anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC)[C@H]1O [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC)[C@H]1O is A cardenolide glycoside consisting of digitoxigenin having a beta-D-glucopyrananosyl-(1->4)-alpha-L-acofriopyranosyl moiety attached at the 3-position. Its functional parent is digitoxigenin . It is also related to or classified as cardenolide glycoside .
The molecule C/C(=C/CC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=CC(=C(C=C4O)O)O)/CO is an extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2', 4' and 5', a 3-(hydroxymethyl)but-2-en-1-yl group at position 3 and a 6,6-dimethyl-3,6-dihydro-2H-pyran group across positions 7 and 8. It has been isolated from Artocarpus odoratissimus. It has a role as a plant metabolite. It is a tetrahydroxyflavone and an extended flavonoid.
The molecule C1=CC(=CC=C1CCCC[C@@H](CCC2=CC(=C(C=C2)O)O)O)O is a diarylheptanoid that is heptan-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis. It has a role as a plant metabolite. It is a diarylheptanoid, a member of catechols and a secondary alcohol.
The molecule C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)[O-])C=O)CO[C@H]5[C@H]([C@@H]([C@@H]([C@H](O5)C)O)O)O is a 3-oxo monocarboxylic acid anion that is the conjugate base of 4'-O-demethylsordarin, arising from deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 4'-O-demethylsordarin.
The molecule [C@H]1([C@]2(C[C@H](C(O2)=O)CC[C@@H](C(=CC1)C)O)[H])C(C)=C [C@H]1([C@]2(C[C@H](C(O2)=O)CC[C@@H](C(=CC1)C)O)[H])C(C)=C is A sesquiterpene lactone with formula C15H22O3 that is isolated from Viola yedoensis and Aristolochia versicolor. It has the role of plant metabolite . It is also related to or classified as secondary alcohol  . It is also related to or classified as sesquiterpene lactone , oxabicycloalkane , germacrane sesquiterpenoid , olefinic compound .
The molecule CC(C1OCCO1)C2=CC=CC=C2 is a dioxolane that is 1,3-dioxolane substituted by a 1-phenylethyl group at position 2. It has a role as a metabolite. It is a dioxolane, a cyclic acetal and a member of benzenes. It derives from a hydride of a 1,3-dioxolane.
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(C)=O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)OCCCNC(CCOCCOCCOCCOCCOCCOCCNC(CCCC[C@H]3[C@]4(NC(N[C@]4(CS3)[H])=O)[H])=O)=O)NC(C)=O)O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(C)=O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)OCCCNC(CCOCCOCCOCCOCCOCCOCCNC(CCCC[C@H]3[C@]4(NC(N[C@]4(CS3)[H])=O)[H])=O)=O)NC(C)=O)O is A disaccharide derivative in which N-acetyl-alpha-D-galactosaminyl-(1->4)-N-acetyl-alpha-D-galactosamine is linked glycosidically to biotin via a (21-oxo-3,6,9,12,15,18-hexaoxa-22-azapentacosan-1-yl)amino spacer. One of a set of synthesised biotinylated oligo-alpha-(1->4)-D-galactosamines comprising from two to six monosaccharide units, along with their N-acetylated derivatives (PMID:31913631), aimed at analysing the specificity of the antibody responses to a complex exopolysaccharide galactosaminogalactan found in Aspergillus fumigatus, the most important airborne human fungal pathogen in industrialized countries. It is also related to or classified as biotins , disaccharide derivative .
The molecule C=1(C=NC(=CC1)C(F)(F)F)[C@@H]([S@@](C)(=NC#N)=O)C C=1(C=NC(=CC1)C(F)(F)F)[C@@H]([S@@](C)(=NC#N)=O)C is A [methyl(oxido){1-[6-(trifluoromethyl)pyridin-3-yl]ethyl}-lambda(6)-sulfanylidene]cyanamide that has S configuration at both the sulfur atom and at the carbon attached to position 3 of the pyridine ring. It is also related to or classified as [methyl(oxido){1-[6-(trifluoromethyl)pyridin-3-yl]ethyl}-lambda(6)-sulfanylidene]cyanamide  .
The molecule C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1[NH3+])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C[NH3+])O)O)[NH3+])O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)[NH3+])O)O)[NH3+] is an organic cation obtained by protonation of the five free amino groups of 6'''-hydroxyneomycin C; major species at pH7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a 6'''-hydroxyneomycin C.
The molecule COC(=O)C(CC1=CC2=C(C=C1)N=C(C=C2)C3=C(C=CC=C3Cl)Cl)NCC4=C(C=CC=C4Cl)Cl is an alanine derivative that is methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate in which one of the hydrogens attached to the primary amino group is replaced by a 2,6-dichlorobenzyl group. It is a member of quinolines, an alpha-amino acid ester, a dichlorobenzene, a non-proteinogenic amino acid derivative and a secondary amino compound. It derives from a methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate.
The molecule C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O is a purine ribonucleoside 5'-monophosphate having xanthine as the nucleobase. It has a role as a metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a purine ribonucleoside 5'-monophosphate and a xanthosine 5'-phosphate. It is a conjugate acid of a 5'-xanthylate(2-).
The molecule C1=CC(=CC=C1CCNC(=O)CC[C@@H](C(=O)[O-])[NH3+])O is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of gamma-glutamyltyramine It is a tautomer of a gamma-glutamyltyramine.
The molecule OC(C1C2(C(C3C(C4(C(=CC3)CC(OC5OC(C(O)C(O)C5O)CO)CC4OC(=O)C)C)CC2)CC1)C)(C6OC(=O)C(=C(C6)C)C)C OC(C1C2(C(C3C(C4(C(=CC3)CC(OC5OC(C(O)C(O)C5O)CO)CC4OC(=O)C)C)CC2)CC1)C)(C6OC(=O)C(=C(C6)C)C)C is Physalolactone B 3-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as withanolide .
The molecule CCC1=C(C)\C(NC1=O)=C\c1[nH]c(\C=C2/N=C(/C=C3NC(=O)[C@H](C)C\3=C\C)C(C)=C/2CCC(O)=O)c(CCC(O)=O)c1C CCC1=C(C)\C(NC1=O)=C\c1[nH]c(\C=C2/N=C(/C=C3NC(=O)[C@H](C)C\3=C\C)C(C)=C/2CCC(O)=O)c(CCC(O)=O)c1C is the (3Z)-isomer of (2R)-phycocyanobilin. It is a conjugate acid of (2R,3Z)-phycocyanobilin(2-) . It is also related to or classified as (2R)-phycocyanobilin  .
The molecule O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)CO[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C)[C@@H]6OC([C@@H](O)[C@H](O)C6OC(=O)C)CO O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)CO[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C)[C@@H]6OC([C@@H](O)[C@H](O)C6OC(=O)C)CO is Acacetin 7-Rhamnosyl-(1->6)[2''-acetylglucosyl-(1->2)glucoside]. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3 is 1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=CC=C1N=NC2=C(C=C(C=C2)O)O)[N+](=O)[O-] is an azobenzene in which the phenyl rings are 4-nitro- and 2,4-dihydroxy-substituted respectively. It is a member of resorcinols, a C-nitro compound and a member of azobenzenes.
The molecule Cc1c(CC(=O)NN)c(=O)oc2c(F)c(O)c(F)cc12 Cc1c(CC(=O)NN)c(=O)oc2c(F)c(O)c(F)cc12 is marina blue dye. It has the role of fluorochrome . Its functional parent is 6,8-difluoro-7-hydroxy-4-methylcoumarin . It is also related to or classified as carbohydrazide  .
The molecule CC/C=C\\C[C@H]1[C@H](CCC1=O)CC(=O)[O-] is a jasmonate anion resulting from the removal of a proton from the carboxy group of (+)-7-isojasmonic acid. The major species at pH 7.3. It is a conjugate base of a (+)-7-isojasmonic acid.
The molecule CCCN1C=CC=C1C(=O)CO is a pyrrole carrying propyl and hydroxyacetyl groups at the 1- and 2-positions respectively. It is a member of pyrroles and a primary alpha-hydroxy ketone.
The molecule C1(C=2C=C(C(O)=CC2)O)OC=3C(=C(C=C(C3)O)O)CC1O C1(C=2C=C(C(O)=CC2)O)OC=3C(=C(C=C(C3)O)O)CC1O is members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives. It is also related to or classified as hydroxyflavan .
The molecule C1=C(C(=O)C(=CC1=O)Cl)Cl is a member of the class of 1,4-benzoquinones that is p-benzoquinone in which the hydrogens at positions 2 and 6 have been replaced by chlorines. A highly toxic and carcinogenic disinfection by-product found in drinking water. It has a role as a carcinogenic agent and a poison. It is a member of 1,4-benzoquinones and an organochlorine compound.
The molecule C(=O)([C@@H](N)CCS(C)(=O)=O)O C(=O)([C@@H](N)CCS(C)(=O)=O)O is an L-methionine derivative in which the sulfur has been oxidised to the corresponding sulfone. It has the role of animal metabolite . It is also related to or classified as methionine sulfone  . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-methionine derivative .
