anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[N+](C)(C)CCOS([O-])(=O)=O C[N+](C)(C)CCOS([O-])(=O)=O is an ammonium betaine that is the conjugate base of choline hydrogen sulfate, obtained by deprotonation of the sulfate OH group. It is also related to or classified as choline sulfates , ammonium betaine .
The molecule C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)COC(CC(CC(O)=O)(O)C)=O)=O)/CCC=C(C)C C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)COC(CC(CC(O)=O)(O)C)=O)=O)/CCC=C(C)C is A class I yanuthone that is 22-deacetylyanuthone A in which the primary alcohol has been esterified by condensation with one of the carboxy groups of 3-hydroxy-3-methylglutaric acid. It has the role of Aspergillus metabolite . Its functional parent is 22-deacetylyanuthone A . Its functional parent is 3-hydroxy-3-methylglutaric acid .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as class I yanuthone , dicarboxylic acid monoester .
The molecule C=CCCCCCCCC(=O)CC1=CC(=CC(=O)O1)O is an acyl tetraketide pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 2-oxoundec-10-en-1-yl group.
The molecule CC(C)c1oc(=O)cc2c1C[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O CC(C)c1oc(=O)cc2c1C[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O is Hallactone A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H]C(=O)[C@@H](O)COP(O)(O)=O [H]C(=O)[C@@H](O)COP(O)(O)=O is L-glyceraldehyde 3-phosphate. Its functional parent is L-glyceraldehyde . It is also related to or classified as glyceraldehyde 3-phosphate  .
The molecule C[N+](C)(C)[C@@H](CC1=CN=C(N1)S(=O)C[C@@H](C(=O)[O-])[NH3+])C(=O)[O-] is an L-alpha-amino acid zwitterion formed from hercynylcysteine sulfoxide by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is a tautomer of a hercynylcysteine sulfoxide.
The molecule O(C=1C2=C3C(N(C(=O)C(=O)C3=CC1O)C)=CC=4C2=CC=CC4)C O(C=1C2=C3C(N(C(=O)C(=O)C3=CC1O)C)=CC=4C2=CC=CC4)C is Aristolodione. Its functional parent is aporphine . It is also related to or classified as isoquinoline alkaloid .
The molecule OCC(O)COC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc12 OCC(O)COC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc12 is A carboxylic ester that is 2,3-dihydroxypropyl anthranilate in which the amino group is substituted by a 7-chloroquinolin-4-yl group. A non-steroidal anti-inflammatory drug, glafenine and its hydrochloride salt were used for the relief of all types of pain, but high incidence of anaphylactic reactions resulted in their withdrawal from the market. It has the role of inhibitor . It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . Its functional parent is glycerol . Its functional parent is anthranilic acid . It is also related to or classified as glycol  . It is also related to or classified as carboxylic ester  . It is also related to or classified as organochlorine compound  . It is also related to or classified as aminoquinoline  . It is also related to or classified as secondary amino compound .
The molecule C=1C(=NC=C(N1)O)O C=1C(=NC=C(N1)O)O is A pyrazine substituted by a hydroxy group at positions 2 and 5. It is also related to or classified as diol  . It is also related to or classified as pyrazines .
The molecule [C@@H]1(OS(O)(=O)=O)[C@]2(CC[C@]3([C@]([C@@]2(CC1)[H])(CC[C@@]4([C@@]3(CC[C@@H](C4)O)C)[H])[H])[H])C [C@@H]1(OS(O)(=O)=O)[C@]2(CC[C@]3([C@]([C@@]2(CC1)[H])(CC[C@@]4([C@@]3(CC[C@@H](C4)O)C)[H])[H])[H])C is an androstane sulfate that is 5alpha-androstan-3beta,17beta-diol in which the hydroxy hydrogen at position 17 has been replaced by a sulfo group. Its functional parent is 5alpha-androstane-3beta,17beta-diol . It is a conjugate acid of (3beta,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate(1-) .  It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as androstane sulfate .
The molecule O[C@@]1([C@]2([C@@](CC[C@](C2)(C(C)C)O)([C@H](O)CC1)C)[H])C O[C@@]1([C@]2([C@@](CC[C@](C2)(C(C)C)O)([C@H](O)CC1)C)[H])C is A eudesmane sesquiterpenoid that is eudesmane carrying three hydroxy substituents at positions 1, 4 and 7. It has the role of plant metabolite . It is also related to or classified as triol , eudesmane sesquiterpenoid .
The molecule CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O is A triterpenoid saponin that is hederagenin attached to an alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage. It has the role of plant metabolite . Its functional parent is hederagenin .   It is also related to or classified as alpha-L-arabinopyranoside  . It is also related to or classified as pentacyclic triterpenoid , hydroxy monocarboxylic acid , triterpenoid saponin , monosaccharide derivative .
The molecule O(C)C1=CC2=C(NC=C2CC(O)=O)C=C1 O(C)C1=CC2=C(NC=C2CC(O)=O)C=C1 is A member of the class of indole-3-acetic acids in which the hydrogen at position 5 of indole-3-acetic acid has been replaced by a methoxy group. It has the role of Brassica napus metabolite . It has the role of antibacterial agent . It has the role of carcinogenic agent . It has the role of marine xenobiotic metabolite . It has the role of human urinary metabolite . It has the role of rat metabolite . It is also related to or classified as indole-3-acetic acids , aromatic ether .
The molecule [H]C(=O)CCNC(C)=O [H]C(=O)CCNC(C)=O is 3-acetamidopropanal. Its functional parent is propanal . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as alpha-CH2-containing aldehyde  .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)CCCC(C)C [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)CCCC(C)C is cholesteryl beta-D-glucoside. Its functional parent is cholesterol . It is also related to or classified as sterol 3-beta-D-glucoside  . It is also related to or classified as monosaccharide derivative .
The molecule C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)COC(CC(CC(O)=O)(O)C)=O)=O)/CCCC(C)(C)O C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)COC(CC(CC(O)=O)(O)C)=O)=O)/CCCC(C)(C)O is A class I yanuthone that is yanuthone E in which the sesquiterpenoid double bond furthest from the epoxycyclohexenone ring has undergone formal addition of water to give the corresponding tertiary alcohol. It has the role of Aspergillus metabolite . Its functional parent is yanuthone E . Its functional parent is 3-hydroxy-3-methylglutaric acid .  It is also related to or classified as tertiary alcohol  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as class I yanuthone , triol , dicarboxylic acid monoester .
The molecule C=1C=C(C=C2C1C=CC(=O)O2)OC C=1C=C(C=C2C1C=CC(=O)O2)OC is A member of the class of coumarins that is coumarin substituted by a methoxy group at position 7. It has the role of fluorochrome . It is also related to or classified as coumarins .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(C(=O)CCC3=CC=C(O)C=C3)=C(O)C=C(O)C2)COC(=O)C O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(C(=O)CCC3=CC=C(O)C=C3)=C(O)C=C(O)C2)COC(=O)C is Phloretin 2'-O-(6''-O-acetylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C=C(C)CN2C [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C=C(C)CN2C is an ergot alkaloid that is ergoline which contains a double bond between positions 8 and 9, and which is substituted by methyl groups at positions 6 and 8. It is also related to or classified as ergot alkaloid .
The molecule O1C(C2(O)C(C(OC2)C3=CC(OC)=C(O)C=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C=C4 O1C(C2(O)C(C(OC2)C3=CC(OC)=C(O)C=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C=C4 is 8-Hydroxypinoresinol 4-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule C1=CC=C(C=C1)C#CC(=O)O is an acetylenic compound that is propynoic acid in which the acetylenic hydrogen is replaced by a phenyl group. It is an alpha,beta-unsaturated monocarboxylic acid, an acetylenic compound and a member of benzenes. It derives from a propynoic acid.
The molecule OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O is melibiitol. It has the role of mouse metabolite . It is also related to or classified as alditol  .
The molecule [H]C(=O)N[C@@H](CCSC)C([O-])=O [H]C(=O)N[C@@H](CCSC)C([O-])=O is the conjugate base of N-formyl-L-methionine; major species at pH 7.3. It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule P(N)(=N)=N P(N)(=N)=N is A phosphorus molecular entity that is phosphine in which the hydrogens are substituted by two imino groups and an amino group. It is also related to or classified as phosphorus molecular entity , nitrogen molecular entity .
