anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC/C=C\\CCCCCCCC)O is a 1-alkyl-3-acylglycerol in which the alkyl and acyl groups are specified as palmityl (hexadecyl) and oleoyl. It derives from an oleic acid and a 1-O-palmitylglycerol.
The molecule C[C@@H]1CC([C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1)OC(=O)C is an organic heterohexacyclic compound that is soladulcidine carrying an acetoxy substituent at position 23 It has a role as a mouse metabolite and a rat metabolite. It is an azaspiro compound, an oxaspiro compound, a 3beta-hydroxy steroid, an acetate ester and an organic heterohexacyclic compound.
The molecule C=12C(=NC(=NC1O)N)N=CN2C C=12C(=NC(=NC1O)N)N=CN2C is A 7-methylguanine that is 7H-purine substituted by an amino group at position 2, a methyl group at position 7 and a hydroxy group at position 6. It is also related to or classified as 7-methylguanine  .
The molecule COc1ccc(\C=C\C(O)=O)cc1OC COc1ccc(\C=C\C(O)=O)cc1OC is A methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively. Its functional parent is trans-cinnamic acid . It is a conjugate acid of 3,4-dimethoxy-(E)-cinnamate . It is also related to or classified as methoxycinnamic acid .
The molecule Cc1cnc2c(CCc3cc(Cl)ccc3C2=C2CCN(CC2)C(=O)Cc2ccncc2)c1 Cc1cnc2c(CCc3cc(Cl)ccc3C2=C2CCN(CC2)C(=O)Cc2ccncc2)c1 is A benzocycloheptapyridine that consists of 8-chloro-3-methyl-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine bearing a 1-(pyridin-4-ylacetyl)piperidin-4-ylidene group at position 11.  It is also related to or classified as organochlorine compound  . It is also related to or classified as pyridines , N-acylpiperidine , benzocycloheptapyridine .
The molecule C=1(C=C(C(=C(C1C)O)C=O)CC(C)=O)O C=1(C=C(C(=C(C1C)O)C=O)CC(C)=O)O is A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogens at positions 3 and 6 have been replaced by a methyl and 2-oxopropyl groups, respectively. It has the role of antibacterial agent . It has the role of Aspergillus metabolite . It is also related to or classified as polyketide  . It is also related to or classified as dihydroxybenzaldehyde  . It is also related to or classified as methyl ketone .
The molecule CCCN(CC)C(CC)C(=O)NC1=C(C=CC=C1C)C is an amino acid amide in which 2-[ethyl(propyl)amino]butanoic acid and 2,6-dimethylaniline have combined to form the amide bond. Used as a local anaesthetic (amide caine), it has rapid onset and long action properties, similar to bupivacaine, and is given by injection during surgical procedures and during labour and delivery. It has a role as a local anaesthetic.
The molecule C1=CC(=C(C=C1[C@H]2OC3=C4[C@@H]2C5=CC(=C(C6=CC(=C(C=C6/C=C/C7=CC8=C([C@H](C9=CC(=C(C1=CC(=C(C=C1/C=C/C(=C3)OC4=O)O)O)C(=O)O9)O)[C@H](O8)C1=CC(=C(C=C1)O)O)C(=O)O7)O)O)C(=O)O5)O)O)O is a macrocycle isolated from the fungus Phellinus igniarius and has been shown to exhibit antioxidant activity. It has a role as an antioxidant and a fungal metabolite. It is a polyphenol, a furopyran, a delta-lactone and a macrocycle.
The molecule [C@@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O is a myo-inositol pentakisphosphate comprising 1D-myo-inositol having the five phosphate groups placed in the 1-' 2-' 4-, 5- and 6-positions. It derives from a myo-inositol. It is a conjugate acid of a 1D-myo-inositol 1,2,4,5,6-pentakisphosphate(10-).
The molecule [C@H](OC(CCCCCCCCCCCCC)=O)(COP(OCC(COP(OC[C@H](OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)([O-])=O)O)([O-])=O)COC(CCCCCCCCCCCCC)=O [C@H](OC(CCCCCCCCCCCCC)=O)(COP(OCC(COP(OC[C@H](OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)([O-])=O)O)([O-])=O)COC(CCCCCCCCCCCCC)=O is A cardiolipin(2-) that is the conjugate base of tetramyristoyl cardiolipin obtained by deprotonation of the phosphate OH groups; major species at pH 7.3. It is also related to or classified as cardiolipin(2-)  .
The molecule C(C1=CC=2C(C(O1)=O)=C(C=C(C2)O)O)C(C)=O C(C1=CC=2C(C(O1)=O)=C(C=C(C2)O)O)C(C)=O is A member of the class of isocoumarins that is 1H-isochromen-1-one substituted by a 2-oxopropyl group at position 3 and by hydroxy groups at positions 6 and 8. It has the role of Aspergillus metabolite . It is also related to or classified as phenols  . It is also related to or classified as isocoumarins , methyl ketone , hexaketide .
The molecule CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)CC3=CC=CC=C3)C)OC)C CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)CC3=CC=CC=C3)C)OC)C is 1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(phenylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1[C@@H](OC2=C3[C@@H](OC)C[C@@H](OC3=C(C(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)=C2C)C)C5=CC=C(OC)C=C5)C(O)[C@@H](O)[C@H](O)C1CO O1[C@@H](OC2=C3[C@@H](OC)C[C@@H](OC3=C(C(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)=C2C)C)C5=CC=C(OC)C=C5)C(O)[C@@H](O)[C@H](O)C1CO is Eruberin C. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3 is N-[(3R,9S,10R)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-12-[(2R)-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]-4,4,4-trifluorobutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)(S)C(N)C(O)=O CC(C)(S)C(N)C(O)=O is an alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group. It is also related to or classified as thiol  . It is also related to or classified as non-proteinogenic alpha-amino acid .
The molecule C1=CC2=C(C(=C1)OP(=O)(O)O)C(=CN2)CCN is a tryptamine alkaloid that is tryptamine carrying an additional phosphoryloxy substituent at position 4. It has a role as a fungal metabolite and a hallucinogen. It is an organic phosphate, a tryptamine alkaloid and a primary amino compound. It derives from a tryptamine. It is a conjugate acid of a norbaeocystin(1-).
The molecule CCCCCCCCCCCCCCCCCCCC(=O)[O-] is a long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of icosanoic acid (arachidic acid). It has a role as a human metabolite. It is a long-chain fatty acid anion, a fatty acid anion 20:0 and a 2-saturated fatty acid anion. It is a conjugate base of an icosanoic acid.
The molecule CC(=O)C1=C(C=C(C=C1O)O)O is a benzenetriol that is acetophenone in which the hydrogens at positions 2, 4, and 6 on the phenyl group are replaced by hydroxy groups. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of acidic glycans and glycopeptides. It has a role as a MALDI matrix material and a plant metabolite. It is a methyl ketone, a benzenetriol and an aromatic ketone.
The molecule [23Na] [23Na] is the stable isotope of sodium with relative atomic mass 22.989770, 100 atom percent natural abundance and nuclear spin 3/2. It is also related to or classified as sodium atom  .
The molecule [H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C [H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C is A prednisolone compound having an alpha-chloro substituent at the 7-position, an alpha-methyl substituent at the 16-position and O-propanoyl groups at the 17- and 21-positions. It has the role of anti-inflammatory drug . Its functional parent is prednisolone .  It is also related to or classified as 11beta-hydroxy steroid  . It is also related to or classified as propanoate ester  .   It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 20-oxo steroid , steroid ester , chlorinated steroid .
The molecule FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl is A benzamide obtained by formal condensation of the carboxy group of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid with the amino group of 3,5-dichloropyridin-4-amine. Used for treatment of bronchial asthma and chronic obstructive pulmonary disease. It has the role of anti-asthmatic drug . It has the role of phosphodiesterase IV inhibitor .   It is also related to or classified as organofluorine compound  . It is also related to or classified as benzamides , aromatic ether , chloropyridine , cyclopropanes .
The molecule CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NOC(=C3)C4CC4 CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NOC(=C3)C4CC4 is N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-cyclopropyl-3-isoxazolecarboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule OC[C@H](COP(O)(=O)OC[C@@H](CO)O)OC(CCCCCCC/C=C\CCCCCCCC)=O OC[C@H](COP(O)(=O)OC[C@@H](CO)O)OC(CCCCCCC/C=C\CCCCCCCC)=O is A member of the class of glycerophosphoglycerols obtained by formal condensation of the carboxy group of oleic acid with one of the secondary hydroxy groups of (R,R)-glycero-1-phospho-1'-glycerol. Its functional parent is oleic acid . It is a conjugate acid of (R,R)-2-oleoylglycero-1-phospho-1'-glycerol(1-) . It is also related to or classified as glycerophosphoglycerols .
The molecule CC1(CCC=C(C1)[C@H]2CCC(=CC2)C=O)C is a sesquiterpenoid that is (S)-beta-macrocarpen-15-ol in which the hydroxy group has been oxidised to an aldehyde group. The second step in the biosynthesis of the sesquiterpene phytoalexin zealexin A1 from (S)-beta-macrocarpene in maize. It is a sesquiterpenoid and an aldehyde. It derives from a (S)-beta-macrocarpen-15-ol.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)OP(=O)(O)O)O)C(=O)O)O)O is an amino disaccharide consisting of a 3-deoxy-5-O-phosphono-D-manno-oct-2-ulose residue attached to beta-glucosamine via an alpha-(2->6)-linkage with an O-allyl group at the anomeric centre. It is an amino disaccharide and a glucosamine oligosaccharide.
The molecule [H]C(C)=C(N)C([O-])=O [H]C(C)=C(N)C([O-])=O is conjugate base of 2-aminobut-2-enoic acid. It is also related to or classified as alpha-amino-acid anion .
The molecule [O-]C(=O)CC1=C2C=CC=CC2=CC=C1 [O-]C(=O)CC1=C2C=CC=CC2=CC=C1 is A monocarboxylic acid anion that is the conjugate base of 1-naphthaleneacetic acid, arising from the deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule C1=CC(=CC(=C1C(=O)O)C=2OC(=CC2)/C=C/3\C(N(N=C3C4=CC=CC=C4)C5=CC=C(C=C5)C(C)C)=O)Cl C1=CC(=CC(=C1C(=O)O)C=2OC(=CC2)/C=C/3\C(N(N=C3C4=CC=CC=C4)C5=CC=C(C=C5)C(C)C)=O)Cl is 4-Chloro-2-[5-[(Z)-[5-oxo-3-phenyl-1-(4-propan-2-ylphenyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid. It has the role of anticoronaviral agent . It is also related to or classified as diarylheptanoid .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O[C@H]3[C@H](O)[C@@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]5CO)O[C@@H]4CO)[C@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O[C@H]3[C@H](O)[C@@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](C)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]5CO)O[C@@H]4CO)[C@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino decasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc in which the mannosyl group is substituted at position 3 by an alpha-L-Fuc-(1->3)-[beta-D-GalNAc-(1->4)]-beta-D-GlcNAc-(1->2)-alpha-D-Man group and at position 6 by a beta-D-GalNAc-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man group. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino decasaccharide .
The molecule O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(=O)NC(CCCN=C(N)N)C(O)=O)C)[H])[H])C O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(=O)NC(CCCN=C(N)N)C(O)=O)C)[H])[H])C is Arginine conjugated cholic acid. It is also related to or classified as bile acid glycine conjugate .
The molecule O1[C@@]23[C@]([C@]4([C@]([C@]5([C@@]([C@](CC5)([C@@H](C/C=C/C(O)(C)C)C)[H])(CC4)C)C)(C=C2)[H])C1)(CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C3(C)C)[H] O1[C@@]23[C@]([C@]4([C@]([C@]5([C@@]([C@](CC5)([C@@H](C/C=C/C(O)(C)C)C)[H])(CC4)C)C)(C=C2)[H])C1)(CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C3(C)C)[H] is Momordicoside I.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule OCC(=O)[C@@H](O)CC(=O)C(O)=O OCC(=O)[C@@H](O)CC(=O)C(O)=O is 3-deoxy-D-glycero-hexo-2,5-diulosonic acid. Its functional parent is hexanoic acid . It is a conjugate acid of 3-deoxy-D-glycero-hexo-2,5-diulosonate . It is also related to or classified as dioxo monocarboxylic acid .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F is 1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-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 [H]C(=O)CCC [H]C(=O)CCC is A member of the class of  butanals that consists of propane bearing a formyl substituent at the 1-position. The parent of the class of butanals. It has the role of biomarker . It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is also related to or classified as butanals .
