anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O is A monosaccharide derivative that is  hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. It has the role of plant metabolite . It has the role of Escherichia coli metabolite . Its functional parent is hydroquinone . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monosaccharide derivative .
The molecule COC1=NC(C)=NC(NC(=O)[N-]S(=O)(=O)C2=CC=CC=C2I)=N1 COC1=NC(C)=NC(NC(=O)[N-]S(=O)(=O)C2=CC=CC=C2I)=N1 is an organic anion that is the conjugate base of iofensulfuron resulting from the deprotonation of the N-sulfonylurea moiety: Major species at pH 7.3. It is also related to or classified as organic anion .
The molecule COc1c2occc2cc2ccc(=O)oc12 COc1c2occc2cc2ccc(=O)oc12 is A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis. It has the role of antineoplastic agent . It has the role of photosensitizing agent . It has the role of dermatologic drug . It has the role of cross-linking reagent . It has the role of plant metabolite . Its functional parent is psoralen . It is also related to or classified as psoralens , aromatic ether .
The molecule C[C@@H]1O[C@H](CC[C@@H]1O)O[C@]12C(=O)C[C@](C)(O)C[C@@]1(O)C=CC1=C2C(=O)c2ccc([C@H]3C[C@@H](O[C@H]4CC[C@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@H](O)[C@@H](C)O3)c(O)c2C1=O C[C@@H]1O[C@H](CC[C@@H]1O)O[C@]12C(=O)C[C@](C)(O)C[C@@]1(O)C=CC1=C2C(=O)c2ccc([C@H]3C[C@@H](O[C@H]4CC[C@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@H](O)[C@@H](C)O3)c(O)c2C1=O is urdamycin A. It has the role of antineoplastic agent . It is also related to or classified as angucycline antibiotic .
The molecule O=C1O[C@@](OC)(CCC(=O)OCCCC)C(=C1O)C2=CC=CC=C2 O=C1O[C@@](OC)(CCC(=O)OCCCC)C(=C1O)C2=CC=CC=C2 is 4-methoxylactone acid n-butyl ester. It is also related to or classified as fatty acid ester  .
The molecule OC(CCCCCCC/C=C\C[C@@H](CCCCCC)O)=O OC(CCCCCCC/C=C\C[C@@H](CCCCCC)O)=O is A (9Z)-12-hydroxyoctadec-9-enoic acid in which the 12-hydroxy group has R-configuration.. It is a conjugate acid of ricinoleate . It is also related to or classified as (9Z)-12-hydroxyoctadec-9-enoic acid  .
The molecule C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)O is the monoiodotyrosine that is L-tyrosine carrying an iodo-substituent at position C-3 of the benzyl group. It has a role as a human metabolite, an EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor and a mouse metabolite. It is a L-tyrosine derivative, a non-proteinogenic L-alpha-amino acid and a monoiodotyrosine. It is a tautomer of a 3-iodo-L-tyrosine zwitterion.
The molecule CCCCCCC1=CC=CO1 CCCCCCC1=CC=CO1 is A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a hexyl group. It has the role of volatile oil component . It has the role of flavouring agent . It has the role of mammalian metabolite . It has the role of human metabolite . It is also related to or classified as furans .
The molecule C1=CC=C2C(=C1)N=CC3=NOC(=O)N23 is a member of the class of oxadiazoloquinoxalines that is 1H-[1,2,4]oxadiazolo[4,3-a]quinoxaline substituted at position 1 by an oxo group. It has a role as an EC 4.6.1.2 (guanylate cyclase) inhibitor.
The molecule [H][C@]12[C@H](C)Nc3nc(N)[nH]c(=O)c3[N+]1=CN([C@@H]2C)c1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP([O-])(=O)O[C@@H](CCC([O-])=O)C([O-])=O)[C@@H](O)[C@H]2O)cc1 [H][C@]12[C@H](C)Nc3nc(N)[nH]c(=O)c3[N+]1=CN([C@@H]2C)c1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP([O-])(=O)O[C@@H](CCC([O-])=O)C([O-])=O)[C@@H](O)[C@H]2O)cc1 is A doubly-charged organophosphate oxoanion arising from deprotonation of the carboxy and phosphate OH groups of the cationic species 5,10-(methanylylidene)tetrahydromethanopterin; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as organophosphate oxoanion .
