anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(=O)(O)C[C@@H]1[C@H](C(CC1)=O)CCCCCOS(O)(=O)=O C(=O)(O)C[C@@H]1[C@H](C(CC1)=O)CCCCCOS(O)(=O)=O is A dihydrojasmonic acid that is 9,10-dihydrojasmonic acid in which one of the methyl hydrogens at position 12 has been replaced by a sulfooxy group. It has the role of plant metabolite . It is also related to or classified as dihydrojasmonic acid , alkyl sulfate .
The molecule CON1C=C(CN)C2=CC=CC=C21 CON1C=C(CN)C2=CC=CC=C21 is an aminoalkylindole that is 3-(aminomethyl)indole in which the hydrogen at position 1 has been replaced by a methoxy group. It has the role of plant metabolite . It is also related to or classified as aminoalkylindole .
The molecule C1(O)=C(C=C(C(=C1)NC=2N=CN=C3C2C=CC(=C3)OCC4=CC=CC=C4)F)C.Cl C1(O)=C(C=C(C(=C1)NC=2N=CN=C3C2C=CC(=C3)OCC4=CC=CC=C4)F)C.Cl is A hydrochloride obtained by combining ZM 323881 with one molar equivalent of hydrochloric acid. It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of vascular endothelial growth factor receptor antagonist . It is also related to or classified as hydrochloride .
The molecule C=1C=CC(O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)=C(C1C(O)=O)O C=1C=CC(O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)=C(C1C(O)=O)O is A monohydroxybenzoic acid that is 2-hydroxybenzoic acid in which the hydrogen at position 3 is replaced by a beta-D-xylosyloxy group. It has the role of plant metabolite . Its functional parent is 2,3-dihydroxybenzoic acid .  It is also related to or classified as beta-D-xyloside  . It is also related to or classified as monohydroxybenzoic acid .
The molecule C(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/C=C/[C@@]12[C@](C[C@@H](O)CC1(C)C)(C)O2)\C)/C)/C)([C@@]3(C[C@H](CC3(C)C)O)C)=O C(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/C=C/[C@@]12[C@](C[C@@H](O)CC1(C)C)(C)O2)\C)/C)/C)([C@@]3(C[C@H](CC3(C)C)O)C)=O is A epoxycarotenol that is capsanthin in which the 5,6-double bond has been epoxidised. It has the role of plant metabolite . Its functional parent is capsanthin . It is also related to or classified as epoxycarotenol , carotenone .
The molecule C=1C=[NH+]C=CC1CCSC=2C=CC(=CC2)OC C=1C=[NH+]C=CC1CCSC=2C=CC(=CC2)OC is A pyridinium ion obtained by protonation of the pyridine nitrogen of GS4012 free base. It is a conjugate acid of GS4012 free base . It is also related to or classified as pyridinium ion .
The molecule CS(CCCCCCCCC(O)=O)=O CS(CCCCCCCCC(O)=O)=O is A monocarboxylic acid that is nonanoic acid in which one of the methyl hydrogens at position 9 has been replaced by a methylsulfinyl group. It has the role of plant metabolite . Its functional parent is nonanoic acid . It is also related to or classified as sulfoxide  . It is also related to or classified as monocarboxylic acid .
The molecule C1(O)=C(C=C(C(=C1)NC=2N=CN=C3C2C=CC(=C3)OCC4=CC=CC=C4)F)C C1(O)=C(C=C(C(=C1)NC=2N=CN=C3C2C=CC(=C3)OCC4=CC=CC=C4)F)C is A member of the class of quinazolines carrying 2-fluoro-4-methyl-5-hydroxyanilino and benzyloxy substituents at positions 4 and 7 respectively. It has the role of vascular endothelial growth factor receptor antagonist .        It is also related to or classified as monofluorobenzenes  . It is also related to or classified as halophenol  . It is also related to or classified as fluorophenol , organic cation , aromatic ether , quinazolines , substituted aniline , secondary amino compound , benzyl ether .
