anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COc1cc(C)c(O)c(C\C=C(/C)CC(=O)\C=C(\C)CCCC(C)C(=O)C(O)C=C(C)C)c1 COc1cc(C)c(O)c(C\C=C(/C)CC(=O)\C=C(\C)CCCC(C)C(=O)C(O)C=C(C)C)c1 is A  meroterpenoid that is hexadeca-2,6,14-triene-5,12-dione substituted by a hydroxy group at position 13, a 2-hydroxy-5-methoxy-3-methylphenyl group at position 1 and methyl groups at positions 3, 7, 11 and 15. Isolated from Halidrys siliquosa, it exhibits antibacterial and antifouling activities. It has the role of metabolite . It has the role of antibacterial agent . It has the role of antifouling biocide . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as phenols  .  It is also related to or classified as enone  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as aromatic ether , meroterpenoid .
The molecule CCCCOC(=O)CSCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F CCCCOC(=O)CSCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F is 2-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid butyl ester. It is also related to or classified as organofluorine compound  .
The molecule OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](CO)O[C@@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](CO)O[C@@H](O[C@H]8[C@H](O)[C@@H](CO)O[C@@H](O[C@H]9[C@H](O)[C@@H](CO)O[C@@H](O[C@H]%10[C@H](O)[C@@H](CO)O[C@@H](O[C@H]%11[C@H](O)[C@@H](CO)O[C@@H](O[C@H]%12[C@H](O)[C@@H](CO)O[C@@H](O[C@H]%13[C@H](O)[C@@H](CO)O[C@@H](O[C@H]%14[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]%15[C@@H](O)[C@H](O)O[C@H](CO)[C@H]%15O)[C@@H]%14O)[C@@H]%13O)[C@@H]%12O)[C@@H]%11O)[C@@H]%10O)[C@@H]9O)[C@@H]8O)[C@@H]7O)[C@@H]6O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](CO)O[C@@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](CO)O[C@@H](O[C@H]8[C@H](O)[C@@H](CO)O[C@@H](O[C@H]9[C@H](O)[C@@H](CO)O[C@@H](O[C@H]%10[C@H](O)[C@@H](CO)O[C@@H](O[C@H]%11[C@H](O)[C@@H](CO)O[C@@H](O[C@H]%12[C@H](O)[C@@H](CO)O[C@@H](O[C@H]%13[C@H](O)[C@@H](CO)O[C@@H](O[C@H]%14[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]%15[C@@H](O)[C@H](O)O[C@H](CO)[C@H]%15O)[C@@H]%14O)[C@@H]%13O)[C@@H]%12O)[C@@H]%11O)[C@@H]%10O)[C@@H]9O)[C@@H]8O)[C@@H]7O)[C@@H]6O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A (1->3)-beta-D-glucan consisting of 15 glucosyl residues linked in a linear sequence. It is also related to or classified as (1->3)-beta-D-glucan .
The molecule S(NC=1N=CC(=CN1)OCCOC)(=O)(=O)C2=CC=CC=C2 S(NC=1N=CC(=CN1)OCCOC)(=O)(=O)C2=CC=CC=C2 is A sulfonamide that is N-(pyrimidin-2-yl)benzenesulfonamide which is substituted at position 5 of the pyrimidine ring by a 2-methoxyethoxy group. It is a hypoglycemic drug used for the treatment of diabetes mellitus. It has the role of hypoglycemic agent . It is a conjugate acid of glymidine(1-) . It is also related to or classified as sulfonamide  . It is also related to or classified as pyrimidines , diether .
The molecule C/C=C(\\C)/[C@@H]1C=C[C@@H]2C[C@@H](C[C@@H]([C@H]2[C@@H]1/C(=C/3\\C(=O)[C@H](NC3=O)C[C@@](C)(C(=O)O)O)/O)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 a role as a Chaetomium metabolite and a chemokine receptor 5 antagonist. It is a carbobicyclic compound, an enol, a monocarboxylic acid, a member of pyrrolidin-2-ones and a member of octahydronaphthalenes.