The molecule CN1C(CCCNC(N)=[NH2+])=CN2C=CC=C2C1=O CN1C(CCCNC(N)=[NH2+])=CN2C=CC=C2C1=O is A guanidinium ion resulting from the protonation of the guanidyl group of peramine; Major microspecies at pH 7.3. It is a conjugate acid of peramine . It is also related to or classified as guanidinium ion  .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside that is oscr#38 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is oscr#38 . Its functional parent is (3R)-3,21-dihydroxyhenicosanoic acid . It is a conjugate acid of bhos#38(1-) . It is also related to or classified as monocarboxylic acid , 3-hydroxy carboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule NCCC(=O)c1cc(O)ccc1N NCCC(=O)c1cc(O)ccc1N is A hydroxykynurenamine where the hydroxy group is located at the 5-position. It has the role of mouse metabolite . It is also related to or classified as hydroxykynurenamine , primary amino compound .
The molecule CC(CCC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)CO)=O)C(O)=O CC(CCC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)CO)=O)C(O)=O is A class I yanuthone that is 5,6-epoxy-4-hydroxy-3-hydroxymethylcyclohex-2-en-1-one which is substituted at position 6 by a (2E)-7-carboxy-3-methyloct-2-en-1-yl group (the R,R,R stereoisomer). It has the role of Aspergillus metabolite .  It is also related to or classified as primary alcohol  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as class I yanuthone , monocarboxylic acid .
The molecule CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO is an aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used as the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions. It has a role as an antimalarial, an antirheumatic drug, a dermatologic drug and an anticoronaviral agent. It is an aminoquinoline, an organochlorine compound, a primary alcohol, a secondary amino compound and a tertiary amino compound. It derives from a chloroquine. It is a conjugate base of a hydroxychloroquine(2+).
The molecule O.Cl.Cc1ccc(cc1)C(=C/CN1CCCC1)\c1ccccn1 O.Cl.Cc1ccc(cc1)C(=C/CN1CCCC1)\c1ccccn1 is A hydrate that is the monohydrate form of triprolidine hydrochloride. A sedating antihistamine, it is used for the symptomatic relief of uticaria, rhinitis, and various pruritic skin disorders. It has the role of H1-receptor antagonist . It is also related to or classified as hydrate .
The molecule Oc1ccc2nc(sc2c1)-c1nc(=O)[cH-]s1 Oc1ccc2nc(sc2c1)-c1nc(=O)[cH-]s1 is the conjugate base of oxidized Photinus luciferin arising from removal of the acidic proton at the 5-position of the thiazol-4-one ring; major species at pH 7.3. It is also related to or classified as organic anion .
The molecule [H][C@]12C[C@]3(C)CCC[C@]3(C)C1=C[C@@]1(C)CC[C@]3(C)CC[C@H](C(C)C)[C@@]3([H])[C@]21[H] [H][C@]12C[C@]3(C)CCC[C@]3(C)C1=C[C@@]1(C)CC[C@]3(C)CC[C@H](C(C)C)[C@@]3([H])[C@]21[H] is A sesterterpene produced in the bacterium Streptomyces subrutilus. It has the role of bacterial metabolite .  It is also related to or classified as sesterterpene  . It is also related to or classified as carbopentacyclic compound , polycyclic olefin .
The molecule [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C=C(C)C[NH+]2C [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C=C(C)C[NH+]2C is an ammonium ion resulting from the protonation of the tertiary amino group of agroclavine. The major species at pH 7.3. It is a conjugate acid of agroclavine . It is also related to or classified as ammonium ion derivative .
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O is a trisaccharide consisting of beta-D-galactopyranose, alpha-D-glucopyranose and D-glucopyranose residuce joined in sequence by (1->4) glycosidic linkages. It derives from a maltose and an alpha-lactose.
The molecule [H][C@]12SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C([O-])=O [H][C@]12SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C([O-])=O is A cephalosporin carboxylis acid anion having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups, formed by proton loss from the carboxy group of ceftriaxone. It is also related to or classified as cephalosporin carboxylic acid anion .
The molecule [H][C@@]12CC[C@@]34O[C@@H]3C(O)=C(C[C@]4(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H])C#N [H][C@@]12CC[C@@]34O[C@@H]3C(O)=C(C[C@]4(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H])C#N is an epoxy steroid that is 3,17beta-dihydroxy-5alpha-androst-2-ene-2-carbonitrile in which the oxygen of the epoxy group is joined to the 4alpha and 5 alpha positions. It has the role of antineoplastic agent . It has the role of abortifacient . It has the role of EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor .  It is also related to or classified as nitrile  . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as epoxy steroid , 3-hydroxy steroid , androstanoid .