The molecule Oc1ccc(O)cc1 Oc1ccc(O)cc1 is A benzenediol comprising benzene core carrying two hydroxy substituents para to each other. It has the role of antioxidant . It has the role of cofactor . It has the role of carcinogenic agent . It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . It has the role of Escherichia coli metabolite . It has the role of skin lightening agent . It is also related to or classified as benzenediol  . It is also related to or classified as hydroquinones  .
The molecule C=1(C(=CN=C(N1)N)CC=2C=3C=CC(OC3C(=C(C2)OC)OC)C4CC4)N C=1(C(=CN=C(N1)N)CC=2C=3C=CC(OC3C(=C(C2)OC)OC)C4CC4)N is an aminopyrimidine that is 5-methylpyrimidine-2,4-diamine in which one of the hydrogens of the methyl group has been replaced by a 2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl group. It is also related to or classified as chromenes , aminopyrimidine , cyclopropanes .
The molecule CCCCCCC[C@@H](O)C([O-])=O CCCCCCC[C@@H](O)C([O-])=O is the anion of (R)-2-hydroxynonanoic acid. Its functional parent is nonanoate . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C is A cyclic nonribosomal peptide of eleven amino acids; an immunosuppressant drug widely used in post-allogeneic organ transplant to reduce the activity of the patient's immune system, and therefore the risk of organ rejection. Also causes reversible inhibition of immunocompetent lymphocytes in the G0- and G1-phase of the cell cycle. It has the role of anticoronaviral agent . It has the role of geroprotector . It has the role of metabolite . It has the role of immunosuppressive agent . It has the role of antifungal agent . It has the role of antirheumatic drug . It has the role of EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor . It has the role of anti-asthmatic drug . It has the role of dermatologic drug . It has the role of carcinogenic agent . It is also related to or classified as homodetic cyclic peptide .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCC(=O)O)O)O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 12-hydroxydodecanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a monocarboxylic acid and an omega-hydroxy fatty acid ascaroside. It derives from a 12-hydroxylauric acid. It is a conjugate acid of an oscr#20(1-).
The molecule C[C@H]([C@@H](C1=CC=CC=C1)O)N is an amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group. A decongestant and appetite suppressant, it is commonly used in prescription and over-the-counter cough and cold preparations. It has a role as a sympathomimetic agent and a nasal decongestant.
The molecule [H][C@]12N=C(\C(C)=C3/N=C(/C=C4\N=C(\C(C)=C5/N[C@]1(C)[C@@](C)(CC(O)=O)[C@@H]5CCC(O)=O)[C@@](C)(CC(O)=O)[C@@H]4CCC(O)=O)C(C)(C)[C@@H]3CCC(O)=O)[C@](C)(CCC(O)=O)[C@H]2CC(O)=O [H][C@]12N=C(\C(C)=C3/N=C(/C=C4\N=C(\C(C)=C5/N[C@]1(C)[C@@](C)(CC(O)=O)[C@@H]5CCC(O)=O)[C@@](C)(CC(O)=O)[C@@H]4CCC(O)=O)C(C)(C)[C@@H]3CCC(O)=O)[C@](C)(CCC(O)=O)[C@H]2CC(O)=O is hydrogenobyrinic acid. It is a conjugate acid of hydrogenobyrinate(6-) . It is a conjugate acid of hydrogenobyrinate(4-) . It is also related to or classified as precorrin .