The molecule C1=CC(=CC(Br)=C1O)CC[NH3+] C1=CC(=CC(Br)=C1O)CC[NH3+] is this compound belongs to the class of organic compounds known as o-bromophenols. Brominated marine phenethylamine derivative. It is also related to or classified as organic molecular entity .
The molecule CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO is a benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a glycoloyl(methyl)amino group at the 5-position. It has a role as a radioopaque medium, an environmental contaminant and a xenobiotic. It is a benzenedicarboxamide and an organoiodine compound.
The molecule COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)OC is a trimethoxyflavone that is the 7,3',4'-trimethyl ether derivative of quercetin. It has been isolated from Euodia confusa. It has a role as a metabolite and a plant metabolite. It is a dihydroxyflavone, a member of flavonols, a trimethoxyflavone and a member of 3'-methoxyflavones. It derives from a quercetin.
The molecule Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O is A tetrahydroxyanthraquinone having the four hydroxy groups at the 1-, 2-, 5- and 8-positions. It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It is also related to or classified as tetrahydroxyanthraquinone .
The molecule Cc1c(CCC(O)=O)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O Cc1c(CCC(O)=O)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O is protoporphyrinate. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as protoporphyrins .
The molecule CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C is a retinoid that is retinoic acid in which the carboxy proton has been replaced by a beta-D-glucuronyl residue. It has a role as a human metabolite. It is a member of glucuronic acids and a retinoid. It derives from an all-trans-retinoic acid. It is a conjugate acid of a 1-O-(all-trans-retinoyl)-beta-D-glucuronate.
The molecule Oc1cc(O)c2C(=O)c3c(O)c(O)cc(O)c3C(=O)c2c1O Oc1cc(O)c2C(=O)c3c(O)c(O)cc(O)c3C(=O)c2c1O is A hexahydroxyanthraquinone that is anthracene-9,10-dione in which the six hydroxy substituents are located at positions 1, 2, 4, 5, 6 and 8. Used as as a hematoxylin substitute in H&E staining. It has the role of histological dye . It is also related to or classified as hexahydroxyanthraquinone .
The molecule C1[C@@]2(N3C\C(\[C@]1([C@H]([C@@]45C[C@@]3(O[C@@]24N(C6=C5C=CC=C6)C)[H])C(OC)=O)[H])=C\C)[H] C1[C@@]2(N3C\C(\[C@]1([C@H]([C@@]45C[C@@]3(O[C@@]24N(C6=C5C=CC=C6)C)[H])C(OC)=O)[H])=C\C)[H] is ervincine. Its functional parent is picrinine . It is also related to or classified as furans , alkaloid ester .
The molecule C=1C=CC(=CC1)C(=O)OCCC C=1C=CC(=CC1)C(=O)OCCC is A benzoate ester obtained by condensation of benzoic acid and propanol. It has a balsamic odor reminescent of nuts with a sweet, fruity, nut-like taste. It has the role of flavouring agent . It has the role of antimicrobial food preservative . It has the role of plant metabolite . It is also related to or classified as benzoate ester .
The molecule CCCCCCCC(C(=O)O)C(=O)O is a dicarboxylic acid that is malonic acid substituted with a heptyl group at position C-2. It has a role as a metabolite. It derives from a malonic acid.
The molecule COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2C(CC=CC2=O)C3=CN=CC=C3 COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2C(CC=CC2=O)C3=CN=CC=C3 is LSM-36615. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 is the ethyl ester of clofibric acid. It has the role of geroprotector . It has the role of antilipemic drug . It has the role of anticholesteremic drug . It has the role of PPARalpha agonist . Its functional parent is clofibric acid . It is also related to or classified as ethyl ester  . It is also related to or classified as aromatic ether , monochlorobenzenes .
The molecule C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl is 2,1,3-Benzothiadiazole substituted at C-4 by a Delta(1)-imidazolin-2-ylamino group and at C-4 by a chloro group. It is an agonist at alpha2-adrenergic receptor sites. It has a role as an alpha-adrenergic agonist and a muscle relaxant. It is a benzothiadiazole and a member of imidazoles.
The molecule C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)OC5=C(C(=O)NC(=O)N5)F.[Na+].[Li+] C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)OC5=C(C(=O)NC(=O)N5)F.[Na+].[Li+] is insilico novel compound for Colorectal Cancer. It is also related to or classified as piperazines .