The molecule [O-]C(=O)C(F)(F)F.COc1cc2CC[N+](C)(C)C(Cc3ccc(O)c(O)c3)c2cc1O [O-]C(=O)C(F)(F)F.COc1cc2CC[N+](C)(C)C(Cc3ccc(O)c(O)c3)c2cc1O is rac-3'-hydroxy-N,N-dimethylcoclaurinium trifluoroacetate. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@@H]2O)CO)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@@H]2O)CO)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO is A trisaccharide consisting of an alpha-D-glucopyranose and two alpha-D-galactopyranose residues joined in sequence by (1->6) and (1->2) glycosidic bonds. It is also related to or classified as trisaccharide .
The molecule C(CCCCCC/C=C/C(=O)O)CCCCCCO is an omega-hydroxy fatty acid that is trans-2-hexadecenoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. It is an alpha,beta-unsaturated monocarboxylic acid, an omega-hydroxy fatty acid, a long-chain fatty acid, a straight-chain fatty acid and a hydroxy monounsaturated fatty acid. It derives from an (E)-hexadec-2-enoic acid.
The molecule CC/C=C\\C[C@@H](/C=C/C=C\\C/C=C\\C=C\\[C@H](/C=C\\CCCC(=O)O)O)O is a member of the class of resolvins that is (5Z,8E,10Z,13Z,15Z,19Z)-docosahexaenoic acid carrying two hydroxy substituents at positions 7 and 17 (the 7S,17S-stereoisomer). It has a role as an anti-inflammatory agent, a human xenobiotic metabolite, a mouse metabolite and a marine xenobiotic metabolite. It is a diol, a resolvin, a secondary allylic alcohol and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a resolvin D5(1-).
The molecule CCCCCCCCCCCCCCCCCCC is a straight-chain alkane with 19 carbon atoms. It has been found as a component of essential oils isolated from Artemisia armeniaca. It has a role as a plant metabolite and a volatile oil component.
The molecule C1=COC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)F C1=COC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)F is N-[[[(4-fluorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@]([H])(OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@]5([H])CC[C@@]4(C)[C@]2(C)CC3)[C@@H]1O [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@]([H])(OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@]5([H])CC[C@@]4(C)[C@]2(C)CC3)[C@@H]1O is A triterpenoid saponin with gypsogenic acid as the aglycone species. It is isolated from the roots of Gypsophila oldhamiana and exhibits inhibitory activity against pancreatic lipase. It has the role of EC 3.1.1.3 (triacylglycerol lipase) inhibitor . It has the role of plant metabolite . Its functional parent is gypsogenic acid .  It is also related to or classified as carboxylic ester  . It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin .
The molecule CC(=O)N[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)O[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[C@@H]2CO)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](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)O[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[C@@H]2CO)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O is A linear amino pentasaccharide comprising beta-D-glucose at the reducing end with a beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl moiety at the 4-position.  beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-D-Glcp in which the anomeric configuration of the glucose residue at the reducing end is beta. It has the role of epitope . It has the role of antigen . It is also related to or classified as beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-D-Glcp  . It is also related to or classified as galactosamine oligosaccharide , amino pentasaccharide .
The molecule [O-]C(=O)C(F)(F)F.C[N+]1(C)CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1 [O-]C(=O)C(F)(F)F.C[N+]1(C)CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1 is rac-N-methyllaudanosolinium trifluoroacetate. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule CC(=O)NC1=CC=C(C=C1)N=NN2CCOCC2 CC(=O)NC1=CC=C(C=C1)N=NN2CCOCC2 is N-[4-(4-morpholinylazo)phenyl]acetamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O is a methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 5, 7 and 4' respectively. It has a role as an anti-inflammatory agent and a plant metabolite. It is a member of 7-hydroxyisoflavones and a methoxyisoflavone. It derives from an isoflavone.
The molecule C[C@@H](C[C@H](C(=O)O)N)N is the (2R,4S)-diastereomer of 2,4-diaminopentanoic acid It is a conjugate base of a (2R,4S)-2,4-diazaniumylpentanoate. It is a conjugate acid of a (2R,4S)-2,4-diaminopentanoate.
The molecule C(CC[NH2+]CCC[NH3+])C[NH3+] is an ammonium ion that is the trication of spermidine, formed by protonation at all three nitrogens. It has a role as a human metabolite and a fundamental metabolite. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a spermidine.
The molecule C1CCC(CC1)CNC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 C1CCC(CC1)CNC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3 is 2-[[2-furanyl(oxo)methyl]amino]benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester. It is also related to or classified as furans , aromatic amide .
The molecule [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@]6([H])O[C@@H]([C@@H](O)[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@]6([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(=O)OC)[C@@](C)(C=O)[C@]5([H])CC[C@@]4(C)[C@]2(C)CC3)[C@H](O)[C@@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@]6([H])O[C@@H]([C@@H](O)[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@]6([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(=O)OC)[C@@](C)(C=O)[C@]5([H])CC[C@@]4(C)[C@]2(C)CC3)[C@H](O)[C@@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A triterpenoid saponin with gypsogenin  as the aglycone species. It is isolated from the roots of Gypsophila oldhamiana and exhibits inhibitory activity against pancreatic lipase. It has the role of EC 3.1.1.3 (triacylglycerol lipase) inhibitor . It has the role of plant metabolite . Its functional parent is gypsogenin . It is also related to or classified as aldehyde  . It is also related to or classified as methyl ester  . It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@@H](O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@@H](O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino tetrasaccharide comprising beta-D-galactose at the reducing end having a beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl moiety attached at the 3-position. It has the role of antigen . It is also related to or classified as amino tetrasaccharide .
The molecule CC1=CC(=C2C(=C1)OC3=C(C2=O)[C@@]([C@@H](CC3)O)(C(=O)OC)O)O is a member of the class of xanthones that is methyl 2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8, a methyl group at position 6 and an oxo group at position 9 (the 1R,2R stereoisomer). It has been isolated from the sea fan derived fungus Aspergillus sydowii. It has a role as an Aspergillus metabolite. It is a member of phenols, a member of xanthones, a methyl ester, a secondary alcohol and a tertiary alcohol.
The molecule [H][C@]1(O[C@@H](C)[C@H](OC(=O)C(\C)=C/C)[C@@H](O)[C@H]1OC(=O)[C@@H](C)[C@@H](C)O)O[C@@H]1[C@H]2O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@H]3OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O[C@]1([H])O[C@H](CO)[C@H]2O [H][C@]1(O[C@@H](C)[C@H](OC(=O)C(\C)=C/C)[C@@H](O)[C@H]1OC(=O)[C@@H](C)[C@@H](C)O)O[C@@H]1[C@H]2O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@H]3OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O[C@]1([H])O[C@H](CO)[C@H]2O is soldanelline B. It has the role of metabolite . It is also related to or classified as lipopolysaccharide  .
The molecule CCCCC/C=C\\C=C\\C(=O)OC(CC(=O)[O-])C[N+](C)(C)C is an O-acylcarnitine having (2E,4Z)-decadienoyl as the acyl substituent. It has a role as a metabolite. It is an O-acylcarnitine, a carboxylic ester, an ammonium betaine and an O-decadienoylcarnitine. It derives from a carnitine.
The molecule C[C@H]1CC[C@]2([C@H]3[C@@H]1CC[C@](C3)(O2)C)C(C)C is a tricyclic sesquiterpenoid with formula C15H26O which is biosynthesised from farnesyl diphosphate by a sesquiterpene cyclase enzyme from Kitasatospora setae. It is a sesquiterpenoid, an organic heterotricyclic compound and a cyclic ether.
The molecule COc1cc2cc(oc2cc1N1CCOCCOCCN(CCOCC1)c1cc2oc(cc2cc1OC)-c1ccc(cc1C(O)=O)C(O)=O)-c1ccc(cc1C(O)=O)C(O)=O COc1cc2cc(oc2cc1N1CCOCCOCCN(CCOCC1)c1cc2oc(cc2cc1OC)-c1ccc(cc1C(O)=O)C(O)=O)-c1ccc(cc1C(O)=O)C(O)=O is A crown compound that is 1,4,10-trioxa-7,13-diazacyclopentadecane in which the hydrogens of the amino groups at position 7 and 13 are replaced by 2-(2,4-dicarboxyphenyl)-5-methoxy-1-benzofuran-6-yl groups. It is a cell-impermeant fluorescent sodium indicator. It has the role of fluorochrome .   It is also related to or classified as crown compound  . It is also related to or classified as aromatic ether , tetracarboxylic acid , 1-benzofurans .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O)NC(=O)C)CO)O)O)OC)O)O is an amino trisaccharide consisting of a 2-O-methyl-L-fucosyl residue at the non-reducing end linked (1->2) to an beta-D-galactosyl residue which is in turn linked (1->3) to an N-acetyl-beta-D-galactosamine.