The molecule C(=O)(O)C[C@@H]1[C@H](C(CC1)=O)CCCC(OS(O)(=O)=O)C C(=O)(O)C[C@@H]1[C@H](C(CC1)=O)CCCC(OS(O)(=O)=O)C is A dihydrojasmonic acid that is 9,10-dihydrojasmonic acid in which one of the methylene hydrogens at position 11 has been replaced by a sulfooxy group. It has the role of plant metabolite . It is also related to or classified as dihydrojasmonic acid , alkyl sulfate .
The molecule C=1C(=C(C(=CC1C(C(CO)O)O)OC)OC(CO)C(O)C=2C=C(C(=CC2)O)OC)OC C=1C(=C(C(=CC1C(C(CO)O)O)OC)OC(CO)C(O)C=2C=C(C(=CC2)O)OC)OC is A guaiacyl lignin that is guaiacylglycerol in which the hydrogen on the 2-hydroxy function has been replaced by a 4-(1,2,3-trihydroxypropan-1-yl)-2,6-dimethoxyphenyl group. It has the role of plant metabolite . Its functional parent is guaiacylglycerol . It is also related to or classified as primary alcohol  . It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as dimethoxybenzene , guaiacyl lignin .
The molecule N1=C2C(C=CC=C2)=C(C=C1)C3=CNN=C3C=4N=CC=CC4 N1=C2C(C=CC=C2)=C(C=C1)C3=CNN=C3C=4N=CC=CC4 is A member of the class of pyrazoles carrying pyridin-2-yl and quinolin-4-yl substituents at positions 3 and 4 respectively. It has the role of TGFbeta receptor antagonist . It is also related to or classified as pyrazoles , pyridines , quinolines .
The molecule C=1C=NC=CC1CCSC=2C=CC(=CC2)OC C=1C=NC=CC1CCSC=2C=CC(=CC2)OC is A member of the class of pyridines that is 2-(pyridin-4-yl)ethane-1-thiol in which the thiol hydrogen is replaced by a 4-methoxyphenyl group. It has the role of VEGF activator . It is also related to or classified as monomethoxybenzene , pyridines , aryl sulfide .
The molecule C1OC(C2COC(C12)C3=CC(=C(C(=C3)OC)O)OC)C4=CC=C(C(=C4)OC)OC(C(C=5C=C(C(=CC5)O)OC)O)CO C1OC(C2COC(C12)C3=CC(=C(C(=C3)OC)O)OC)C4=CC=C(C(=C4)OC)OC(C(C=5C=C(C(=CC5)O)OC)O)CO is A guaiacyl lignin that is medioresinol in which one of the phenolic hydrogens is replaced by a guaiacylglycerol group. It is found in Arabidopsis thaliana. It has the role of plant metabolite . Its functional parent is guaiacylglycerol . 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 polyphenol , furofuran , dimethoxybenzene , guaiacyl lignin .
The molecule N(C(=O)O[C@@H](C)C1=CC=CC=C1Cl)C2=C(C=3C=CC(CSCCC(=O)O)=CC3)ON=C2C N(C(=O)O[C@@H](C)C1=CC=CC=C1Cl)C2=C(C=3C=CC(CSCCC(=O)O)=CC3)ON=C2C is A 3-[({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid that is the (S)-enantiomer of KI16425. It is also related to or classified as 3-[({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid  .
The molecule C=1C=NC=CC1CCSC=2C=CC(=CC2)OC.Cl C=1C=NC=CC1CCSC=2C=CC(=CC2)OC.Cl is A hydrochloride obtained by combining the free base of GS4012 with one molar equivalent of hydrochloric acid. It has the role of VEGF activator . It is also related to or classified as hydrochloride , pyridinium salt .
The molecule C=1C=2C=C(C(=CC2OC(C1)=O)OC(CO)C(O)C=3C=C(C(=CC3)O)OC)OC C=1C=2C=C(C(=CC2OC(C1)=O)OC(CO)C(O)C=3C=C(C(=CC3)O)OC)OC is A guaiacyl lignin that is scopoletin in which the phenolic hydrogen is replaced by a guaiacylglycerol group. It is found in Arabidopsis thaliana. It has the role of plant metabolite . Its functional parent is scopoletin . Its functional parent is guaiacylglycerol . 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 coumarins , guaiacyl lignin .