The molecule C1C[C@@H](C(=O)C[C@H]1C(=O)O)O is a 4-oxo monocarboxylic acid, a 5-hydroxy monocarboxylic acid and a secondary alpha-hydroxy ketone. It derives from a cyclohexanecarboxylic acid. It is a conjugate acid of a (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OCCCCCC(=O)O)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O is a glycoside that consists of alpha-D-galactosyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-D-glucosamine in which the hydrogen at the reducing end is substituted by a carboxypentyl group. It is a glycoside, a monocarboxylic acid and a trisaccharide derivative.
The molecule CC1=CC=C(C=C1)C2=NNC3(S2)C4=CC=CC=C4NC3=O CC1=CC=C(C=C1)C2=NNC3(S2)C4=CC=CC=C4NC3=O is 5'-(4-methylphenyl)-2-spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]one. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C/C=C(\\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1([C@H]([C@]4([C@@H]3O[C@H]5C4=C([C@@H](C5)C6=COC=C6)C)C)CC(=O)OC)C)C)O is a limonoid that is salannin in which the acetyloxy group at position 6 is replaced by a hydroxy group. It has been isolated from Azadirachta indica. It has a role as an anti-inflammatory agent and a plant metabolite. It is a member of furans, a limonoid, an organic heteropentacyclic compound and a methyl ester. It derives from a tiglic acid and a salannin.
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C(O)=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C(O)=O is 3-hexaprenyl-4-hydroxybenzoic acid. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It is a conjugate acid of 4-hydroxy-3-all-trans-hexaprenylbenzoate . It is also related to or classified as monohydroxybenzoic acid .
The molecule NC(=O)CCCCC(S)CCSC(=O)CCCC(O)=O NC(=O)CCCCC(S)CCSC(=O)CCCC(O)=O is S(8)-glutaryldihydrolipoamide. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as S-substituted dihydrolipoamide .
The molecule OC=1C(=CC=2C(C1)=CC=CC2)C(=O)N/N=C/C=3C(O)=CC(O)=C(O)C3 OC=1C(=CC=2C(C1)=CC=CC2)C(=O)N/N=C/C=3C(O)=CC(O)=C(O)C3 is dynamin inhibitor. It has the role of EC 3.6.5.5 (dynamin GTPase) inhibitor . It is also related to or classified as aromatic alcohol  .
The molecule Cc1c(CCC([O-])=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC([O-])=O Cc1c(CCC([O-])=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC([O-])=O is the dicarboxylate anion of protoporphyrin, obtained by deprotonation of both carboxy groups. It is also related to or classified as cyclic tetrapyrrole anion .
The molecule C1CCN2[C@@H](CN(C1)C(=O)NC3=CC=C(C=C3)F)[C@H]([C@@H]2CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N C1CCN2[C@@H](CN(C1)C(=O)NC3=CC=C(C=C3)F)[C@H]([C@@H]2CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N is (8R,9R,10R)-9-[4-(3-cyanophenyl)phenyl]-N-(4-fluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule C(CCN)CCNCCCN is a polyazaalkane that is the 1,4,11-triaza derivative of undecane. It has a role as an Escherichia coli metabolite. It is a polyazaalkane and a triamine. It is a conjugate base of an aminopropylcadaverine(3+).
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)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)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)O)O)NC(=O)C)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O is an amino oligosaccharide that is an undecasaccharide derivative in which two alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl tetrasaccharide chains are linked (1->3) and (1->6) to the mannose residue of a beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine trisaccharide. It is an amino oligosaccharide and a glucosamine oligosaccharide.
The molecule C[C@@](O)([C@H](CC([O-])=O)C([O-])=O)C([O-])=O C[C@@](O)([C@H](CC([O-])=O)C([O-])=O)C([O-])=O is A tricarboxylic acid trianion resulting from the deprotonation of all three carboxy groups of (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as 3-hydroxybutane-1,2,3-tricarboxylate  . It is also related to or classified as tricarboxylic acid trianion .
The molecule N(CCCCCCCCCCCC)C1=NC(NCCN(C)C)=NC(=C1)C N(CCCCCCCCCCCC)C1=NC(NCCN(C)C)=NC(=C1)C is dual action dynamin inhibitor. It has the role of EC 3.6.5.5 (dynamin GTPase) inhibitor . It is also related to or classified as aromatic amine .
The molecule COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2C(CC=CC2=O)C3=CC=CS3 COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2C(CC=CC2=O)C3=CC=CS3 is LSM-36617. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule Oc1cccc2C(=O)c3c(O)cccc3C(=O)c12 Oc1cccc2C(=O)c3c(O)cccc3C(=O)c12 is A  dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 5. It is also related to or classified as dihydroxyanthraquinone  .
The molecule OI(=O)(O)(O)(O)[O-] is a monovalent inorganic anion obtained by deprotonation of one of the six OH groups in orthoperiodic acid acid. It is an orthoperiodate ion and a monovalent inorganic anion. It is a conjugate base of an orthoperiodic acid. It is a conjugate acid of an orthoperiodate(2-).
The molecule CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)C is a benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. It has a role as an antineoplastic agent, an anti-inflammatory agent and a plant metabolite. It is a benzochromenone and a member of orthoquinones.
The molecule CC(C)CC(=O)SCCC(S)CCCCC(N)=O CC(C)CC(=O)SCCC(S)CCCCC(N)=O is S(8)-(3-methylbutanoyl)dihydrolipoamide. It has the role of human metabolite . It is also related to or classified as S-(methylbutanoyl)dihydrolipoamide .
The molecule O1C(C(O)C(O)C(O)C1OC=2C=C(C=3OC=4C(C(=O)C3OC5OCC(O)C(O)C5O)=C(O)C=C(OC)C4)C=CC2O)C O1C(C(O)C(O)C(O)C1OC=2C=C(C=3OC=4C(C(=O)C3OC5OCC(O)C(O)C5O)=C(O)C=C(OC)C4)C=CC2O)C is Peumoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CNCC(O)C1=CC(O)=C(O)C=C1 CNCC(O)C1=CC(O)=C(O)C=C1 is A catecholamine in which the aminoethyl side-chain is hydroxy-substituted at C-1 and methylated on nitrogen. It is also related to or classified as catecholamine  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCC[C@@H]1C[C@@H]1CCCCCCCCCCCCCCCC[C@H]([C@H](C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)O is a synthetic chiral mycolic acid analogue comprising 3-hydroxypropanoic acid having a tetracosanyl group at position 2 and a further long-chain alkyl group containing cyclopropyl, methoxy and methyl functions attached at position 3.
The molecule CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]5(C31)[C@]6(C[C@@H]([C@H]7C[C@@H]4[C@@H]6[C@H]7OC)OC)OCO5)OC)OC)COC(=O)C8=CC=CC=C8N9C(=O)CC(C9=O)C is a diterpene alkaloid isolated from Delphinium shawurense. It is a dicarboximide, a pyrrolidinone, a diterpene alkaloid and a benzoate ester. It derives from a hydride of an aconitane.
The molecule C1COCCOc2ccccc2OCCOCCO1 C1COCCOc2ccccc2OCCOCCO1 is A crown ether that is 15-crown-5 ortho-fused to a benzene ring. It is also related to or classified as crown ether .
The molecule CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O is A carbohydrate-containing antibiotic that is the  semisynthetic derivative of lincomycin, a natural antibiotic. It has the role of xenobiotic . It has the role of environmental contaminant . Its functional parent is lincomycin .   It is also related to or classified as organochlorine compound  . It is also related to or classified as carbohydrate-containing antibiotic , S-glycosyl compound , pyrrolidinecarboxamide , semisynthetic derivative .
The molecule C[C@@H]([C@H](C1=CC=CC=C1)O)NC is a member of the class of the class of phenylethanolamines that is (1S)-2-(methylamino)-1-phenylethan-1-ol in which the pro-S hydrogen at position 2 is replaced by a methyl group. It has a role as a sympathomimetic agent, an anti-asthmatic drug, a bronchodilator agent, a vasoconstrictor agent, a central nervous system drug, a nasal decongestant, a xenobiotic and a plant metabolite. It is a secondary alcohol, a secondary amino compound and a member of phenylethanolamines. It is a conjugate base of a pseudoephedrine(1+).
The molecule CC1=C(C(=C(C2=C1OC=C(C2=O)C3=CC=CC=C3O)O)OC)O is a methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6, a methyl group at position 8 and hydroxy groups at positions 5, 7 and 2'. It has been isolated from Pisonia aculeata. It has a role as a metabolite and a plant metabolite. It is a member of 2'-hydroxyisoflavones, a member of 7-hydroxyisoflavones and a methoxyisoflavone. It derives from an isoflavone.
The molecule Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1 Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1 is xanthopurpurin. It has the role of metabolite . It is also related to or classified as dihydroxyanthraquinone  .
The molecule [H]OOS(=O)(=O)O[H] [H]OOS(=O)(=O)O[H] is peroxysulfuric acid. It is a conjugate acid of peroxysulfate(1-) . It is also related to or classified as sulfur oxoacid .
The molecule CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O is a thiol and a phosphopantetheine. It has a role as a cofactor. It is a conjugate acid of a pantetheine 4'-phosphate(2-).