anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Cc1cc(-c2ccc(cc2)S(O)(=O)=O)c2ccc3c(cc(C)nc3c2n1)-c1ccc(cc1)S(O)(=O)=O Cc1cc(-c2ccc(cc2)S(O)(=O)=O)c2ccc3c(cc(C)nc3c2n1)-c1ccc(cc1)S(O)(=O)=O is A phenanthroline that consists of 1,10-phenanthroline bearing two methyl groups at position 2 and 9 as well as two 4-sulfophenyl groups at positions 4 and 7. It has the role of chelator . It is also related to or classified as arenesulfonic acid , phenanthrolines .
The molecule [NH3+][C@H](Cc1ccccc1)C([O-])=O [NH3+][C@H](Cc1ccccc1)C([O-])=O is A D-alpha-amino acid zwitterion that is D-phenylalanine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. It is also related to or classified as D-alpha-amino acid zwitterion  .
The molecule C([C@H](C(=O)CO)O)OP(=O)([O-])[O-] is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of D-erythrulose 4-phosphate. Major structure at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a D-erythrulose 4-phosphate.
The molecule CCCCCCCCCCCC(C(=O)O)O is a 2-hydroxy fatty acid that is tridecanoic acid substituted by a hydroxy group at position 2. It has a role as a fungal metabolite. It derives from a tridecanoic acid.
The molecule OC(CO)COC(=O)CCCCCCC/C=C/CCCCCCCC OC(CO)COC(=O)CCCCCCC/C=C/CCCCCCCC is A 1-monoglyceride in which the acyl group is specified as (9E)-octadecenoyl. Its functional parent is elaidic acid . It is also related to or classified as 1-acylglycerol 18:1  .
The molecule CCCCCCCCCCCCCCO is a long-chain fatty alcohol that is tetradecane in which one of the terminal methyl hydrogens is replaced by a hydroxy group It is a long-chain primary fatty alcohol, a fatty alcohol 14:0 and a primary alcohol.
The molecule CC1=CC(=O)C(=C(C1=O)O)OC is a member of the class of monohydroxy-1,4-benzoquinones that is 1,4-benzoquinone which is substituted by a methoxy, hydroxy and methyl group at positions 2,3 and 5, respectively. It is a mycotoxin isolated from Aspergillus fumigatus. It has a role as an Aspergillus metabolite and a mycotoxin. It derives from a 2,3-dihydroxy-5-methyl-1,4-benzoquinone.
The molecule C(CC/C=C\\C/C=C\\CC1C(O1)C/C=C\\CCCC(=O)O)CCO is an epoxy(hydroxy)icosatrienoic acid that is (5Z,11Z,14Z)-icosatrienoic acid having the epoxide group across positions 8-9 and the hydroxy substituent located at position 20. It is an omega-hydroxy fatty acid and an epoxy(hydroxy)icosatrienoic acid. It derives from an arachidonic acid. It is a conjugate acid of an 8,9-epoxy-20-hydroxy-(5Z,11Z,14Z)-icosatrienoate.
The molecule C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N is the L-enantiomer of the sulfur-containing amino acid cystine. It has a role as a flour treatment agent, a human metabolite, a Saccharomyces cerevisiae metabolite, a mouse metabolite and an EC 1.2.1.12 (aspartate-semialdehyde dehydrogenase) inhibitor. It is a cystine, a L-cysteine derivative and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of a L-cystine anion. It is an enantiomer of a D-cystine. It is a tautomer of a L-cystine zwitterion.
The molecule C[C@H](CCC(C(C)C)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)O)C is a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid, a 24-hydroxy steroid and a 3-oxo-Delta(4) steroid. It has a role as a bile acid metabolite.
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC is A glycophytoceramide having an alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. It has the role of antineoplastic agent . It has the role of immunological adjuvant . It has the role of allergen . It has the role of epitope . It has the role of antigen . Its functional parent is alpha-D-galactose . It is also related to or classified as N-acyl-beta-D-galactosylphytosphingosine  . It is also related to or classified as glycophytoceramide .
The molecule CC1(CC(=O)c2ccccc2C1=O)S(O)(=O)=O CC1(CC(=O)c2ccccc2C1=O)S(O)(=O)=O is an organosulfonic acid obtained by formal hydrosulfonation across the 2 and 3 positions of menadione. Its functional parent is menadione . It is a conjugate acid of menadione sulfonate . It is also related to or classified as organosulfonic acid  .
The molecule C=1C=CC=C(C1N)OS(O)(=O)=O C=1C=CC=C(C1N)OS(O)(=O)=O is an aryl sulfate that is 2-aminophenol in which the phenolic hydrogen has been replaced by a sulfo group. Its functional parent is 2-aminophenol . It is a conjugate acid of 2-aminophenyl sulfate . It is also related to or classified as aryl sulfate , substituted aniline .
The molecule C[C@H](/C=C/CC(C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C is a 3beta-sterol that is 5alpha-androstane which contains a double bond between positions 7 and 8, in which the hydrogens at the 3beta, 5alpha and 6beta positions are substituted by hydroxy groups, and in which the hydrogen at the 17beta position is substituted by a (2S,3E,6xi)-6,7-dimethyloct-3-en-2-yl group. The polyhydroxylated C29 sterol was isolated from an endophytic fungus, Chaetomium globosum ZY-22; the stereochemistry at position 25 was not determined. It has a role as a Chaetomium metabolite. It is a 5alpha-hydroxy steroid, a 6beta-hydroxy steroid and a 3beta-sterol.
The molecule CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)[O-] is a methyl-branched fatty acid anion that is the conjugate base of pristanic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a methyl-branched fatty acid anion, a long-chain fatty acid anion and a 2-methyl fatty acid anion. It is a conjugate base of a pristanic acid.
The molecule CC(C)c1ccccc1 CC(C)c1ccccc1 is an alkylbenzene that is benzene carrying an isopropyl group. It is also related to or classified as alkylbenzene  .
The molecule [Na+].[Na+].[O-][Se]([O-])=O [Na+].[Na+].[O-][Se]([O-])=O is an inorganic sodium salt composed of sodium and selenite ions in a 2:1 ratio. It has the role of nutraceutical . It is also related to or classified as inorganic sodium salt , selenite salt .
The molecule CCCCCCCCCCCCCCCCOC[C@H](CO)O is a 1-n-hexadecyl analogue of an optically active alkylglycerol compound. It is a 1-O-alkyl-sn-glycerol and a 1-O-palmitylglycerol. It derives from a glycerol.
The molecule CC1(CC(=O)c2ccccc2C1=O)S([O-])(=O)=O CC1(CC(=O)c2ccccc2C1=O)S([O-])(=O)=O is an organosulfonate oxoanion that is the conjugate base of menadione sulfonic acid, arising from deprotonation of the sulfo group; major species at pH 7.3. It is also related to or classified as organosulfonate oxoanion  .
The molecule C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\\C is a diester that is crocetin in which both of the carboxy groups have been converted to their gentiobiosyl esters. It is one of the water-soluble yellow-red pigments of saffron and is used as a spice for flavouring and colouring food. Note that in India, the term 'Crocin' is also used by GlaxoSmithKline as a brand-name for paracetamol. It has a role as an antioxidant, a food colouring, a plant metabolite and a histological dye. It is a diester, a disaccharide derivative and a diterpenoid. It derives from a beta-D-gentiobiosyl crocetin and a gentiobiose.
The molecule CCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O is the 21-O-hexanoyl derivative of hydrocortisone. It is a cortisol ester, a glucocorticoid, a 17alpha-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a hexanoate ester, a 3-oxo-Delta(4) steroid and a tertiary alpha-hydroxy ketone. It derives from a cortisol. It derives from a hydride of a pregnane.
The molecule [Se](=O)([O-])[O-].[Na+].[Na+].O.O.O.O.O [Se](=O)([O-])[O-].[Na+].[Na+].O.O.O.O.O is A hydrate that is the pentahydrate form of disodium selenite. It has the role of nutraceutical . It is also related to or classified as hydrate .
The molecule C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2 is a beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects. It has a role as an antineoplastic agent, a metabolite and an antimutagen. It is a beta-diketone and an aromatic ketone.
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O)O[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O)O[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO)C(O)=O)[C@H](O)[C@H](O)CO is A branched amino pentasaccharide consisting of the linear sequence beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-D-Glc having a Neu5Ac residue attached to the inner galactose via an alpha-(2->3) linkage. It is a conjugate acid of beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-D-Glcp(1-) . It is also related to or classified as galactosamine oligosaccharide , amino pentasaccharide .
The molecule CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F is a racemate comprising equimolar amounts of (R)- and (S)-tosufloxacin tosylate. It has a role as an antimicrobial agent, an antiinfective agent, a DNA synthesis inhibitor, a hepatotoxic agent and a topoisomerase IV inhibitor. It contains a tosufloxacin(1+), a (S)-tosufloxacin tosylate and a (R)-tosufloxacin tosylate.
The molecule [Na+].CC1(CC(=O)c2ccccc2C1=O)S([O-])(=O)=O [Na+].CC1(CC(=O)c2ccccc2C1=O)S([O-])(=O)=O is an organic sodium salt that is the monosodium salt of menadione sulfonate. A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted into active vitamin K2, menaquinone, after alkylation in vivo. Its functional parent is menadione . It is also related to or classified as organic sodium salt .
The molecule CC1=CC2=C(C(=C1)O)C(=O)C3=C([C@H]2[C@H]4[C@@H]([C@H]([C@H]([C@@H](O4)O)OC(=O)C=C(C)C)O)O)C=CC=C3O is a C-glycosyl compound that is 1,8-dihydroxy-3-methylanthracen-9(10H)-one substituted by a 2-O-senecioyl-alpha-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10R stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma. It has a role as a metabolite and an antineoplastic agent. It is a C-glycosyl compound, a member of anthracenes and a polyphenol. It derives from a 3-methylbut-2-enoic acid.
The molecule CCCCC/C=C\\C/C=C\\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are specified as (11Z,14Z)-icosadienoyl and (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl respectively. It has a role as a mouse metabolite. It derives from a (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid and an (11Z,14Z)-icosadienoic acid.
The molecule S([C@@]1(N(C(=O)[C@@](OC)([C@H](SC)C=2C3=C(C=CC=C3)NC2)NC1=O)C)C(C)C)C S([C@@]1(N(C(=O)[C@@](OC)([C@H](SC)C=2C3=C(C=CC=C3)NC2)NC1=O)C)C(C)C)C is Phaeosphaone B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O O[C@@H]1[C@@H](COP([O-])([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O is A nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of 5'-xanthylic acid; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as nucleoside 5'-monophosphate(2-)  .
The molecule CC1=C(C=C(C=C1[N+](=O)[O-])NO)[N+](=O)[O-] is a member of the class of nitrotoluenes that is 2,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 4. It has a role as a xenobiotic metabolite. It is a nitrotoluene and a member of hydroxylamines.
The molecule CCOC(=O)C(\Cl)=C\c1cc(ccc1Cl)N1C(=O)C2=C(CCCC2)C1=O CCOC(=O)C(\Cl)=C\c1cc(ccc1Cl)N1C(=O)C2=C(CCCC2)C1=O is A carboxylic ester and organochlorine compound that is the ethyl ester of cinidon. It has the role of herbicide . It is also related to or classified as ethyl ester  . It is also related to or classified as isoindoles , monochlorobenzenes .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC is a 1,2-diacyl-sn-glycerol where alpha-linolenoyl and oleoyl form the 1- and 2-acyl groups respectively. It is a 1-alpha-linolenoyl-2-oleoylglycerol and a 1,2-diacyl-sn-glycerol. It is an enantiomer of a 2-oleoyl-3-alpha-linolenoyl-sn-glycerol.
The molecule C(CCCC(=O)O)CC\C(=C\C(=O)O)\O C(CCCC(=O)O)CC\C(=C\C(=O)O)\O is A dicarboxylic acid that is dec-2-enedioic acid substituted at position 3 by a hydroxy group (the Z-geoisomer). It is also related to or classified as enol  . It is also related to or classified as dicarboxylic acid , 3-hydroxy carboxylic acid .
The molecule CCCCC[C@H]1/C(=C/C=C/CCCCCCCC(=O)O)/O1 is a C18, polyunsaturated, epoxy fatty acid having double bonds at positions 9 and 11, and a (13S)-12,13-epoxy group. It is a polyunsaturated fatty acid, an epoxy fatty acid and a long-chain fatty acid. It derives from an octadeca-9,11-dienoic acid.
The molecule O=C(NCC1=CC(OC)=C(O)C=C1)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC O=C(NCC1=CC(OC)=C(O)C=C1)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC is N-arachidonoyl vanillylamine. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O)CCc1ccccc1 O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O)CCc1ccccc1 is A prostaglandin Falpha that is an analogue of prostaglandin F2alpha in which the pentyl group has been replaced by 2-phenylethyl and where the the 13,14-double bond has undergone formal hydrogenation. Its isopropyl ester prodrug, latanoprost, is used in the treatment of open-angle glaucoma and ocular hypertension. It has the role of EC 4.2.1.1 (carbonic anhydrase) inhibitor . It has the role of antihypertensive agent . It has the role of antiglaucoma drug .  It is also related to or classified as prostaglandins Falpha  . It is also related to or classified as hydroxy monocarboxylic acid .
The molecule CC1=CCCC(=C)/C=C/[C@H](CC1)C(C)CC(=O)C=C(C)C is a diterpenoid that is cyclodeca-1,6-diene substituted by a methyl group at position 8, a methylidene group at position 4 and a 2-methyl-4-oxohept-2-en-6-yl group at position 1. It has been isolated from the Hainan soft coral Lobophytum cristatum. It has a role as a coral metabolite. It is a diterpenoid and an enone.
The molecule [C@H]1(C2=C(C[C@@]3([C@@]1(C(OC3)=O)[H])[H])C=C4OCOC4=C2)C5=CC(=C(OC)C(=C5)OC)OC [C@H]1(C2=C(C[C@@]3([C@@]1(C(OC3)=O)[H])[H])C=C4OCOC4=C2)C5=CC(=C(OC)C(=C5)OC)OC is A member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 3,4,5-trimethoxyphenyl group. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of plant metabolite . It is also related to or classified as lignan  . It is also related to or classified as gamma-lactone  . It is also related to or classified as furonaphthodioxole  . It is also related to or classified as methoxybenzenes .
The molecule C1=CC=C(C=C1)[As+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 is an arsonium ion consisting of four phenyl groups attached to a central arsonium. It derives from a hydride of an arsonium.
The molecule COC1=C(C=CC(=C1)C=O)O is a member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively. It has a role as a plant metabolite, a flavouring agent, an antioxidant and an anticonvulsant. It is a member of phenols, a monomethoxybenzene and a member of benzaldehydes.
The molecule CCCCOCCO CCCCOCCO is A primary alcohol that is ethanol in which one of the methyl hydrogens is replaced by a butoxy group. A high-boiling (171degreeC) colourless liquid, it is used as a solvent for paints and inks, as well as in some dry cleaning solutions. It has the role of protic solvent . It is also related to or classified as primary alcohol  . It is also related to or classified as glycol ether .
The molecule C(=C\\C(=O)[O-])\\C(=C(/C(=O)[O-])\\Cl)\\Cl is a 2,3-dichloromuconate(2-) obtained by deprotonation of the carboxy groups of (2Z,4Z)-2,3-dichloromuconic acid. Major species at pH 7.3 It is a conjugate base of a (2Z,4Z)-2,3-dichloromuconic acid.
The molecule CC/C=C\\C[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\\CCCC(=O)[O-])O is a prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin D3, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a prostaglandin D3.
The molecule C1=CC=C(C=C1)C(=O)CBr is an alpha-bromoketone that is acetophenone substituted by a bromo group at position 2. It has a role as a metabolite. It is an alpha-bromoketone and a member of acetophenones.
The molecule C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)C is a cholanic acid anion that is the conjugate base of 7beta-hydroxy-3,12-dioxo-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 7beta-hydroxy-3,12-dioxo-5beta-cholanic acid.
The molecule OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F OCCC(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 fluorotelomer alcohol that is ethanol substituted at position 2 by a perfluorooctyl group. Its functional parent is decan-1-ol . It is also related to or classified as primary alcohol  . It is also related to or classified as fluorotelomer alcohol .
The molecule C/C/1=C\\CC(/C=C/C(/C(=C/CC1)/C)O)(C)C is a sesquiterpenoid that is (1E,4E,8E)-alpha-humulene which is substituted by a hydroxy group at the carbon atom attached to two double bonds (position 8). It is a sesquiterpenoid and a secondary alcohol. It derives from a hydride of a humulane.
The molecule O(C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C/C(/C)=C/C#N O(C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C/C(/C)=C/C#N is Type III cyanolipid 18:3 ester. It is also related to or classified as nitrile  . It is also related to or classified as fatty acid ester  .
The molecule S(OCCO)([H])(=O)=O S(OCCO)([H])(=O)=O is A sulfonate ester obtained by formal condensation of one of the hydroxy groups of ethylene glycol with sulfonic acid. Its functional parent is ethylene glycol . It is also related to or classified as primary alcohol  . It is also related to or classified as sulfonate ester  .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O)O)O is any of a group of glycosaminoglycans with repeating units consisting of variously sulfated beta1->4-linked L-iduronyl-(alpha1->3)-N-acetyl-D-galactosamine units. It has a role as a hematologic agent and an anticoagulant. It is a sulfated glycosaminoglycan and a mucopolysaccharide. It derives from a dermatan. It is a conjugate acid of a dermatan sulfate polyanion.
The molecule S(OC=1C=C2OC(C3=CC(OC)=C(OS(O)(=O)=O)C=C3)=CC(=O)C2=C(O)C1OC)(O)(=O)=O S(OC=1C=C2OC(C3=CC(OC)=C(OS(O)(=O)=O)C=C3)=CC(=O)C2=C(O)C1OC)(O)(=O)=O is 6-Hydroxyluteolin 6,3'-dimethyl ether 7,4'-disulfate. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@@H](OC(=O)CCC(O)=O)[C@@H]2C)O4 [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@@H](OC(=O)CCC(O)=O)[C@@H]2C)O4 is an artemisinin derivative that is the hemisuccinate ester of the lactol resulting from the reduction of the lactone carbonyl group of artemisinin. It is used, generally as the sodium salt, for the treatment of malaria. It has the role of ferroptosis inducer . It has the role of antineoplastic agent . It has the role of antimalarial . It is also related to or classified as hemisuccinate , sesquiterpenoid , cyclic acetal , artemisinin derivative , semisynthetic derivative , dicarboxylic acid monoester .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC[C@@H](/C=C/C=C\\C/C=C\\C/C=C\\CCCCC)O is a 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at positions 1 and 2 are specified as hexadecanoyl and (5S,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoyl respectively. It has a role as a mouse metabolite. It derives from a hexadecanoic acid.
The molecule CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(CC=C)CC=C)/C4=C(C3=O)O)COC)C)C is an organic heterotetracyclic compound that is obtained from wortmanin via aminolysis of its furan ring by diallyl amine. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It is an organic heterotetracyclic compound, a delta-lactone, an acetate ester and a tertiary amino compound. It derives from a wortmannin.
The molecule [H][C@@]12[C@@H](CC[N+]1([O-])CC=C2COC(=O)[C@](O)(C(C)C)[C@H](C)O)OC(=O)C(\C)=C\C [H][C@@]12[C@@H](CC[N+]1([O-])CC=C2COC(=O)[C@](O)(C(C)C)[C@H](C)O)OC(=O)C(\C)=C\C is A pyrrolizine that is the N-oxido derivative of symphytine. Isolated from extracts of comfrey root. It has the role of metabolite . Its functional parent is symphytine . It is also related to or classified as tertiary amine oxide  . It is also related to or classified as pyrrolizines , but-2-enoate ester .
The molecule C[Te](=O)(=O)O is a tellurium oxoacid that is telluronic acid in which the hydrogen atom attached to tellurium is substituted by a methyl group. It is a tellurium oxoacid and a one-carbon compound. It is a conjugate acid of a methanetelluronate(1-).
The molecule C1=CC2=C(C=CC(=C2C=C1C(=O)O)[O-])O is a monocarboxylic acid anion that is the conjugate base of 1,4-dihydroxy-6-naphthoic acid, arising from deprotonation of the carboxy group. It is a conjugate base of a 1,4-dihydroxy-6-naphthoic acid.
The molecule CC(=O)C[C@@H]1CCCN1C is a 1-(1-methylpyrrolidin-2-yl)acetone that has S configuration. It is a pyrrolidine alkaloid and a 1-(1-methylpyrrolidin-2-yl)acetone. It is an enantiomer of a hygrine.
The molecule [H][C@]1(\C=C\[C@@H](O)C(C)CC#CC)[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O [H][C@]1(\C=C\[C@@H](O)C(C)CC#CC)[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O is A carbobicyclic compound that is prostaglandin I2 in which the endocyclic oxygen is replaced by a methylene group and in which the (1E,3S)-3-hydroxyoct-1-en-1-yl side chain is replaced by a (3R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl group. A synthetic analogue of prostacyclin, it is used as the trometamol salt (generally by intravenous infusion) for the treatment of peripheral vascular disease and pulmonary hypertension. It has the role of vasodilator agent . It has the role of platelet aggregation inhibitor .  It is also related to or classified as secondary alcohol  . It is also related to or classified as monocarboxylic acid , carbobicyclic compound .
The molecule C(CCNC(=O)C)C(C(O)=O)N C(CCNC(=O)C)C(C(O)=O)N is an ornithine derivative in which one of the amino hydrogens on the side-chain of ornithine has been replaced by an acetyl group. It is also related to or classified as ornithine derivative .
The molecule C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)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 a role as an antilipemic drug and a persistent organic pollutant. It derives from an octane-1-sulfonic acid.