The molecule C(=C\C/C=C\CCCC(C)O)\CCCCCCCC(=O)O C(=C\C/C=C\CCCC(C)O)\CCCCCCCC(=O)O is an (omega-1)-hydroxy-long-chain fatty acid that is the conjugate base of (9Z,12Z)-octadeca-9,12-dienoic acid which has been substituted at position 17 by a hydroxy group. It is a conjugate acid of (9Z,12Z)-17-hydroxyoctadeca-9,12-dienoate .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy polyunsaturated fatty acid , (omega-1)-hydroxy fatty acid .
The molecule C=1(C=C(C(=CC1)O)O)/C=C/C(NCCCNCCCCN)=O C=1(C=C(C(=CC1)O)O)/C=C/C(NCCCNCCCCN)=O is N-caffeoylspermidine. Its functional parent is trans-caffeic acid . Its functional parent is spermidine . It is also related to or classified as secondary carboxamide  . It is also related to or classified as catechols  .
The molecule C([C@@H]1[C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]2OC[C@@H]3[C@H]([C@@H]([C@H](O3)OC[C@@H]4[C@H]([C@@H]([C@H](O4)O)O)O)O)O)CO)O)O)O)O is an arabinotetraose in which the four arabinofuranose residues are in a beta(1->2), alpha(1->5) and alpha(1->5) linear sequence (with alpha-configuration at the reducing end). Corresponds to part of the lipoarabinomannam from Mycobacterium leprae and M. tuberculosis. It has a role as an epitope.
The molecule OC(=O)CNC(=O)CC1=CNC2=CC=C(O)C=C12 OC(=O)CNC(=O)CC1=CNC2=CC=C(O)C=C12 is an N-acylglycine resulting from the formal condensation of the carboxy group of (5-hydroxyindol-3-yl)acetic acid with the amino group of glycine. It has the role of rat metabolite . Its functional parent is (5-hydroxyindol-3-yl)acetic acid . It is also related to or classified as N-acylglycine  . It is also related to or classified as hydroxyindoles .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside that is oscr#36 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is oscr#36 . Its functional parent is (3R)-3,20-dihydroxyicosanoic acid . It is a conjugate acid of bhos#36(1-) . It is also related to or classified as monocarboxylic acid , 3-hydroxy carboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)CO)=O)/CCC=C(C)C C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)CO)=O)/CCC=C(C)C is A class I yanuthone that is 7-deacetoxyyanuthone A in which the methyl group attached to the epoxy-cyclohexenone ring has been oxidised to the corresponding hydroxymethyl group. It has the role of Aspergillus metabolite . Its functional parent is 7-deacetoxyyanuthone A .  It is also related to or classified as primary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as class I yanuthone .
The molecule CCCCCCCCCCCCCCCCC=C CCCCCCCCCCCCCCCCC=C is an octadecene with unsaturation at C-1. It is also related to or classified as octadecene  .
The molecule O1[C@H]([C@H](O)[C@@H](O)[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO O1[C@H]([C@H](O)[C@@H](O)[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO is Quercetin 3-arabinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC(C)CCCCCCCNS(=O)(=O)[O-] is an organic sulfamate oxoanion that is the conjugate base of (8-methylnonyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has a role as a kairomone and a Daphnia pulex metabolite. It is a conjugate base of an (8-methylnonyl)sulfamic acid.
The molecule [Gd+3].COCCNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NCCOC)CC([O-])=O)CC([O-])=O [Gd+3].COCCNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NCCOC)CC([O-])=O)CC([O-])=O is A gadolinium coordination entity that consists of Gd(3+) coordinated to 3,6,9-triazaundecadiamide in which each of the amide nitrogens is substituted by a 2-methoxyethyl group and in which the nitrogens at positions 3, 6, and 9 are each substituted by carboxylatomethyl group. The gadolinium is coordinated to the three tertiary amino groups as well as to the carboxylate groups. A white odourless powder that is freely soluble in water, gadoversetamide has paramagnetic properties and is used as a contrast agent in magnetic resonance imaging. It distributes mainly in extracellular fluid, but does not cross the blood-brain barrier. It is used particularly in imaging the brain, spine and liver. It has the role of MRI contrast agent . It is also related to or classified as gadolinium coordination entity .
The molecule O(C(=O)CCCCCCC(C)C)CC1=CC(OC)=C(O)C=C1 O(C(=O)CCCCCCC(C)C)CC1=CC(OC)=C(O)C=C1 is Dihydrocapsiate. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C(=C\C/C=C\CCCC(C)O)\CCCCCCCC(=O)[O-] C(=C\C/C=C\CCCC(C)O)\CCCCCCCC(=O)[O-] is an (omega-1)-hydroxy-long-chain fatty acid anion that is the conjugate base of (9Z,12Z)-17-hydroxyoctadeca-9,12-dienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as (omega-1)-hydroxy-long-chain fatty acid anion  . It is also related to or classified as polyunsaturated fatty acid anion .
The molecule CC(=O)c1ccc(C)o1 CC(=O)c1ccc(C)o1 is A furan carrying acetyl and methyl substituents at the 2- and 5-positions respectively. It is also related to or classified as furans , methyl ketone , aromatic ketone .
The molecule O=C1N2[C@@H](C(=O)N[C@H]1C)C[C@H](C2)O O=C1N2[C@@H](C(=O)N[C@H]1C)C[C@H](C2)O is S,R,R-cyclo(Ala, OHPro). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC(=O)Cc1c[nH]c2ccc(O)cc12 OC(=O)Cc1c[nH]c2ccc(O)cc12 is A member of the class of indole-3-acetic acids that is  indole-3-acetic acid substituted by a hydroxy group at C-5. It has the role of drug metabolite . It has the role of mouse metabolite . It has the role of human metabolite . It is a conjugate acid of (5-hydroxyindol-3-yl)acetate . It is also related to or classified as indole-3-acetic acids .
The molecule C=1C(=CC=CC1)[C@H](CCCl)O C=1C(=CC=CC1)[C@H](CCCl)O is (S)-3-chloro-1-phenyl-1-propanol. It is also related to or classified as aromatic alcohol  . It is also related to or classified as organochlorine compound  .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside that is oscr#34 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is oscr#34 . Its functional parent is (3R)-3,19-dihydroxynonadecanoic acid . It is a conjugate acid of bhos#34(1-) . It is also related to or classified as monocarboxylic acid , 3-hydroxy carboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)CO)=O)/CC/C=C(\C)/CO C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)CO)=O)/CC/C=C(\C)/CO is A class I yanuthone that is 22-deacetoxyyanuthone A in which one of the hydrogens of the trans-terminal methyl groups of the sesquiterpenoid side-chain has been replaced by a hydroxy group. It has the role of Aspergillus metabolite . Its functional parent is 22-deacetylyanuthone A . It is also related to or classified as class I yanuthone , triol .
The molecule CO[C@H]1C[C@H](C)[C@@H](OC)C2=CC(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC)C2=O CO[C@H]1C[C@H](C)[C@@H](OC)C2=CC(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC)C2=O is A 19-membered macrocyle incorporating a benzoquinone ring and a lactam functionality. It is an ansamycin antibiotic that induces apoptosis and displays antitumour effects. It has the role of herbicide . It has the role of antimicrobial agent . It has the role of tyrosine kinase inhibitor . It has the role of Hsp90 inhibitor . It has the role of apoptosis inducer . It is also related to or classified as 1,4-benzoquinones  . It is also related to or classified as lactam  . It is also related to or classified as macrocycle  .
The molecule [Pr+3] [Pr+3] is praseodymium(3+). It is also related to or classified as inorganic ion , praseodymium molecular entity .
The molecule [Na+].[Na+].[O-]c1c(Br)c2Oc3c(Br)c([O-])c(cc3C3(OC(=O)c4ccccc34)c2cc1[N+]([O-])=O)[N+]([O-])=O [Na+].[Na+].[O-]c1c(Br)c2Oc3c(Br)c([O-])c(cc3C3(OC(=O)c4ccccc34)c2cc1[N+]([O-])=O)[N+]([O-])=O is an organic sodium salt which is the disodium salt of eosin b diphenol. It has the role of fluorescent dye . It has the role of histological dye . It is also related to or classified as organic sodium salt .
The molecule C1C[C@H](N(C1)C(=O)[C@H](CCC(=O)O)N)C(=O)O is a dipeptide composed of L-glutamic acid and L-proline joined by a peptide linkage. It has a role as a metabolite. It derives from a L-glutamic acid and a L-proline.