C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C is an acyl-CoA(4-) resulting from the removal of all four protons from the phosphate and diphosphate groups of (25S)-3-oxocholest-4-en-26-oyl-CoA; major species at pH 7.3. It is a steroidal acyl-CoA(4-) and a (2S)-2-methylacyl-CoA(4-). It is a conjugate base of a (25S)-3-oxocholest-4-en-26-oyl-CoA.
The molecule C1=C(C(=CC(=O)C1=O)NCCCC[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N is an L-lysine derivative in which one of the amino hydrogens at N(6)-amino is substituted by a 6-[(2S)-2-amino-2-carboxyethyl]-3,4-dioxocyclohexa-1,5-dien-1-yl group. It is a L-lysine derivative, a L-tyrosine derivative, a non-proteinogenic L-alpha-amino acid and a member of 1,2-benzoquinones.
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@H](CO)O)[C@H]([C@@H](CO)O)O)O)O)O)O is a glycosyl alditol resulting from the formal condensation of beta-D-galactopyranose with the hydroxy group at position 3 of galactitol. It is a beta-D-galactoside and a glycosyl alditol. It derives from a galactitol.
The molecule O=C1NC(=O)CCC1CC(O)CC(=O)/C(=C/CC)/C O=C1NC(=O)CCC1CC(O)CC(=O)/C(=C/CC)/C is 3-[(5E)-5-methyl-4-oxo-2-hydroxy-5-octenyl]glutarimide. It is also related to or classified as enone  . It is also related to or classified as beta-hydroxy ketone .
The molecule [C@@H]1(OC([C@H]([C@@H]1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]3O)O)CO[C@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@H]5O[C@@H]([C@H]([C@@H]5O)O)CO[C@H]6O[C@@H]([C@H]([C@@H]6O)O)CO[C@H]7O[C@@H]([C@H]([C@@H]7O)O)CO[C@H]8O[C@@H]([C@H]([C@@H]8O[C@@H]9O[C@@H]([C@H]([C@@H]9O)O)CO)O)CO)CO[C@H]%10O[C@@H]([C@H]([C@@H]%10O[C@@H]%11O[C@@H]([C@H]([C@@H]%11O)O)CO)O)CO [C@@H]1(OC([C@H]([C@@H]1O)O)O)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O[C@H]3O[C@@H]([C@H]([C@@H]3O)O)CO[C@H]4O[C@@H]([C@H]([C@@H]4O)O)CO[C@H]5O[C@@H]([C@H]([C@@H]5O)O)CO[C@H]6O[C@@H]([C@H]([C@@H]6O)O)CO[C@H]7O[C@@H]([C@H]([C@@H]7O)O)CO[C@H]8O[C@@H]([C@H]([C@@H]8O[C@@H]9O[C@@H]([C@H]([C@@H]9O)O)CO)O)CO)CO[C@H]%10O[C@@H]([C@H]([C@@H]%10O[C@@H]%11O[C@@H]([C@H]([C@@H]%11O)O)CO)O)CO is A branched oligosaccharide comprising eleven D-arabinofuranose units, in an assembly consisting of two of the arabinose residues linked alpha(1->5), with beta-arabinosyl-(1->2)-alpha-arabinosyl and beta-arabinosyl-(1->2)-alpha-arabinosyl-(1->5)-alpha-arabinosyl-(1->5)-alpha-arabinosyl-(1->5)-alpha-arabinosyl-(1->5)-alpha-arabinosyl-(1->5)-alpha-arabinosyl units linked to respectively the 5- and 3-positions of the arabinose residue distal from the reducing-end residue. It is also related to or classified as oligosaccharide  .
The molecule OC(CCCCC/C=C\C/C=C\C/C=C\C=C\C(C/C=C\CC)OO)=O OC(CCCCC/C=C\C/C=C\C/C=C\C=C\C(C/C=C\CC)OO)=O is A hydroperoxydocosapentaenoic acid that is (7Z,10Z,13Z,15E,19Z)-docosapentaenoic acid carrying a hydroperoxy substituent at position 17. An intermediate of specialised proresolving mediators. Its functional parent is (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid . It is a conjugate acid of (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoate . It is also related to or classified as hydroperoxydocosapentaenoic acid .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC is a 1,2-diacyl-sn-glycerol where octanoyl and oleoyl form the 1- and 2-acyl groups respectively. It is a 1,2-diacyl-sn-glycerol and an octanoate ester. It derives from an oleic acid.
The molecule CC[C@H](C)[C@@H](C(=O)NCC(=O)O)N is a dipeptide formed from L-isoleucine and glycine residues. It has a role as a metabolite. It is a tautomer of an Ile-Gly zwitterion.
The molecule CC1CCc2c(N3CCC(O)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O CC1CCc2c(N3CCC(O)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O is nadifloxacin. It has the role of antibacterial drug . It is also related to or classified as pyridoquinoline , heteroarylpiperidine , hydroxypiperidine , quinolone antibiotic .
The molecule O([C@H]1[C@H](O)C(O[C@@H](OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)C1O)COC(=O)C)[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO[C@@H]6OC([C@H](OC(=O)C)C(O)[C@@H]6O)C O([C@H]1[C@H](O)C(O[C@@H](OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)C1O)COC(=O)C)[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO[C@@H]6OC([C@H](OC(=O)C)C(O)[C@@H]6O)C is Acacetin 7-(4''''-Acetylrhamnosyl)-(1->6)-glucosyl-(1->3)-(6''-acetylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O is A member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 6 and a (2-oxo-2H-chromen-7-yl)oxy group at position 3. It has the role of antiviral agent . It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is coumarin . It is also related to or classified as aromatic ether , hydroxycoumarin .
The molecule CC(\C=C\C=C(C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C CC(\C=C\C=C(C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C is an epoxycarotenol derivative of lutein. It has the role of plant metabolite . Its functional parent is lutein . It is also related to or classified as epoxycarotenol .
The molecule CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)O)O)C(=O)O is a 3-hydroxy fatty acid produced by Mycobacterium tuberculosis. It has a role as a bacterial metabolite. It is a mycolic acid, a 3-hydroxy fatty acid and an ultra-long-chain fatty acid. It is a conjugate acid of a dihydroxy mycolate.
The molecule CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O is A branched, long-chain saturated fatty acid composed of pentadecanoic acid having methyl substituents at the 2-, 6-, 10- and 14-positions. It has the role of human metabolite . It is a conjugate acid of pristanate . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .
The molecule O=C/1NCC(=O)N\C1=C/C=2N=CNC2C(C=C)(C)C O=C/1NCC(=O)N\C1=C/C=2N=CNC2C(C=C)(C)C is Gartryprostatin C. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .