anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O(C[C@@H](COC(CCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O)P(=O)(O)O O(C[C@@H](COC(CCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O)P(=O)(O)O is A 1,2-diacyl-sn-glycerol 3-phosphate (sn-phosphatidic acid) in which the acyl groups at positions 1 and 2 are specified as decanoyl and stearoyl respectively. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  . It is also related to or classified as octadecanoate ester  . It is also related to or classified as decanoate ester  . It is also related to or classified as phosphatidic acid  .
The molecule [H+] is the general name for the hydrogen nucleus, to be used without regard to the hydrogen nuclear mass (either for hydrogen in its natural abundance or where it is not desired to distinguish between the isotopes). It is a member of atomic nucleus, a monoatomic hydrogen, a monoatomic monocation and a monovalent inorganic cation.
The molecule O=C/1N[C@@H](C(=O)N\C1=C/C=2NC=NC2)[C@H](CC)C O=C/1N[C@@H](C(=O)N\C1=C/C=2NC=NC2)[C@H](CC)C is JBIR-74. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(CCC)C[C@@H](\C=C\C=C/C/C=C\C/C=C\CCCC(NCC([O-])=O)=O)OO C(CCC)C[C@@H](\C=C\C=C/C/C=C\C/C=C\CCCC(NCC([O-])=O)=O)OO is A monocarboxylic acid anion that is the conjugate base of N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]glycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)[NH+](C)C)O is an anthracycline cation that is the conjugate acid of aclacinomycin A, obtained by protonation of the tertiary amino group. It is a conjugate acid of an aclacinomycin A and an aclacinomycin A zwitterion.
The molecule CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl is a hydrochloride obtained by combining eprazinone with two molar equivalents of hydrochloric acid. It has a role as a mucolytic. It contains an eprazinone(2+).
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=NC=C4 C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=NC=C4 is N-[[(3R,9R,10R)-16-[[cyclohexyl(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCC#CC\C=C/CCCCCCCC([O-])=O CCCCCC#CC\C=C/CCCCCCCC([O-])=O is A long-chain fatty acid anion and the conjugate base of crepenynic acid, arising from deprotonation of the carboxylic acid group.  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as unsaturated fatty acid anion , straight-chain fatty acid anion .
The molecule C(C(C(=O)O)OCC(=O)O)C(=O)O is the carboxymethoxy derivative of succinic acid. It derives from a succinic acid. It is a conjugate acid of a 2-(carboxylatomethoxy)succinate(3-).
The molecule CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC is an aporphine alkaloid that is (S)-1,2,9,10-tetrahydroxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline in which the four phenolic hydrogens have been replaced by methyl groups. It has a role as a platelet aggregation inhibitor, a NF-kappaB inhibitor, an antitussive, an antibacterial agent, a muscle relaxant, an antineoplastic agent, a plant metabolite and a rat metabolite. It is an aporphine alkaloid, a polyether, an organic heterotetracyclic compound and a tertiary amino compound. It is a conjugate base of a (S)-glaucine(1+).
The molecule C[C@@H]1O[C@@H](Oc2c(oc3cc([O-])cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](Oc2c(oc3cc([O-])cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O is conjugate base of quercitrin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule [O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-] is a divalent inorganic anion obtained by removal of both protons from dichromic acid. It is a chromium oxoanion and a divalent inorganic anion. It is a conjugate base of a hydrogen dichromate.
The molecule O=C(OC)CCCCCCCCCCCCC/C=C\CCCCCCCC O=C(OC)CCCCCCCCCCCCC/C=C\CCCCCCCC is methyl cis-15-tetracosenoate. It is also related to or classified as fatty acid methyl ester  .
The molecule C(=O)(OCC)COC1=C(C=C(C(=C1)N2N=CC(=C(C2=O)C)C(F)(F)F)F)Cl C(=O)(OCC)COC1=C(C=C(C(=C1)N2N=CC(=C(C2=O)C)C(F)(F)F)F)Cl is an ethyl ester resulting from the formal condesnation of the carboxy group of flufenpyr with ethanol. It is used as a contact herbicide for the control of broad-leaved weeds. It acts as a protoporphyrinogen oxidase inhibitor, causing protoporphyrins to accumulate, damaging the membrane structure and cellular function. No longer approved for use in the European Union. It has the role of herbicide . It has the role of agrochemical . It has the role of EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor . Its functional parent is flufenpyr . It is also related to or classified as ethyl ester  .    It is also related to or classified as monofluorobenzenes  . It is also related to or classified as pyridazinone , aromatic ether , monochlorobenzenes .
The molecule [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CC([O-])=O)C([O-])=O [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CC([O-])=O)C([O-])=O is A dipeptide zwitterion resulting from transfer of protons from the carboxy groups to the amino groups of Lys-Asp; major species at pH 7.3. It is also related to or classified as dipeptide zwitterion  .
The molecule C1=CC(=CC(=C1)OCC2=C(C=C(C=C2)Cl)Cl)C=C3C(=O)N(C(=S)S3)CC(=O)O C1=CC(=CC(=C1)OCC2=C(C=C(C=C2)Cl)Cl)C=C3C(=O)N(C(=S)S3)CC(=O)O is 2-[5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule Nc1c(O)cc(O)cc1C(O)=O Nc1c(O)cc(O)cc1C(O)=O is A dihydroxybenzoic acid that is 3,5-dihydroxybenzoic acid substituted by an amino group at position 2. Its functional parent is anthranilic acid . It is also related to or classified as dihydroxybenzoic acid , substituted aniline .
The molecule CC(CC/C=C(/C)\\CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)CCOP(=O)(O)O is a dolichol phosphate. It has a role as a Saccharomyces cerevisiae metabolite and a mouse metabolite. It derives from a dolichol. It is a conjugate acid of a dolichyl phosphate(2-).
The molecule C1CN(CC2=C1NC3=C2C=C(C=C3)F)CCCC4=CN=CC=C4 is a beta-carboline that is 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole which is substituted by a 3-(pyridin-3-yl)propyl group at position 2 and a fluoro group at position 8. It has a role as an antipsychotic agent and a dopamine receptor D2 antagonist. It is a member of beta-carbolines, a member of monofluorobenzenes and a member of pyridines. It is a conjugate base of a gevotroline(1+).
The molecule O=C1NC(C(=O)N[C@@H]1[C@H](CC)C)CC=2C3=C(C=CC=C3)NC2 O=C1NC(C(=O)N[C@@H]1[C@H](CC)C)CC=2C3=C(C=CC=C3)NC2 is Cyclo-(D-Ile-L-Trp). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=CC(=CC=C1CC(C(=O)O)[NH3+])O is an alpha-amino-acid cation that is the conjugate acid of tyrosine, arising from protonation of the amino group. It is a conjugate acid of a tyrosine.
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=C(C=C3)OC 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=C(C=C3)OC is 1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-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(=C(C=C1O)[O-])C2=COC3=CC(=CC(=C3C2=O)O)O is a flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of 2'-hydroxygenistein. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 2'-hydroxygenistein.
The molecule C=C1CC(OC1=O)CCCCCCCCCC2=C(C(=CC=C2)O)O is a butan-4-olide having a methylidene group at the 3-position and a 9-(2,3-dihydroxyphenyl)nonyl substituent at the 5-position. It is a butan-4-olide and a member of catechols.
The molecule OC(=O)Cc1cccs1 OC(=O)Cc1cccs1 is A thiophene compound having a carboxymethyl group at the 2-position. It has the role of allergen . Its functional parent is acetic acid . It is a conjugate acid of thien-2-ylacetate . It is also related to or classified as monocarboxylic acid , thiophenes .
The molecule O=C(OC)CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC O=C(OC)CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC is cis-4,7,10,13,16,19-docosahexaenoic acid methyl ester. It is also related to or classified as fatty acid methyl ester  .
The molecule O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=CC=CC8C7C[C@@H]6CC5)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1[C@H](O)C(O)(C)C)O4)(C)C O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=CC=CC8C7C[C@@H]6CC5)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1[C@H](O)C(O)(C)C)O4)(C)C is Drechmerin E. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCO[C@@H]1C[C@@H]2C(=CC(=O)CC2(C)C)C3=CC(=C(C=C13)C(C)C)O is a tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has a role as a plant metabolite. It is a cyclic terpene ketone, a member of phenols, a tricyclic diterpenoid and an ether.
The molecule S(CCNC(CC[C@@H](C([O-])=O)[NH3+])=O)([O-])(=O)=O S(CCNC(CC[C@@H](C([O-])=O)[NH3+])=O)([O-])(=O)=O is an organosulfonate oxoanion resulting from the deprotonation of the sulfonic acid moiety of glutaurine zwitterion. The major species at pH 7.3. It has the role of hormone . It has the role of anxiolytic drug . It has the role of anticonvulsant . It is also related to or classified as organosulfonate oxoanion  .
The molecule CCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])O is a 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxybehenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a long-chain fatty acid anion and a 2-hydroxy fatty acid anion 22:0. It derives from a behenate. It is a conjugate base of a 2-hydroxybehenic acid.
The molecule COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O is a quinolone that consists of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents. It has a role as an antibacterial drug. It is a quinolinemonocarboxylic acid, a quinolone, a member of cyclopropanes, a pyrrolidinopiperidine, an aromatic ether, a quinolone antibiotic and a fluoroquinolone antibiotic. It is a conjugate base of a moxifloxacinium(1+).
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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)NC(=O)C)O[C@H]7[C@H]([C@H](O[C@H]([C@@H]7O)O[C@@H]8[C@H](OC([C@@H]([C@H]8O)O)O)CO)CO)O)CO)CO)O)CO)O)O)O is a branched amino octasaccharide made up from three galactose residues, two N-acetylglucosamine residues, one glucose residue and two fucose residues. It is a glucosamine oligosaccharide and an amino octasaccharide.
The molecule [H][C@@]12CC[C@](C)(O)C3=CCC(C)=C3[C@@]1([H])OC(=O)[C@H]2C [H][C@@]12CC[C@](C)(O)C3=CCC(C)=C3[C@@]1([H])OC(=O)[C@H]2C is A tricyclic sesquiterpene lactone found in wormwood. It is also related to or classified as sesquiterpene lactone .
The molecule O=C(OC)CCCCCCCCCCCCCCCCCCCCCCC O=C(OC)CCCCCCCCCCCCCCCCCCCCCCC is methyl tetracosanoate. It is also related to or classified as fatty acid methyl ester  .
The molecule CC(=O)C1=C(C2=CC=CC=C2S1)OC(=O)C3=CC=CO3 CC(=O)C1=C(C2=CC=CC=C2S1)OC(=O)C3=CC=CO3 is 2-furancarboxylic acid (2-acetyl-1-benzothiophen-3-yl) ester. Its functional parent is 2-furoic acid . It is also related to or classified as carboxylic ester  .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C is N-[(3S,9R,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC/C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O is a trans-3-enoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-3-hexenoic acid. It is a trans-3-enoyl-CoA, a medium-chain fatty acyl-CoA and a monounsaturated fatty acyl-CoA. It derives from a trans-hex-3-enoic acid. It is a conjugate acid of a trans-3-hexenoyl-CoA(4-).
The molecule S(CCNC(CC[C@@H](C([O-])=O)[NH3+])=O)(O)(=O)=O S(CCNC(CC[C@@H](C([O-])=O)[NH3+])=O)(O)(=O)=O is A dipeptide zwitterion that is glutaurine in which a proton has been transferred from the carboxy group to the alpha-amino group. It has the role of hormone . It has the role of anxiolytic drug . It has the role of anticonvulsant . It is a conjugate acid of glutaurine(1-) . It is also related to or classified as dipeptide zwitterion  .
The molecule CC1=C(C(CCC1)(C)CO)/C=C/C(=C/C=C/C(=C/C(=O)[O-])/C)/C is a retinoid anion that is the conjugate base of all-trans-16-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a retinoid anion and a hydroxy monocarboxylic acid anion. It is a conjugate base of an all-trans-16-hydroxyretinoic acid.
The molecule CO\C=C\C(=O)C1=NC2=C3C(C=NC3=C(N)C=C2NC(C)=O)=C1 CO\C=C\C(=O)C1=NC2=C3C(C=NC3=C(N)C=C2NC(C)=O)=C1 is A member of the class of pyrroloquinolines that is pyrrolo[4,3,2-de]quinoline in which the hydrogens at positions 4, 6 and 8 are replaced by (1E)-1-methoxy-3-oxoprop-1-en-3-yl, acetylamino and amino groups, respectively. It is an alkaloid isolated from Streptomyces and Salinispora species, exhibits potent immunosuppressive activity, and inhibits Fyn and Lck protein kinases. It has the role of immunosuppressive agent . It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor . It has the role of marine metabolite . It has the role of EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor . It has the role of bacterial metabolite .  It is also related to or classified as alkaloid  . It is also related to or classified as enol ether  . It is also related to or classified as primary arylamine  . It is also related to or classified as pyrroloquinoline  . It is also related to or classified as enone  . It is also related to or classified as acetamides .
The molecule CC(=CC[C@@]12C3=C(C=C(C=C3)O)O[C@@]1(C(=O)C4=C(O2)C5=C(C=C4O)O[C@@H](C5)C(=C)C)O)C is an extended flavonoid that is the 2S*-diastereomer of nigrasin E. It has been isolated from the twigs of Morus nigra. It has a role as a plant metabolite. It is an extended flavonoid, an organic heteropentacyclic compound and a polyphenol.
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(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)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3 is (3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=CC=C1C2=C(C=C(C=C2Cl)Cl)Cl)Cl is a tetrachlorobiphenyl that is 1,3,5-trichlorobenzene in which one of the hydrogens is replaced by a p-chlorophenyl group. It is a tetrachlorobiphenyl, a trichlorobenzene and a member of monochlorobenzenes.
The molecule O=C(OC)CCCCCCCCCCCCCCCCCCCCCC O=C(OC)CCCCCCCCCCCCCCCCCCCCCC is methyl tricosanoate. It is also related to or classified as fatty acid methyl ester  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC is a straight-chain alkane comprising of 26 carbon atoms. It has a role as a volatile oil component and a plant metabolite.
The molecule N[C@H](Cc1ccc(O)cc1)C([O-])=O N[C@H](Cc1ccc(O)cc1)C([O-])=O is an optically active form of tyrosinate(1-) having D-configuration. It has the role of Escherichia coli metabolite . It is a conjugate acid of D-tyrosinate(2-) . It is also related to or classified as tyrosinate(1-)  .
The molecule Cn1cccn1 Cn1cccn1 is A member of the class of  pyrazoles that is the 1-methyl derivative of 1H-pyrazole. It is also related to or classified as pyrazoles .
The molecule O=C1C=C(OC)C([C@@]1(CO)C)=C O=C1C=C(OC)C([C@@]1(CO)C)=C is (-)-nigrosporione D. It is also related to or classified as enol ether  . It is also related to or classified as enone  .
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=C(C=C3)OC 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=C(C=C3)OC is 1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-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 [C@@]12([C@]3([C@](C[C@@]1([C@]4([H])CC[C@H]([C@]4(C3)[H])C)C=O)(C=C2C(C)C)[H])CO[C@]5([C@H]([C@@H]([C@@H]([C@H](O5)C)O)O)O)[H])C(O)=O [C@@]12([C@]3([C@](C[C@@]1([C@]4([H])CC[C@H]([C@]4(C3)[H])C)C=O)(C=C2C(C)C)[H])CO[C@]5([C@H]([C@@H]([C@@H]([C@H](O5)C)O)O)O)[H])C(O)=O is A tetracyclic diterpenoid consisting of sordaricin in which the primary hydroxy hydrogen has been replaced by a 6-deoxy-beta-D-altropyranosyl group. It has the role of fungal metabolite . It is a conjugate acid of 4'-O-demethylsordarin(1-) . It is also related to or classified as aldehyde  . It is also related to or classified as glycoside  . It is also related to or classified as bridged compound , 3-oxo monocarboxylic acid , tetracyclic diterpenoid , monosaccharide derivative .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC)COP(=O)([O-])[O-] is a 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-linolenoyl-2-oleoyl-sn-glycero-3-phosphate. It is a conjugate base of a 1-linolenoyl-2-oleoyl-sn-glycero-3-phosphate.
The molecule CC1(CC[C@@H]([C@]23[C@@H]1C[C@]([C@]45[C@H]2CC[C@H]([C@H]4O)C(=C)C5=O)(OC3)O)O)C is a cyclic terpene ketone that is ent-7alpha,20-epoxy-kaur-16-en-15-one substituted with hydroxy groups at positions 1, 7 and 14 (the 1alpha,7beta,14beta stereoisomer). Isolated from the leaves of Isodon megathyrsus, it exhibits cytotoxic activity. It has a role as a metabolite and an antineoplastic agent. It is a lactol, a bridged compound and a cyclic terpene ketone. It derives from a hydride of an ent-kaurene.
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@@H](C)CO)C)CNC C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@@H](C)CO)C)CNC is 1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)[O-])O)O is an polyanionic polymer obtained by global deprotonation of the carboxy groups of pectin. It has a role as a plant metabolite. It is a conjugate base of a pectin.
The molecule O.O.O.Cl.Cl.CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12.CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12 O.O.O.Cl.Cl.CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12.CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12 is the sesquihydrate of cyproheptadine hydrochloride. Note that the drug named cyproheptadine hydrochloride generally refers to cyproheptadine hydrochloride sesquihydrate. A sedating antihistamine with antimuscarinic and calcium-channel blocking actions, it is used for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia. It has the role of H1-receptor antagonist . It has the role of serotonergic antagonist . It has the role of anti-allergic agent . It has the role of gastrointestinal drug . It has the role of antipruritic drug . It is also related to or classified as hydrate .
The molecule O=C(OC)CCCCCCCCCCC/C=C/C/C=C/CCCCC O=C(OC)CCCCCCCCCCC/C=C/C/C=C/CCCCC is cis-13,16-Docosadienoic acid methyl ester. It is also related to or classified as fatty acid methyl ester  .
The molecule C[C@H](CCCCCCC(=O)O)O is an (omega-1)-hydroxy fatty acid that is nonanoic acid in which the 8-pro-R hydrogen is replaced by a hydroxy group. It is a medium-chain fatty acid and an (omega-1)-hydroxy fatty acid. It derives from a nonanoic acid.
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC(O)(C(=O)C3=C(O)C2)CC4=CC=C(O)C=C4)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC(O)(C(=O)C3=C(O)C2)CC4=CC=C(O)C=C4)CO is Maesopsin 6-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as aurones  .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C is 4-(dimethylamino)-N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1C2=C(C[C@H](N1C([C@@H](N[C@H](C(O)=O)CCC=3C=CC=CC3)C)=O)C(O)=O)C=CC=C2 C1C2=C(C[C@H](N1C([C@@H](N[C@H](C(O)=O)CCC=3C=CC=CC3)C)=O)C(O)=O)C=CC=C2 is A dicarboxylic acid resulting from the hydrolysis of the ethyl ester group of quinapril to give the corresponding dicarboxylic acid. The active angiotensin-converting enzyme inhibitor (ACE inhibitor) of the prodrug quinapril. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor . It has the role of vasodilator agent . It has the role of antihypertensive agent . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as isoquinolines , dicarboxylic acid .
The molecule C([C@@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O is a hexonic acid that is 6-hydroxyhexanoic acid carrying a hydroxy group at positions 2S, 4S and 5R. It has a role as a human metabolite and a plant metabolite.
The molecule CCCCCC(/C=C/C(OC)OC)O is an acetal that is the methyl acetal obtained by formal condensation of the carbonyl group of (E)-4-hydroxynon-2-enal with two molar equivalents of methanol. It is an acetal and a secondary alcohol.
The molecule C[C@]12CC[C@@](C[C@H]1[C@@]3(CC=C4C(=CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)[C@]3(CC2)C)C)(C)C(=O)O is a pentacyclic triterpenoid that belongs to the group of D:C-friedooleanane type triterpenoids. It is a pentacyclic triterpenoid and a hydroxy monocarboxylic acid.