The molecule [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@H](O[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5([C@H](O)C[C@@]43C)C(=O)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O[C@]3([H])O[C@@H](C)[C@H](O[C@]4([H])OC[C@@H](O)[C@H](O[C@]5([H])OC[C@H](O)[C@H](O)[C@H]5O[C@]5([H])OC[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H](O)[C@H]3O)[C@]2(C)C=O)[C@@H]1O[C@]1([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)=O [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@H](O[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5([C@H](O)C[C@@]43C)C(=O)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O[C@]3([H])O[C@@H](C)[C@H](O[C@]4([H])OC[C@@H](O)[C@H](O[C@]5([H])OC[C@H](O)[C@H](O)[C@H]5O[C@]5([H])OC[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H](O)[C@H]3O)[C@]2(C)C=O)[C@@H]1O[C@]1([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)=O is A triterpenoid saponin with quillaic acid as the aglycone species. It is isolated from the roots of Gypsophila oldhamiana and exhibits inhibitory activity against pancreatic lipase. It has the role of EC 3.1.1.3 (triacylglycerol lipase) inhibitor . It has the role of plant metabolite . Its functional parent is quillaic acid . It is also related to or classified as aldehyde  .  It is also related to or classified as carboxylic ester  . It is also related to or classified as pentacyclic triterpenoid , triterpenoid saponin .
The molecule [K+].[K+].CN1c2ccc(NC(=O)CI)cc2C(C)(C)\C1=C\C=C\C=C\C1=[N+](CCS([O-])(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S([O-])(=O)=O)S([O-])(=O)=O [K+].[K+].CN1c2ccc(NC(=O)CI)cc2C(C)(C)\C1=C\C=C\C=C\C1=[N+](CCS([O-])(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S([O-])(=O)=O)S([O-])(=O)=O is SNIR3 dye. It has the role of fluorochrome . It is also related to or classified as secondary carboxamide  .   It is also related to or classified as organoiodine compound  . It is also related to or classified as indoles , organic heterotricyclic compound , cyanine dye , organic potassium salt , organosulfonate salt .
The molecule CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C)O[C@H]3O1)[C@@H]2O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC(=O)C(\C)=C\C)[C@H]2O)[C@H]1OC(=O)[C@@H](C)CC CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C)O[C@H]3O1)[C@@H]2O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC(=O)C(\C)=C\C)[C@H]2O)[C@H]1OC(=O)[C@@H](C)CC is A resin glycoside that is the hexasaccharide derivative of  jalapinolic acid. It has been isolated from Calystegia soldanella. It has the role of metabolite . Its functional parent is jalapinolic acid . Its functional parent is tiglic acid . It is also related to or classified as hexasaccharide derivative , macrocyclic lactone , resin glycoside .
The molecule CC1=CC(=NN1C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SCC(=O)NC5=NC=CS5)C CC1=CC(=NN1C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SCC(=O)NC5=NC=CS5)C is 2-[[2-(3,5-dimethyl-1-pyrazolyl)-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-thiazolyl)acetamide. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(NN(C3=O)C4=C(C=C(C=C4)Cl)S(=O)(=O)[O-])C.[Na+] is an organic sodium salt that is the monosodium salt of 5-chloro-2-[5-hydroxy-3-methyl-4-({4-[(4-methylbenzene-1-sulfonyl)oxy]phenyl}diazenyl)-1H-pyrazol-1-yl]benzene-1-sulfonic acid. It has a role as a histological dye. It contains a Milling yellow 3G(1-).
The molecule CCCCC/C=C\\C=C\\[C@@H](CCCCCCCC(=O)[O-])OO is a monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of 9(R)-HPODE. It is a monocarboxylic acid anion, a HPODE(1-) and a 9-HPODE(1-). It is a conjugate base of a 9(R)-HPODE. It is an enantiomer of a 9(S)-HPODE(1-).
The molecule CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O is a member of the class of indolones that is 1,3-dihydro-2H-indol-2-one which is substituted by a (2,6-dichlorobenzyl)sulfonyl group at position 5 and by a (1H-pyrrol-2-yl)methylidene group at position 2, the pyrrole ring of which is substituted by methyl groups at positions 3 and 5, and by a [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl group at position 4 (the Z,R isomer). It has a role as a c-Met tyrosine kinase inhibitor and an antineoplastic agent. It is a member of indolones, a pyrrolecarboxamide, a N-acylpyrrolidine, a sulfone, a dichlorobenzene, an enamide, a secondary carboxamide and a tertiary carboxamide.
The molecule [Br-].[H]C(=C(C)C([H])=C1Sc2ccc3ccccc3c2N1CC)c1sc2ccc3ccccc3c2[n+]1CC [Br-].[H]C(=C(C)C([H])=C1Sc2ccc3ccccc3c2N1CC)c1sc2ccc3ccccc3c2[n+]1CC is carbocyanin DBTC. It has the role of fluorochrome . It is also related to or classified as cyanine dye , organic bromide salt .
The molecule C1[C@@H]([C@@H]([C@H]([C@@H]1O)CCC(CCCCC)=O)C/C=C\CCCC(=O)[O-])O C1[C@@H]([C@@H]([C@H]([C@@H]1O)CCC(CCCCC)=O)C/C=C\CCCC(=O)[O-])O is A prostaglandin carboxylic acid anion that is the conjugate base of 13,14-dihydro-15-keto-PGF2alpha, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as prostaglandin carboxylic acid anion .
The molecule CC(C)=CC[C@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(C)=C CC(C)=CC[C@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(C)=C is A member of the class of benzophenones isolated from the stem bark of  Allanblackia stuhlmannii and has been shown to exhibit antileishmanial and anticholinesterase activity. It has the role of metabolite . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of apoptosis inducer . It has the role of antileishmanial agent . It is also related to or classified as benzophenones , polyphenol , bridged compound .
The molecule [H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(=O)OC)[C@H](O)[C@H](O)CO [H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(=O)OC)[C@H](O)[C@H](O)CO is the carbohydrate acid ester that is the methyl ester of N-acetylneuraminic acid. Its functional parent is N-acetylneuraminic acid . It is also related to or classified as carbohydrate acid ester .
The molecule CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](O)[C@H](O)[C@@H](C)O[C@H]4O1)[C@@H]3O[C@@H]1O[C@@H](C)[C@H](OC(=O)C(\C)=C\C)[C@@H](OC(=O)[C@@H](C)[C@H](C)O)[C@H]1O)[C@H](O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]2OC(=O)[C@@H](C)CC CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](O)[C@H](O)[C@@H](C)O[C@H]4O1)[C@@H]3O[C@@H]1O[C@@H](C)[C@H](OC(=O)C(\C)=C\C)[C@@H](OC(=O)[C@@H](C)[C@H](C)O)[C@H]1O)[C@H](O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]2OC(=O)[C@@H](C)CC is A resin glycoside that is the pentasaccharide derivative of  jalapinolic acid. It has been isolated from Calystegia soldanella. It has the role of metabolite . Its functional parent is jalapinolic acid . Its functional parent is tiglic acid . It is also related to or classified as pentasaccharide derivative , macrocyclic lactone , resin glycoside .
The molecule C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-] is an organic anion that is the conjugate base of dolutegravir, obtained by deptotonation of the 7-hydroxy group. It is a conjugate base of a dolutegravir.
The molecule CCCCC/C=C\\C[C@H]1[C@H](O1)/C=C/C(C/C=C\\CCCC(=O)O)O is a C20 trienoic hydroxy fatty acid consisting of 8-hydroxyicosa-5,9,14-trienoic acid having an epoxy group at the 11,12-position. It is an epoxy fatty acid, a long-chain fatty acid, a trienoic fatty acid and a hydroxy polyunsaturated fatty acid. It derives from a (5Z,9E,14Z)-icosa-5,9,14-trienoic acid. It is a conjugate acid of a (5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate.
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=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 a polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA; major species at pH 7.3. It is a polyunsaturated fatty acyl-CoA(4-), a very long-chain acyl-CoA(4-) and a 3-substituted propionyl-CoA(4-). It is a conjugate base of a (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA.
The molecule CCCC(CCCCOC(=O)C)Cl is an acetate ester that is octyl acetate substituted by a chloro group at position 5. It has a role as a metabolite. It is an acetate ester and an organochlorine compound.
The molecule CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O is Guttiferone A (rel-(+)). It has the role of metabolite . It is also related to or classified as monoterpenoid .
The molecule Nc1nc(F)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 Nc1nc(F)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 is 2'-deoxy-2-fluoroadenosine.  It is also related to or classified as organofluorine compound  . It is also related to or classified as adenosines .