The molecule C1=CN(C=C(C1=O)O)C[C@@H](C(=O)[O-])[NH3+] is an amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of L-mimosine; major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a tautomer of a L-mimosine.
The molecule CC(C)CCCCCCCCNS(=O)(=O)[O-] is an organic sulfamate oxoanion that is the conjugate base of (9-methyldecyl)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 a (9-methyldecyl)sulfamic acid.
The molecule C[C@@]1(C(=O)[C@H](CO1)O)O is a tetrahydrofuranone that is tetrahydrofuran-3-one substituted at positions 2 and 4 by hydroxy groups and at position 2 by a methyl group. It is a tetrahydrofuranone, a diol and a secondary alpha-hydroxy ketone.
The molecule C[C@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C#N)C)OC C[C@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C#N)C)OC is LSM-39679. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CN=CC=C3 C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CN=CC=C3 is 2-methoxy-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(3-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCCCCCC(O)C([O-])=O CCCCCCCCCCCCCCCCCCCCC(O)C([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. Its functional parent is behenate . It is also related to or classified as 2-hydroxy fatty acid anion 22:0  . It is also related to or classified as long-chain fatty acid anion  .
The molecule CC(CC(=O)C(=O)[O-])O is a 2-oxo monocarboxylic acid corresponding to the conjugate base of 4-hydroxy-2-oxopentanoic acid; major species at pH 7.3. It is a hydroxy monocarboxylic acid anion and an oxo monocarboxylic acid anion. It is a conjugate base of a 4-hydroxy-2-oxopentanoic acid.
The molecule C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)N4CCCC4 is a pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted at position 4 by a methyl[(3R,4R)-4-methyl-1-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]nitrilo group. It is a potent JAK3-selective chemical probe. It has a role as an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is a pyrrolopyrimidine, a tertiary amino compound, a N-acylpiperidine and a N-acylpyrrolidine.
The molecule OC[C@H](COP(O)(=O)OC[C@@H](CO)OC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O OC[C@H](COP(O)(=O)OC[C@@H](CO)OC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O is A lysobisphosphatidic acid with (R,R)-configuration in which both acyl groups are specified as oleoyl and are located at the 2 and 2'-positions. Its functional parent is oleic acid . It is a conjugate acid of (R,R)-bis(2-oleoylglycero)-3-phosphate(1-) . It is also related to or classified as lysobisphosphatidic acid .
The molecule CCCCCCCC/C=C\\CCCCCCCCCCCCO is a long-chain fatty alcohol that is (13Z)-docosene in which one of the terminal methyl hydrogens at position 1 is replaced by a hydroxy group It is a long-chain primary fatty alcohol and a fatty alcohol 22:1.
The molecule C(C#N)NCC(=O)[O-] is an alpha-amino-acid anion that is the conjugate base of N-(cyanomethyl)glycine, obtained by deprotonation of the carboxy group. It is a conjugate base of a N-(cyanomethyl)glycine.
The molecule CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(=O)[O-] is a long-chain fatty acid anion that is the conjugate base of 5-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as an anti-inflammatory agent, a hypoglycemic agent and a human metabolite. It is a conjugate base of a 5-PAHSA.
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C is N-[(4S,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule S([C@]12NC(=O)[C@](C)(NC1=O)C3=C(C2)C4=C(C=CC=C4)N3)C S([C@]12NC(=O)[C@](C)(NC1=O)C3=C(C2)C4=C(C=CC=C4)N3)C is Lasiodipline F. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .
The molecule C1CCN(C(C1)C2=CN=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)F C1CCN(C(C1)C2=CN=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)F is 4-fluoro-N-[[2-(3-pyridinyl)-1-piperidinyl]-sulfanylidenemethyl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule C1(=O)C=C(C2=CC=C(C=C2)O)OC3=C1C=CC(=C3O)OC C1(=O)C=C(C2=CC=C(C=C2)O)OC3=C1C=CC(=C3O)OC is 4',8-dihydroxy-7-methoxyflavone. It is also related to or classified as monomethoxyflavone  . It is also related to or classified as dihydroxyflavone .