The molecule C=1(C(=C(C2=C(C1[C@@H]3[C@@H]([C@@H]([C@H](CO3)O)O)O)OC(=CC2=O)C4=CC=C(C=C4)O)O)[C@H]5[C@@H]([C@@H]([C@H](CO5)O)O)O)O C=1(C(=C(C2=C(C1[C@@H]3[C@@H]([C@@H]([C@H](CO3)O)O)O)OC(=CC2=O)C4=CC=C(C=C4)O)O)[C@H]5[C@@H]([C@@H]([C@H](CO5)O)O)O)O is A flavone C-glycoside that consists of apigenin carrying alpha-L-arabinosyl and beta-L-arabinosyl groups at positions 6 and 8 respectively. It has the role of plant metabolite . Its functional parent is apigenin . It is also related to or classified as polyphenol , trihydroxyflavone , flavone C-glycoside .
The molecule P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(O)(O)=O P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(O)(O)=O is 9,12,15-Octadecatrienoic acid 1-[(phosphonoxy)methyl]-1,2-ethanediyl ester. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .
The molecule P(=O)([O-])(OCC[N+](C)(C)C)OC[C@@H](CO)OC(CCC/C=C\C[C@H]1[C@@H]2C[C@H]([C@@H]1/C=C/[C@H](CCCCC)O)OO2)=O P(=O)([O-])(OCC[N+](C)(C)C)OC[C@@H](CO)OC(CCC/C=C\C[C@H]1[C@@H]2C[C@H]([C@@H]1/C=C/[C@H](CCCCC)O)OO2)=O is A prostanoid-LPC that is the ammonium betaine of a 2-(prostaglandin H2)-sn-glycero-3-phosphocholine arising from deprotonation of the phosphate OH group; major species at pH 7.3. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . Its functional parent is prostaglandin H2 . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as oxidized 2-acyl-sn-glycero-3-phosphocholine zwitterion  . It is also related to or classified as prostanoid  . It is also related to or classified as 2-acyl-sn-glycero-3-phosphocholine  .
The molecule O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3NC(=O)[C@](O)(CC4=CC(O)=CC=C4)N(C3=O)C)=CC=C1 O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3NC(=O)[C@](O)(CC4=CC(O)=CC=C4)N(C3=O)C)=CC=C1 is De-12-N-methyl-thaxtomin A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule S([C@@]1(N(C(=O)[C@@]2(SC)C[C@@]3([C@H](N2C1=O)[C@@H](OC(=O)C)C(=O)C=C3)O)C)CO)C S([C@@]1(N(C(=O)[C@@]2(SC)C[C@@]3([C@H](N2C1=O)[C@@H](OC(=O)C)C(=O)C=C3)O)C)CO)C is Dichocerazine B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC[C@H]1OC(OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1OC(OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O is A D-galactose phosphate that consists of  D-galactopyranose having a single phospho substituent located at the 1-position. It is an intermediate obtained during the the galactose metabolism. It has the role of human metabolite . It has the role of fundamental metabolite . Its functional parent is D-galactose . Its functional parent is aldehydo-D-galactose . It is also related to or classified as galactose phosphate .
The molecule COc1cc(\C=C\CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O COc1cc(\C=C\CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A monosaccharide derivative that is  coniferol attached to a  beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. It has the role of plant metabolite . Its functional parent is coniferol . It is also related to or classified as cinnamyl alcohol beta-D-glucoside , aromatic ether , monosaccharide derivative .
The molecule CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC is a capsaicinoid. It has a role as a non-narcotic analgesic, a voltage-gated sodium channel blocker and a TRPV1 agonist.
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\\CCCCCC)OC(=O)CCCCCCCCCCCCCCC is a triglyceride in which the acyl groups at positions 1 and 2 are specified as palmitoyl while that at position 3 is specified as palmitoleoyl. It derives from a hexadecanoic acid and a palmitoleic acid.
The molecule OC(=O)CN1C(CN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O)CCCCNC(=O)CCN2C(=O)C=CC2=O OC(=O)CN1C(CN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O)CCCCNC(=O)CCN2C(=O)C=CC2=O is 2-[4,7,10-Tris(carboxymethyl)-6-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule OC1=C(C(O)=CC(=C1)C)C OC1=C(C(O)=CC(=C1)C)C is Beta-Orcinol. It is also related to or classified as xylene  . It is also related to or classified as phenols  .
The molecule CC[C@H](C)[C@@H](O)C(O)=O CC[C@H](C)[C@@H](O)C(O)=O is A valeric acid derivative having an (R)-hydroxy substituent at the 2-position and an (S)-methyl substituent at the 3-position; one of 4 steroisomers of 2-hydroxy-3-methylpentanoic acid, generated by isoleucine metabolism. Found at significantly higher levels than normal in patients with maple syrup urine disease (MSUD). Its functional parent is valeric acid . It is a conjugate acid of (2R,3S)-2-hydroxy-3-methylpentanoate . It is also related to or classified as 2-hydroxy-3-methylpentanoic acid  . It is also related to or classified as (2R)-2-hydroxy monocarboxylic acid  .
The molecule P(=O)([O-])(OCC[N+](C)(C)C)OC[C@@H](CO)OC(CCC/C=C\C[C@H]1[C@@H]2C[C@H]([C@@H]1/C=C/[C@H](CCCCC)OO)OO2)=O P(=O)([O-])(OCC[N+](C)(C)C)OC[C@@H](CO)OC(CCC/C=C\C[C@H]1[C@@H]2C[C@H]([C@@H]1/C=C/[C@H](CCCCC)OO)OO2)=O is A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as (9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . Its functional parent is prostaglandin G2 .  It is also related to or classified as oxidized 2-acyl-sn-glycero-3-phosphocholine zwitterion  . It is also related to or classified as prostanoid  . It is also related to or classified as 2-acyl-sn-glycero-3-phosphocholine  . It is also related to or classified as hydroperoxy fatty ester .
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC is a phosphatidylcholine 42:0 in which the acyl groups specified at positions 1 and 2 are docosanoyl and eicosanoyl respectively. It derives from a docosanoic acid and an icosanoic acid.
The molecule Oc1cccc(Cl)c1 Oc1cccc(Cl)c1 is A monochlorophenol carrying the chloro substituent at position 3. It is also related to or classified as monochlorophenol  .
The molecule COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1O COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1O is columbamine. It is also related to or classified as berberine alkaloid , organic heterotetracyclic compound .
The molecule CCCCC[C@@H]1[C@@H](O1)C/C=C\\C=C\\[C@H](C/C=C\\CCCC(=O)O)OO is a hydroperoxy fatty acid that is (14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoic acid in which the hydroperoxy group is located at position 8S. It has a role as a human xenobiotic metabolite and a mouse metabolite. It is a conjugate acid of an (8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoate.
The molecule CC1=C(C(CCC1=O)(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 glucosiduronic acid anion that is the conjugate base of 1-O-(4-oxoretinoyl)-beta-D-glucuronic acid arising from deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 1-O-(4-oxoretinoyl)-beta-D-glucuronic acid.
The molecule O1C(C(O)CC=2C1=[N+](C3=C(C2OC)C=C(O)C=C3)C)(C)C O1C(C(O)CC=2C1=[N+](C3=C(C2OC)C=C(O)C=C3)C)(C)C is Rutalinium. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule C1(=C(C(C2=C(C=C(C=C2O1)OC)O)=O)OC)C3=CC(=C(OC)C=C3)OC C1(=C(C(C2=C(C=C(C=C2O1)OC)O)=O)OC)C3=CC(=C(OC)C=C3)OC is A monohydroxyflavone that is 5-hydroxyflavone which is substituted by methoxy groups at positions 3,3',4' and 7. It has the role of plant metabolite . It is a conjugate acid of 5-hydroxy-3,3',4',7-tetramethoxyflavone(1-) . It is also related to or classified as 3'-methoxyflavones  . It is also related to or classified as monohydroxyflavone , tetramethoxyflavone .
The molecule P(=O)([O-])(OCC[NH3+])OC[C@@H](CO)OC(CCC/C=C\C[C@H]1[C@@H]2C[C@H]([C@@H]1/C=C/[C@H](CCCCC)O)OO2)=O P(=O)([O-])(OCC[NH3+])OC[C@@H](CO)OC(CCC/C=C\C[C@H]1[C@@H]2C[C@H]([C@@H]1/C=C/[C@H](CCCCC)O)OO2)=O is A 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is also related to or classified as oxidized 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  .
The molecule CC1=CC(=C(C=C1)C=CC(=O)NCC2=CC=CS2)C CC1=CC(=C(C=C1)C=CC(=O)NCC2=CC=CS2)C is 3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
The molecule OC[C@@H](O)[C@@H]1O[C@H](O[C@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O OC[C@@H](O)[C@@H]1O[C@H](O[C@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O is A galactobiose consisting of an alpha-D-galactofuranose residue and a beta-D-galactopyrannose residue joined in sequence by a (1->2) glycosidic bond. It is also related to or classified as galactobiose .
The molecule OC(=O)C1=CC=NC=C1C(O)=O OC(=O)C1=CC=NC=C1C(O)=O is cinchomeronic acid. It is a conjugate acid of cinchomeronate(1-) . It is also related to or classified as pyridinedicarboxylic acid .
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 is an N-glycosyl in which (8R)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol is attached to ribofuranose via a beta-N(3)-glycosidic bond. compound The parent of the class of coformycins. It has the role of EC 3.5.4.4 (adenosine deaminase) inhibitor . It is also related to or classified as coformycins .
The molecule CCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O)O is a mannosylated ceramide phosphoinositol compound having a tetracosanoyl group attached to the ceramide nitrogen, with hydroxylation at C-2 of the very-long-chain fatty acid. It has a role as a Saccharomyces cerevisiae metabolite. It derives from an Ins-1-P-Cer(d18:0/2-OH-24:0). It is a conjugate acid of a Man-beta1-2-Ins-1-P-Cer(d18:0/2-OH-24:0)(1-).
The molecule O=C(C1=C(O)C(=C(O)C=C1OC)CCO)/C=C/C O=C(C1=C(O)C(=C(O)C=C1OC)CCO)/C=C/C is (E)-1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]but-2-en-1-one. It is also related to or classified as alcohol  . It is also related to or classified as phenols  .
The molecule O(C(=O)CCCCCC(C)C)CC1=CC(OC)=C(O)C=C1 O(C(=O)CCCCCC(C)C)CC1=CC(OC)=C(O)C=C1 is Nordihydrocapsiate. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O)O is a chlorocatechol that is catechol in which all of the hydrogens attached to the benzene ring are replaced by chlorines. It is a chlorocatechol and a tetrachlorobenzene. It derives from a 1,2,3,4-tetrachlorobenzene.
The molecule C1(=C(C(C2=C(C=C(C=C2O1)OC)[O-])=O)OC)C3=CC(=C(OC)C=C3)OC C1(=C(C(C2=C(C=C(C=C2O1)OC)[O-])=O)OC)C3=CC(=C(OC)C=C3)OC is A flavonoid oxoanion resulting from the deprotonation of the hydroxy group of 5-hydroxy-3,3',4',7-tetramethoxyflavone. The major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule C=1(C(=C(C(=C2C1OC(=CC2=O)C3=CC=C(C(=C3)OC)O)O)[C@@H]4OC[C@@H]([C@@H]([C@H]4O)O)O)O)[C@H]5OC[C@@H]([C@@H]([C@H]5O)O)O C=1(C(=C(C(=C2C1OC(=CC2=O)C3=CC=C(C(=C3)OC)O)O)[C@@H]4OC[C@@H]([C@@H]([C@H]4O)O)O)O)[C@H]5OC[C@@H]([C@@H]([C@H]5O)O)O is A flavone C-glycoside that consists of chrysoeriol carrying alpha-L-arabinosyl and beta-L-arabinosyl groups at positions 6 and 8 respectively. It has the role of plant metabolite . Its functional parent is 4',5,7-trihydroxy-3'-methoxyflavone . It is also related to or classified as monomethoxyflavone  . It is also related to or classified as polyphenol , trihydroxyflavone , flavone C-glycoside .
The molecule C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=CO4 C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=CO4 is 2-(2-furanyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule P(=O)([O-])(OCC[NH3+])OC[C@@H](CO)OC(CCC/C=C\C[C@H]1[C@@H]2C[C@H]([C@@H]1/C=C/[C@H](CCCCC)OO)OO2)=O P(=O)([O-])(OCC[NH3+])OC[C@@H](CO)OC(CCC/C=C\C[C@H]1[C@@H]2C[C@H]([C@@H]1/C=C/[C@H](CCCCC)OO)OO2)=O is A 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-[(9S,11R)-epidioxy-15(S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is also related to or classified as oxidized 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  .
The molecule CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1 CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1 is A  propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydoxy is substituted by a 4-[2-(cyclopropylmethoxy)ethyl]phenyl group and one of the hydrogens attached to the amino group is substituted by isopropyl. It is a selective  beta1-receptor blocker and is used in the treatment of glaucoma as well as hypertension, arrhythmias, and coronary heart disease. It is also used to reduce non-fatal cardiac events in patients with heart failure. It has the role of beta-adrenergic antagonist . It has the role of antihypertensive agent . It has the role of sympatholytic agent . It is also related to or classified as propanolamine  .
The molecule [H]C1(CCC2C3=CCC4CC(O)CCC4(C)C3(O)CCC12C)C(C)CCCC(C)C [H]C1(CCC2C3=CCC4CC(O)CCC4(C)C3(O)CCC12C)C(C)CCCC(C)C is astropectenol D. It has the role of animal metabolite . It has the role of marine metabolite .  It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as C27-steroid , 9-hydroxy steroid .
The molecule CCCCCCC[C@@H](O)C(O)=O CCCCCCC[C@@H](O)C(O)=O is A nine-carbon straight-chain (2R)-2-hydroxy monocarboxylic acid. Its functional parent is nonanoic acid . It is a conjugate acid of (R)-2-hydroxynonanoate . It is also related to or classified as 2-hydroxy fatty acid  . It is also related to or classified as (2R)-2-hydroxy monocarboxylic acid  .
The molecule CC1=C(N(N=C1C(=O)NN1CCS(=O)(=O)CC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(C=C1)C#CCCC#N CC1=C(N(N=C1C(=O)NN1CCS(=O)(=O)CC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(C=C1)C#CCCC#N is A member of the class of pyrazoles that is 1H-pyrazole substituted by 2,4-dichlorophenyl, N-(1,1-dioxidothiomorpholin-4-yl)aminoacyl, methyl, and 4-(4-cyanobut-1-yn-1-yl)phenyl groups at positions 1, 3, 4 and 5, respectively. It is a cannabinoid receptor 1 antagonist and a potential appetite suppressant. It has the role of appetite depressant . It has the role of CB1 receptor antagonist . It has the role of anti-obesity agent . It is also related to or classified as nitrile  . It is also related to or classified as dichlorobenzene  .  It is also related to or classified as carbohydrazide  . It is also related to or classified as sulfone  . It is also related to or classified as pyrazoles , thiomorpholines , arylacetylene .
The molecule COc1c(CC=C(C)C)c(O)c(C(CC(C)C)c2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c(O)c1C(C)=O COc1c(CC=C(C)C)c(O)c(C(CC(C)C)c2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c(O)c1C(C)=O is A polyphenol that is isolated from Acronychia pedunculata and exhibits moderate antioxidant and antityrosinase activities. It has the role of antioxidant . It has the role of EC 1.14.18.1 (tyrosinase) inhibitor . It has the role of plant metabolite . It is also related to or classified as acetophenones , polyphenol , aromatic ether , olefinic compound .