The molecule C1(O)=C(C=C(C(=C1)[NH2+]C=2N=CN=C3C2C=CC(=C3)OCC4=CC=CC=C4)F)C C1(O)=C(C=C(C(=C1)[NH2+]C=2N=CN=C3C2C=CC(=C3)OCC4=CC=CC=C4)F)C is an organic cation obtained by protonation of the secondary amino function of ZM 323881. It is a conjugate acid of ZM 323881 . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C=1C(=C(C=CC1/C=C/C(O)=O)OC(CO)C(OS(O)(=O)=O)C=2C=C(C(=CC2)O)OC)OC C=1C(=C(C=CC1/C=C/C(O)=O)OC(CO)C(OS(O)(=O)=O)C=2C=C(C(=CC2)O)OC)OC is A guaiacyl lignin that is ferulic acid in which the phenolic hydrogen is replaced by a sulfoguaiacylglycerol group. It is found in Arabidopsis thaliana. It has the role of plant metabolite . Its functional parent is trans-ferulic acid . Its functional parent is guaiacylglycerol . It is also related to or classified as guaiacols  . It is also related to or classified as primary alcohol  . It is also related to or classified as alkyl sulfate , methoxycinnamic acid , guaiacyl lignin .
The molecule N(C(=O)O[C@H](C)C1=CC=CC=C1Cl)C2=C(C=3C=CC(CSCCC(=O)O)=CC3)ON=C2C N(C(=O)O[C@H](C)C1=CC=CC=C1Cl)C2=C(C=3C=CC(CSCCC(=O)O)=CC3)ON=C2C is A 3-[({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid that is the (R)-enantiomer of KI16425. It is also related to or classified as 3-[({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid  .
The molecule N(C(=O)OC(C)C1=CC=CC=C1Cl)C2=C(C=3C=CC(CSCCC(=O)O)=CC3)ON=C2C N(C(=O)OC(C)C1=CC=CC=C1Cl)C2=C(C=3C=CC(CSCCC(=O)O)=CC3)ON=C2C is A member of the class of isoxazoles that is the carbamate ester obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)ethyl hydrogen carbonate with the amino group of 3-({[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]methyl}sulfanyl)propanoic acid. It is also related to or classified as organic sulfide  .   It is also related to or classified as isoxazoles  . It is also related to or classified as carbamate ester , monocarboxylic acid , monochlorobenzenes .
The molecule NC=1N=CN=C2C1N=CN2[C@@H]3O[C@H](CO)CC3 NC=1N=CN=C2C1N=CN2[C@@H]3O[C@H](CO)CC3 is A purine 2',3'-dideoxyribonucleoside in which the nucleobase component is specified as adenine. It has the role of EC 3.5.4.4 (adenosine deaminase) inhibitor . It has the role of EC 4.6.1.1 (adenylate cyclase) inhibitor . It is also related to or classified as adenosines , purine 2',3'-dideoxyribonucleoside .
The molecule COc1cccc(OC)c1O COc1cccc(OC)c1O is A member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6. It has the role of plant metabolite . It is also related to or classified as phenols  . It is also related to or classified as dimethoxybenzene .
The molecule C=1C=2C=C3C(=CC2OC(C1)=O)OC(C(O3)C4=CC(=C(C(=C4)OC)O)OC)CO C=1C=2C=C3C(=CC2OC(C1)=O)OC(C(O3)C4=CC(=C(C(=C4)OC)O)OC)CO is A pyranobenzodioxin obtained by formal cyclocodensation between syringylglycerol and esculetin. It is found in Arabidopsis thaliana. It has the role of plant metabolite . Its functional parent is esculetin . Its functional parent is 2,6-dimethoxyphenol .  It is also related to or classified as primary alcohol  .  It is also related to or classified as lignan  . It is also related to or classified as phenols  . It is also related to or classified as pyranobenzodioxin , coumarins , dimethoxybenzene .
The molecule C[C@@]1(O)C[C@H](O)[C@]23CCCN4CCC[C@]24C(=O)C[C@@H]3[C@H]1O C[C@@]1(O)C[C@H](O)[C@]23CCCN4CCC[C@]24C(=O)C[C@@H]3[C@H]1O is Serratanidine. It is also related to or classified as alkaloid  . It is also related to or classified as organic heterotetracyclic compound .
The molecule C=1C=2C=C3C(=CC2OC(C1)=O)OC(C(O3)C4=CC(=C(C=C4)O)OC)CO C=1C=2C=C3C(=CC2OC(C1)=O)OC(C(O3)C4=CC(=C(C=C4)O)OC)CO is A guaiacyl lignin obtained by formal cyclocodensation between guaiacylglycerol and esculetin. It is found in Arabidopsis thaliana. It has the role of plant metabolite . Its functional parent is esculetin . Its functional parent is guaiacylglycerol . It is also related to or classified as guaiacols  .  It is also related to or classified as primary alcohol  . It is also related to or classified as pyranobenzodioxin , coumarins , guaiacyl lignin .
The molecule C(\[C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CC=1C2=CC=CC=C2NC1)NC(=O)CN3CCOCC3)=O)=O)=C/S(C)(=O)=O C(\[C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CC=1C2=CC=CC=C2NC1)NC(=O)CN3CCOCC3)=O)=O)=C/S(C)(=O)=O is A dipeptide that is L-tryptophyl-L-leucinamide in which the N-terminal amino group has been converted to the corresponding (morpholin-4-yl)acetamide and in which one of the hydrogens attached to the nitrogen of the C-terminal amide has been replaced by a (1E)-5-methyl-1-(methylsulfonyl)hex-1-en-3-yl group. It is a selective proteasome inhibitor. It has the role of antimalarial . It has the role of proteasome inhibitor . Its functional parent is Trp-Leu .  It is also related to or classified as sulfone  .  It is also related to or classified as dipeptide  . It is also related to or classified as indoles , morpholines .
The molecule C[C@]1(O)C[C@H]2CC(=O)[C@]34CCCN3CCC[C@]24[C@@H](O)C1 C[C@]1(O)C[C@H]2CC(=O)[C@]34CCCN3CCC[C@]24[C@@H](O)C1 is Serratine. It is also related to or classified as alkaloid  . It is also related to or classified as organic heterotetracyclic compound .
The molecule C=12OC(C(C1C=C(C=C2OC)/C=C/C(O)=O)CO)C3=CC(=C(C=C3)OS(O)(=O)=O)OC C=12OC(C(C1C=C(C=C2OC)/C=C/C(O)=O)CO)C3=CC(=C(C=C3)OS(O)(=O)=O)OC is A guaiacyl lignin that is glycosmisic acid in which the phenolic hydrogen is replaced by a sulfo group. It has the role of plant metabolite . Its functional parent is glycosmisic acid . It is also related to or classified as primary alcohol  . It is also related to or classified as monomethoxybenzene , aryl sulfate , 1-benzofurans , guaiacyl lignin , alpha,beta-unsaturated monocarboxylic acid .
The molecule C=1C(=C(C=CC1/C=C/C(O)=O)OC(COS(O)(=O)=O)C(O)C=2C=C(C(=CC2)O)OC)OC C=1C(=C(C=CC1/C=C/C(O)=O)OC(COS(O)(=O)=O)C(O)C=2C=C(C(=CC2)O)OC)OC is (2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid. It has the role of plant metabolite . Its functional parent is trans-ferulic acid . Its functional parent is guaiacylglycerol .   It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as monomethoxybenzene , alkyl sulfate , methoxycinnamic acid , guaiacyl lignin .
The molecule O(P(=O)(OCC[N+](C)(C)C)[O-])C[C@H](O)COC(CCCCCCCC(O)=O)=O O(P(=O)(OCC[N+](C)(C)C)[O-])C[C@H](O)COC(CCCCCCCC(O)=O)=O is A 1-O-acyl-sn-glycero-3-phosphocholine obtained by formal condensation of one of the carboxy groups of azelaic acid with the 1-hydroxy group of sn-glycero-3-phosphocholine. It has the role of plant metabolite . Its functional parent is nonanedioic acid . It is also related to or classified as 1-O-acyl-sn-glycero-3-phosphocholine  .
The molecule C(C=CC(C(O)CCCCC)O)(O)CCCCCCCC(O)=O C(C=CC(C(O)CCCCC)O)(O)CCCCCCCC(O)=O is A TriHOME that is octadec-10-enoic acid in which the three hydroxy substituents are located at positions 9, 12 and 13. It has the role of plant metabolite .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as TriHOME .
The molecule C(CCCCCCCC(/C=C/C(C(C/C=C\CC)O)O)O)(O)=O C(CCCCCCCC(/C=C/C(C(C/C=C\CC)O)O)O)(O)=O is A octadecanoid that is (10E,15Z)-octadecadienoic acid carrying three hydroxy substituents at positions 9, 12 and 13. It has the role of antioxidant . It has the role of antifungal agent . It has the role of plant metabolite .    It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy polyunsaturated fatty acid , octadecanoid , oxylipin .
The molecule C(=C(/CCC=C(C)C)\C)\CC/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(C(OC)(C)C)O)\C)\C)\C)/C)/C C(=C(/CCC=C(C)C)\C)\CC/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(C(OC)(C)C)O)\C)\C)\C)/C)/C is A carotenoid ether that is spheroidene substituted at position 2 by a hydroxy group. Its functional parent is spheroidene . It is also related to or classified as carotenol , carotenoid ether .
The molecule N1=CN=C(C=C1C2=CC=CC=C2)I N1=CN=C(C=C1C2=CC=CC=C2)I is A member of the class of pyrimidines carrying iodo and phenyl substituents at positions 4 and 6 respectively. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of macrophage migration inhibitory factor inhibitor . It is also related to or classified as organoiodine compound  . It is also related to or classified as pyrimidines , biaryl .
The molecule O=C(O)C(N)CCCCCCCS(C)=O O=C(O)C(N)CCCCCCCS(C)=O is A sulfur-containing amino acid that is the sulfoxide obtained by formal oxygenation of the sulfur atom of pentahomomethionine. It has the role of plant metabolite . Its functional parent is pentahomomethionine . It is also related to or classified as sulfoxide  . It is also related to or classified as sulfur-containing amino acid , non-proteinogenic alpha-amino acid .
The molecule Fc1ccc(cc1)-n1cc(C2CCN(CC2)CCN2CCNC2=O)c2cc(Cl)ccc12 Fc1ccc(cc1)-n1cc(C2CCN(CC2)CCN2CCNC2=O)c2cc(Cl)ccc12 is A phenylindole that is 1H-indole which is substituted on the nitrogen by a p-chlorophenyl group, at position 5 by chlorine, and at position 3 by a piperidin-4-yl group, which is itself substituted on the nitrogen by a 2-(2-oxoimidazolidin-1-yl)ethyl group. It has the role of alpha-adrenergic antagonist . It has the role of H1-receptor antagonist . It has the role of serotonergic antagonist . It has the role of second generation antipsychotic . It is also related to or classified as organochlorine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as phenylindole  . It is also related to or classified as heteroarylpiperidine , imidazolidinone .
The molecule C(=O)(C1=C(C=C(C=C1)NC(=O)COS(C2=CC=C(C=C2)C)(=O)=O)O)O C(=O)(C1=C(C=C(C=C1)NC(=O)COS(C2=CC=C(C=C2)C)(=O)=O)O)O is an amidobenzoic acid obtained by formal condensation of the carboxy group of [(4-methylbenzene-1-sulfonyl)oxy]acetic acid with the amino group of 4-amino-2-hydroxybenzoic acid. It has the role of STAT3 inhibitor .   It is also related to or classified as tosylate ester  . It is also related to or classified as monohydroxybenzoic acid , amidobenzoic acid .
The molecule C=1C(=C(C=CC1/C=C/C(O)=O)OC(CO)C(O)C=2C=C(C(=CC2)OS(O)(=O)=O)OC)OC C=1C(=C(C=CC1/C=C/C(O)=O)OC(CO)C(O)C=2C=C(C(=CC2)OS(O)(=O)=O)OC)OC is A guaiacyl lignin that is ferulic acid in which the phenolic hydrogen is replaced by a sulfoguaiacylglycerol group. It is found in Arabidopsis thaliana. It has the role of plant metabolite . Its functional parent is trans-ferulic acid . Its functional parent is guaiacylglycerol . 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 monomethoxybenzene , aryl sulfate , methoxycinnamic acid , guaiacyl lignin .
The molecule C(=C(/C=C/C(C(OC)(C)C)O)\C)\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\C(C(OC)(C)C)=O)/C)/C)/C)\C)\C C(=C(/C=C/C(C(OC)(C)C)O)\C)\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\C(C(OC)(C)C)=O)/C)/C)/C)\C)\C is A carotenoid ether that is spirilloxanthin substituted at positions 2  and 2' by oxo and hydroxy groups respectively. Its functional parent is spirilloxanthin . It is also related to or classified as carotenol , carotenone , carotenoid ether .
The molecule N12C3=C(N=CC1=NOC2=O)C=CC=C3 N12C3=C(N=CC1=NOC2=O)C=CC=C3 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 the role of EC 4.6.1.2 (guanylate cyclase) inhibitor . It is also related to or classified as oxadiazoloquinoxaline .
The molecule C=12OC(C(C1C=C(C=C2OC)/C=C/C(O)=O)COS(O)(=O)=O)C3=CC(=C(C=C3)O)OC C=12OC(C(C1C=C(C=C2OC)/C=C/C(O)=O)COS(O)(=O)=O)C3=CC(=C(C=C3)O)OC is A guaiacyl lignin that is glycosmisic acid in which the alcoholic hydrogen is replaced by a sulfo group. It has the role of plant metabolite . Its functional parent is glycosmisic acid . It is also related to or classified as guaiacols  . It is also related to or classified as alkyl sulfate , 1-benzofurans , guaiacyl lignin , alpha,beta-unsaturated monocarboxylic acid .
The molecule O=C(O)C(N)CCCCCCCCS(C)=O O=C(O)C(N)CCCCCCCCS(C)=O is A sulfur-containing amino acid that is the sulfoxide obtained by formal oxygenation of the sulfur atom of hexahomomethionine. It has the role of plant metabolite . Its functional parent is hexahomomethionine . It is also related to or classified as sulfoxide  . It is also related to or classified as sulfur-containing amino acid , non-proteinogenic alpha-amino acid .
The molecule C(=C(/C=C/C(C(OC)(C)C)(O)O)\C)\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\C(C(OC)(C)C)=O)/C)/C)/C)\C)\C C(=C(/C=C/C(C(OC)(C)C)(O)O)\C)\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\C(C(OC)(C)C)=O)/C)/C)/C)\C)\C is A carotenoid ether that is spirilloxanthin carrying an oxo group at position 2 as well as two hydroxy group, both at position 2'. Its functional parent is spirilloxanthin .    It is also related to or classified as ketone hydrate  . It is also related to or classified as carotenol , carotenone , carotenoid ether .
The molecule Cl.[H][C@]1(CC[C@H](NC)c2ccccc12)c1ccc(Cl)c(Cl)c1 Cl.[H][C@]1(CC[C@H](NC)c2ccccc12)c1ccc(Cl)c(Cl)c1 is A hydrochloride resulting from the reaction of equimolar amounts of sertraline and hydrogen chloride. A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder. It has the role of antidepressant . It has the role of serotonin uptake inhibitor . It is also related to or classified as hydrochloride .
The molecule C(C(=O)[O-])(=O)[O-].[NH4+].[NH4+] C(C(=O)[O-])(=O)[O-].[NH4+].[NH4+] is an ammonium salt consisting of ammonium and oxalate ions in a 2:1 ratio. It is also related to or classified as ammonium salt , oxalate salt .
The molecule [N+](C)(C)(C)CC(=O)[O-].O [N+](C)(C)(C)CC(=O)[O-].O is A hydrate that is the monohydrate form of glycine betaine. It has the role of fundamental metabolite . It is also related to or classified as hydrate .
The molecule C(=C(\C=C\CC(OC)(C)C)/C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(C(OC)(C)C)(O)O)\C)\C)\C)/C)/C C(=C(\C=C\CC(OC)(C)C)/C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(C(OC)(C)C)(O)O)\C)\C)\C)/C)/C is A carotenoid ether that is spirilloxanthin carrying two hydroxy groups, both at position 2. Its functional parent is spirilloxanthin .   It is also related to or classified as ketone hydrate  . It is also related to or classified as carotenol , carotenoid ether .
The molecule C(=C(\C=C\CC(OC)(C)C)/C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(C(OC)(C)C)O)\C)\C)\C)/C)/C C(=C(\C=C\CC(OC)(C)C)/C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(C(OC)(C)C)O)\C)\C)\C)/C)/C is A carotenoid ether that is spirilloxanthin substituted at position 2 by a hydroxy group. Its functional parent is spirilloxanthin . It is also related to or classified as carotenol , carotenoid ether .
The molecule C12=CC=C(C=C1N=CC=C2N3CCN(CC3)CCCN4CCN(CC4)C=5C=CN=C6C5C=CC(=C6)Cl)Cl C12=CC=C(C=C1N=CC=C2N3CCN(CC3)CCCN4CCN(CC4)C=5C=CN=C6C5C=CC(=C6)Cl)Cl is an aminoquinoline that is 1,3-di(piperazin-1-yl)propane in which the nitrogen at position 4 of each of the piperazine moieties is replaced by a 7-chloroquinolin-4-yl group. It has the role of antimalarial . 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 N-arylpiperazine .
The molecule N1C(=NC2=C(N=C(N2[C@@H]3O[C@@H]4COP(O[C@H]4[C@H]3O)(=O)[O-])SC=5C=CC(=CC5)Cl)C1=O)N.[Na+] N1C(=NC2=C(N=C(N2[C@@H]3O[C@@H]4COP(O[C@H]4[C@H]3O)(=O)[O-])SC=5C=CC(=CC5)Cl)C1=O)N.[Na+] is an organic sodium salt that is the monosodium salt of 8-(4-chlorophenylthio)-cGMP. It has the role of protein kinase agonist . It is also related to or classified as organic sodium salt .
The molecule C(=C(/CCC=C(C)C)\C)\CC/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(C(OC)(C)C)(O)O)\C)\C)\C)/C)/C C(=C(/CCC=C(C)C)\C)\CC/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(C(OC)(C)C)(O)O)\C)\C)\C)/C)/C is A carotenoid ether that is spheroidene carrying two hydroxy groups, both at position 2. Its functional parent is spheroidene .   It is also related to or classified as ketone hydrate  . It is also related to or classified as carotenol , carotenoid ether .
The molecule Cl[Cu]Cl.O.O.O.O.O Cl[Cu]Cl.O.O.O.O.O is A hydrate that is the pentahydrate form of copper(II) chloride. It has the role of EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor . It is also related to or classified as hydrate , halide mineral .
The molecule C([C@H](CS)N)(=O)O.Cl.O C([C@H](CS)N)(=O)O.Cl.O is A hydrate that is the monohydrate form of L-cysteine hydrochloride. It has the role of flour treatment agent . It has the role of EC 4.3.1.3 (histidine ammonia-lyase) inhibitor . It has the role of human metabolite . It is also related to or classified as hydrate .