The molecule O[C@@](CCCCC)(/C(=C/C(=C(\C/C(=C(\C/C(=C(\CCCC(O)=O)/[2H])/[2H])/[2H])/[2H])/[2H])/[2H])/[2H])[2H] O[C@@](CCCCC)(/C(=C/C(=C(\C/C(=C(\C/C(=C(\CCCC(O)=O)/[2H])/[2H])/[2H])/[2H])/[2H])/[2H])/[2H])[2H] is 15S-HETE-d8. It is also related to or classified as hydroxy fatty acid , polyunsaturated fatty acid , deuterated fatty acid .
The molecule CCC(=O)N1[C@H]([C@H]([C@H]1CO)C2=CC=CC=C2)CN(C(C)C)S(=O)(=O)C CCC(=O)N1[C@H]([C@H]([C@H]1CO)C2=CC=CC=C2)CN(C(C)C)S(=O)(=O)C is N-[[(2R,3R,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCC(=O)[O-] is a polyunsaturated fatty acid anion that is the conjugate base of (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoic acid.
The molecule C[C@H]1CC=C[C@@]23[C@@]1([C@H]([C@@H]([C@H](O2)OC)C)C(=O)CC3)C is a sesquiterpenoid of the class of nardosinane-type terpenoids isolated from the Formosan soft coral Lemnalia flava. It has a role as a coral metabolite. It is a cyclic ether, an organic heterotricyclic compound, a cyclic ketone and a sesquiterpenoid.
The molecule CCCCCCC(C)CCCCCCCCCCC(=O)[O-] is a methyl-branched fatty acid anion that is the conjugate base of 12-methyloctadecanoic 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 fatty acid anion 19:0. It is a conjugate base of a 12-methyloctadecanoic acid.
The molecule [H]C(C)=C(N)C(O)=O [H]C(C)=C(N)C(O)=O is 2-aminobut-2-enoic acid. Its functional parent is 2-butenoic acid . It is a conjugate acid of 2-aminobut-2-enoate . It is also related to or classified as non-proteinogenic alpha-amino acid .
The molecule [H][C@@]12CC[C@H](C)[C@@]11CC[C@H](C)C1=C[C@@]1(C)CC[C@](C)(CCC=C(C)C)[C@@]21[H] [H][C@@]12CC[C@H](C)[C@@]11CC[C@H](C)C1=C[C@@]1(C)CC[C@](C)(CCC=C(C)C)[C@@]21[H] is A sesterterpene synthesised by a terpene synthase from Fusarium graminearum. It has the role of fungal metabolite .  It is also related to or classified as sesterterpene  . It is also related to or classified as carbotetracyclic compound , polycyclic olefin .
The molecule [C@]12([C@@]([C@@H](CC1)C)([C@]3([C@@](CC[C@]2(C)O)(C3(C)C)[H])[H])[H])[H] [C@]12([C@@]([C@@H](CC1)C)([C@]3([C@@](CC[C@]2(C)O)(C3(C)C)[H])[H])[H])[H] is A carbotricyclic compound that is (1aS,4aR,7aR,7bR)-decahydro-1H-cyclopropa[e]azulene carrying four methyl substituents at positions 1, 1, 4 and 7 as well as a hydroxy substituent at position 4. It is a sesquiterpenoid isolated from several plant species and is a strong feeding deterrent for the melaleuca weevil that retards larval development. It has the role of antifeedant . It has the role of volatile oil component . It has the role of antimycobacterial drug . It has the role of anti-inflammatory agent . It has the role of plant metabolite .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as sesquiterpenoid , carbotricyclic compound .
The molecule CCC(=O)C(O)=O CCC(=O)C(O)=O is A 2-oxo monocarboxylic acid that is the 2-oxo derivative of butanoic acid. Its functional parent is butyric acid . It is a conjugate acid of 2-oxobutanoate . It is also related to or classified as short-chain fatty acid  . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3OC C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3OC is 2-methoxy-N-[(4S,7S,8R)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .