anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC1=C(C(=O)C2=CC=CC=C2N1O)C/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C is a C-type aurachin that is quinolin-4-one which is substituted by a hydroxy group at positions 1, a methyl group at position 2, and a triprenyl group at position 3. It has a role as a bacterial metabolite, an EC 1.8.5.4 (sulfide:quinone reductase) inhibitor and an antibacterial agent. It is a C-type aurachin, a member of hydroxylamines, a quinolone and an organic heterobicyclic compound.
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(CO)=C/C[C@H]1OC(=O)C=C1CO CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(CO)=C/C[C@H]1OC(=O)C=C1CO is HippolideE. It has the role of metabolite . It is also related to or classified as diterpene lactone .
The molecule C[C@@H]1[C@@H]([C@H](C2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]1OC(=O)C)OCO4)OC)OC)OC)OC)OC(=O)C)C is a lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma. It has a role as a plant metabolite and a neuroprotective agent. It is an acetate ester, an aromatic ether, a lignan, an organic heterotetracyclic compound and an oxacycle.
The molecule CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C is an  abietane diterpenoid that is abieta-8,11,13-triene substituted by an oxo group at position 7. It has been isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as abietane diterpenoid , tricyclic diterpenoid .
The molecule [Cl-].C[NH2+][C@@]1(CCCCC1=O)c1ccccc1Cl [Cl-].C[NH2+][C@@]1(CCCCC1=O)c1ccccc1Cl is the hydrochloride salt of esketamine. It has the role of analgesic . It has the role of intravenous anaesthetic . It has the role of NMDA receptor antagonist . It is also related to or classified as ketamine hydrochloride  .
The molecule C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C is an oxysterol that is cholesterol substituted at position 26 by a hydroxy group. It has a role as a human metabolite and an EC 3.1.1.1 (carboxylesterase) inhibitor. It is a 26-hydroxy steroid, an oxysterol and a 3beta-hydroxy-Delta(5)-steroid. It derives from a cholesterol.
The molecule Cc1cc(C)c(C(O)=O)c(C)c1 Cc1cc(C)c(C(O)=O)c(C)c1 is A trimethylbenzoic acid in which the three methyl substituents are located at positions 2, 4 and 6. Its functional parent is benzoic acid . It is a conjugate acid of 2,4,6-trimethylbenzoate . It is also related to or classified as trimethylbenzoic acid .
The molecule [H][C@]1(CC(=O)OC1=O)[C@H](O)C\C=C(/CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C=O [H][C@]1(CC(=O)OC1=O)[C@H](O)C\C=C(/CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C=O is Hippolide D. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule CC[C@@H]1[C@@](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)[NH+](C)C)O)C)C)(C)O is an organic cation that is the conjugate acid of methymycin, obtained by protonation of the tertiary amino group; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a methymycin.
The molecule CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C=O)c2cc1O CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C=O)c2cc1O is an  abietane diterpenoid that is abieta-8,11,13-trien-20-al substituted by a hydroxy group at position 12. It has been isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as aldehyde  . It is also related to or classified as phenols  . It is also related to or classified as abietane diterpenoid , tricyclic diterpenoid .
The molecule O.[Cl-].CC[NH+](CC)CC(=O)Nc1c(C)cccc1C O.[Cl-].CC[NH+](CC)CC(=O)Nc1c(C)cccc1C is the monohydrate form of lidocaine hydrochloride. It has the role of local anaesthetic . It has the role of anti-arrhythmia drug . It is also related to or classified as hydrate .
The molecule Cc1cccc(C)c1C([O-])=O Cc1cccc(C)c1C([O-])=O is A dimethylbenzoate in which the two methyl groups are located at positions 2 and 6. Its functional parent is benzoate . It is also related to or classified as dimethylbenzoate .
The molecule C(NC(CCNC(=O)[C@@H](C(COP(O)(=O)O)(C)C)O)=O)CSC(=O)CC(O)=O C(NC(CCNC(=O)[C@@H](C(COP(O)(=O)O)(C)C)O)=O)CSC(=O)CC(O)=O is an S-acyl-4'-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with one of the carboxy groups of malonic acid. Its functional parent is malonic acid . It is also related to or classified as S-acyl-4'-phosphopantetheine  .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(CO)=C/C[C@@H](O)C1=CC(=O)OC1 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(CO)=C/C[C@@H](O)C1=CC(=O)OC1 is Hippolide C. It has the role of metabolite . It is also related to or classified as diterpene lactone .
The molecule C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COP(=O)([O-])[O-])O)CCC4=CC(=O)C=C[C@]34C)O.[Na+].[Na+] is an organic sodium salt of prednisolone phosphate. It is an ophthalmology drug used for the treatment of short-term inflammatory eye conditions and helps relieve inflammation, redness and irritation of the eyes. It has a role as an ophthalmology drug, an anti-inflammatory agent, a glucocorticoid receptor agonist, a prodrug and an anti-allergic agent. It is an organic sodium salt and a glucocorticoid. It contains a prednisolone phosphate(2-).
The molecule CCO[C@@H]1C[C@@H]2C(=CC(=O)CC2(C)C)c2cc(O)c(cc12)C(C)C CCO[C@@H]1C[C@@H]2C(=CC(=O)CC2(C)C)c2cc(O)c(cc12)C(C)C is A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as ether  . It is also related to or classified as phenols  . It is also related to or classified as cyclic terpene ketone , tricyclic diterpenoid .
The molecule O.Cl.CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C O.Cl.CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C is A racemate composed of equimolar amounts of dextrobupivacaine hydrochloride hydrate and levobupivacaine hydrochloride hydrate. A piperidinecarboxamide-based local anaesthetic, it has a slow onset and long duration of action. It has the role of local anaesthetic . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of adrenergic antagonist . It has the role of amphiphile . It has the role of EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor . It is also related to or classified as racemate .
The molecule Cc1cccc(C)c1C(O)=O Cc1cccc(C)c1C(O)=O is A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 6. Its functional parent is benzoic acid . It is a conjugate acid of 2,6-dimethylbenzoate . It is also related to or classified as dimethylbenzoic acid .
The molecule CCCCCCCCCCCC is a straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger). It has a role as a plant metabolite.
The molecule [H][C@@]1(CC=C(CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](OC)O1)[C@]1([H])CC(=O)NC1=O [H][C@@]1(CC=C(CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](OC)O1)[C@]1([H])CC(=O)NC1=O is Hippolide B. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule C([C@H]([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)O)OP(=O)(O)O is a ketooctose derivative that is D-glycero-D-altro-octulose carrying a single phosphate substituent at position 8. It has a role as a mouse metabolite. It is a ketooctose derivative and a ketose phosphate.
The molecule CC(C)c1cc2CC[C@@H]3C(=CC(=O)CC3(C)C)c2cc1O CC(C)c1cc2CC[C@@H]3C(=CC(=O)CC3(C)C)c2cc1O is A  tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as phenols  . It is also related to or classified as cyclic terpene ketone , tricyclic diterpenoid .
The molecule O.CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 O.CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 is A hydrate, which is the hemihydrate form of the (S)-(-) (more active) enantiomer of timolol. It has the role of beta-adrenergic antagonist . It has the role of antihypertensive agent . It has the role of anti-arrhythmia drug . It has the role of antiglaucoma drug . It is also related to or classified as hydrate .
The molecule Cc1ccc(C)c(c1)C([O-])=O Cc1ccc(C)c(c1)C([O-])=O is A dimethylbenzoate in which the two methyl groups are located at positions 2 and 5. Its functional parent is benzoate . It is also related to or classified as dimethylbenzoate .
The molecule [H][C@@]1(CC=C(CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)O1)[C@]1([H])CC(=O)NC1=O [H][C@@]1(CC=C(CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)O1)[C@]1([H])CC(=O)NC1=O is Hippolide A. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O)N is a tripeptide composed of two L-leucine units and L-serine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-leucine and a L-serine.
The molecule CC(C)c1cc2ccc3c(C(=O)CCC3(C)C)c2cc1O CC(C)c1cc2ccc3c(C(=O)CCC3(C)C)c2cc1O is A tricyclic diterpenoid isolated from the stem bark of  Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as phenols  . It is also related to or classified as cyclic terpene ketone , tricyclic diterpenoid .
The molecule O[C@@H](COc1cccc(c1)C(F)(F)F)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O O[C@@H](COc1cccc(c1)C(F)(F)F)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O is an organofluorine compound that is racemic prostaglandin F2alpha in which the pentyl group is replaced by a 3-(trifluoromethyl)phenoxymethyl group. A synthetic analogue of prostaglandin F2alpha, ophthalmic solutions of its isopropyl ester prodrug, travoprost, are used as a topical medication for controlling the progression of open-angle glaucoma and ocular hypertension, by reducing intraocular pressure. The isopropyl ester group of travoprost is hydrolysed to the biologically active free acid by esterases in the cornea. It has the role of antihypertensive agent . It has the role of antiglaucoma drug . It has the role of female contraceptive drug . It has the role of abortifacient . It has the role of prostaglandin receptor agonist .  It is also related to or classified as prostaglandins Falpha  . It is also related to or classified as hydroxy monocarboxylic acid , (trifluoromethyl)benzenes .
The molecule Cc1ccc(C)c(c1)C(O)=O Cc1ccc(C)c(c1)C(O)=O is A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 5. Its functional parent is benzoic acid . It is a conjugate acid of 2,5-dimethylbenzoate . It is also related to or classified as dimethylbenzoic acid .
The molecule [H]C(=C([H])C([H])=C([H])C1=[N+](CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C)C([H])=C([H])C([H])=C1N(CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C [H]C(=C([H])C([H])=C([H])C1=[N+](CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C)C([H])=C([H])C([H])=C1N(CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C is the cationic form of a C7 cyanine dye having 3,3-dimethyl-1-octadecylindoleinine units at each end. It has the role of fluorochrome . It is also related to or classified as cyanine dye , indolium ion .
The molecule [H]C(=O)[C@H]1C(=CC[C@@]2([H])[C@]3(C)CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)C([H])=O [H]C(=O)[C@H]1C(=CC[C@@]2([H])[C@]3(C)CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)C([H])=O is A scalarane sesterterpenoid with formula C27H40O4. It is a natural product found in the marine sponges Spongia officinalis and Cacospongia mollior, and exhibits anti-inflammatory activity. It has the role of TRP channel blocker . It has the role of EC 3.1.1.4 (phospholipase A2) inhibitor . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of animal metabolite . It has the role of marine metabolite .   It is also related to or classified as acetate ester  . It is also related to or classified as enal  . It is also related to or classified as carbotetracyclic compound , dialdehyde , scalarane sesterterpenoid .
The molecule CC1=CC([N+](=C2C1=CC3=CC4=C(C=C(C=C4)N(C)C)C(C3=C2)(C)C)CCCC(=O)O)(C)C is the cationic form of a fluorescent dye derived from a tetrahydronaphtho[2,3-g]quinoline. It has a role as a fluorochrome. It is an organic heterotetracyclic compound and an organic cation.
The molecule CC(C)c1cc2CCC3=C([C@H](O)CCC3(C)C)c2cc1O CC(C)c1cc2CCC3=C([C@H](O)CCC3(C)C)c2cc1O is A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as phenols  . It is also related to or classified as tricyclic diterpenoid .
The molecule Cc1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)[C@@]1(C)[C@@H](C(O)=O)C(=CC=C51)C(O)=O)c(C)c4C=C)c(C)c3CCC(O)=O Cc1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)[C@@]1(C)[C@@H](C(O)=O)C(=CC=C51)C(O)=O)c(C)c4C=C)c(C)c3CCC(O)=O is 2,2(1)-Dihydrobenzo[b]porphyrin-13,17-dipropanoic acid substituted by carboxy groups at positions 2(1) and 2(2), an ethenyl group at position 8, and methyl groups at positions 2, 7, 12 and 18 (the 2S,2(1)R-enantiomer). It is also related to or classified as tetracarboxylic acid , beta-substituted porphyrin .
The molecule Cc1cccc(C([O-])=O)c1C Cc1cccc(C([O-])=O)c1C is A dimethylbenzoate in which the two methyl groups are located at positions 2 and 3. Its functional parent is benzoate . It is also related to or classified as dimethylbenzoate .
The molecule C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C is a tetracyclic triterpenoid that is 24,25-dihydrolanosterol carrying an additional methylene substituent at position 24. A natural product found in Taiwanofungus camphoratus. It has a role as a fungal metabolite. It is a 3beta-sterol, a tetracyclic triterpenoid and a 14alpha-methyl steroid. It derives from a 24,25-dihydrolanosterol.
The molecule [H][C@@]12CC[C@@]3(C)[C@]4([H])CCc5cocc5[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O [H][C@@]12CC[C@@]3(C)[C@]4([H])CCc5cocc5[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O is 16-Deacetoxy-12-epi-scalarafuranacetate. It has the role of metabolite . It is also related to or classified as scalarane sesterterpenoid .
The molecule CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](C4=CC=CC=C4)N)O is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3R)-3-amino-3-phenylpropanoic acid. It derives from a (R)-3-amino-3-phenylpropanoic acid. It is a conjugate acid of a (3R)-3-ammonio-3-phenylpropanoyl-CoA(3-).
The molecule CC(C)c1cc2C(=O)C[C@H]3[C@@](C)(CO)CCC[C@]3(O)c2cc1O CC(C)c1cc2C(=O)C[C@H]3[C@@](C)(CO)CCC[C@]3(O)c2cc1O is A  tricyclic diterpenoid isolated from the stem bark of  Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as phenols  . It is also related to or classified as cyclic terpene ketone , tricyclic diterpenoid .
The molecule Cc1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)[C@]1(C)[C@H](C(O)=O)C(=CC=C51)C(O)=O)c(C)c4C=C)c(C)c3CCC(O)=O Cc1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)[C@]1(C)[C@H](C(O)=O)C(=CC=C51)C(O)=O)c(C)c4C=C)c(C)c3CCC(O)=O is 2,2(1)-Dihydrobenzo[b]porphyrin-13,17-dipropanoic acid substituted by carboxy groups at positions 2(1) and 2(2), an ethenyl group at position 8, and methyl groups at positions 2, 7, 12 and 18 (the 2R,2(1)S-enantiomer). It is also related to or classified as tetracarboxylic acid , beta-substituted porphyrin .
The molecule Cc1cccc(C(O)=O)c1C Cc1cccc(C(O)=O)c1C is A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 3. Its functional parent is benzoic acid . It is a conjugate acid of 2,3-dimethylbenzoate . It is also related to or classified as dimethylbenzoic acid .
The molecule C(CC(=O)N)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)O)N is a tripeptide composed of one L-glutamine and two L-cysteine units joined by peptide linkages. It derives from a L-glutamine and a L-cysteine.
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(C[C@H](OC(C)=O)[C@@]4(C)[C@@]3([H])CC=C3CO[C@@H](O)[C@]43[H])[C@@]1(C)CCCC2(C)C [H][C@@]12CC[C@]3(C)[C@]([H])(C[C@H](OC(C)=O)[C@@]4(C)[C@@]3([H])CC=C3CO[C@@H](O)[C@]43[H])[C@@]1(C)CCCC2(C)C is 12alpha-Deoxoscalarin. It has the role of metabolite . It is also related to or classified as scalarane sesterterpenoid .
The molecule C[C@H](C(=O)O[C@H](C)C(=O)O)N is a D-alanyl ester that results from the formal condensation of the alcoholic hydroxy group of (2R)-lactic acid with the carboxylic acid group of D-alanine. It is a depsipeptide and a D-alanyl ester. It derives from a (R)-lactic acid. It is a tautomer of a D-alanyl-(R)-lactic acid zwitterion.
The molecule CC(C)c1cc2C(=O)C[C@@H]3[C@H](CCCC3(C)C)c2cc1O CC(C)c1cc2C(=O)C[C@@H]3[C@H](CCCC3(C)C)c2cc1O is A tricyclic diterpenoid isolated from the stem bark of  Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as phenols  . It is also related to or classified as cyclic terpene ketone , tricyclic diterpenoid .
The molecule Cc1cc(C)cc(c1)C([O-])=O Cc1cc(C)cc(c1)C([O-])=O is A dimethylbenzoate in which the two methyl groups are located at positions 3 and 5. Its functional parent is benzoate . It is also related to or classified as dimethylbenzoate .
The molecule COC(=O)C(\C)=C\CC\C(=C\CC\C(C)=C\CC\C(C)=C\CCc1ccoc1)C(O)=O COC(=O)C(\C)=C\CC\C(=C\CC\C(C)=C\CC\C(C)=C\CCc1ccoc1)C(O)=O is Furospongin-4. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule CS(=O)(=O)CS(=O)(=O)CC1=CC=CC=C1 is a member of the class of benzenes that is benzene substituted by a [(methanesulfonyl)methanesulfonyl]methyl group. It has a role as a metabolite. It is a sulfone and a member of benzenes.
The molecule CC(C)c1cc2C(=O)C[C@H]3C(C)(C)CCC[C@]3(O)c2cc1O CC(C)c1cc2C(=O)C[C@H]3C(C)(C)CCC[C@]3(O)c2cc1O is A  tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as phenols  . It is also related to or classified as cyclic terpene ketone , tricyclic diterpenoid .
The molecule [H]C(=O)C(=O)C[C@H](O)[C@H](O)CO [H]C(=O)C(=O)C[C@H](O)[C@H](O)CO is A deoxyketohexose comprising the open-chain form of D-glucose lacking the -OH group at the 3-position and having the keto group at the 2-position. It is also related to or classified as deoxyglucose  . It is also related to or classified as deoxyketohexose  .
The molecule Cc1cc(C)cc(c1)C(O)=O Cc1cc(C)cc(c1)C(O)=O is A dimethylbenzoic acid in which the two methyl groups are located at positions 3 and 5. Its functional parent is benzoic acid . It is a conjugate acid of 3,5-dimethylbenzoate . It is also related to or classified as dimethylbenzoic acid .
The molecule CC/C=C\\CC(=O)/C=C/C=C\\C/C=C\\C/C=C\\CCCCCC(=O)O is a docosanoid that is (7Z,10Z,13Z,15E,19Z)-docosapentaenoic acid carrying an oxo substituent at position 17. An intermediate of specialised proresolving mediators. It has a role as a human xenobiotic metabolite. It is an enone, a docosanoid and an oxo fatty acid. It derives from a (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid. It is a conjugate acid of a (7Z,10Z,13Z,15E,19Z)-17-oxodocosapentaenoate.
The molecule C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)CO)O)C)C)C)C is a pentacyclic triterpenoid that is friedelin substituted by hydroxy groups at positions 16 and 28. It is isolated from the stems of Celastrus hindsii and exhibits anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It is a cyclic terpene ketone, a pentacyclic triterpenoid, a diol, a primary alcohol and a secondary alcohol.
The molecule C\C(CCCC1=CC(=O)OC1)=C/CC\C(C)=C\CCc1ccoc1 C\C(CCCC1=CC(=O)OC1)=C/CC\C(C)=C\CCc1ccoc1 is Furospongolide. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[NH3+] is a 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-octadecanoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is a 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion and a lysophosphatidylethanolamine zwitterion 18:0. It is a tautomer of a 2-octadecanoyl-sn-glycero-3-phosphoethanolamine.
The molecule CCO[C@@H]1OC[C@@]2(C)CCC[C@]11[C@H]2CC(=O)c2cc(C(C)C)c(O)cc12 CCO[C@@H]1OC[C@@]2(C)CCC[C@]11[C@H]2CC(=O)c2cc(C(C)C)c(O)cc12 is an abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as cyclic terpene ketone , abietane diterpenoid , cyclic ether , tetracyclic diterpenoid .
The molecule [O-][N+](=O)c1c[nH]c(=O)[nH]c1=O [O-][N+](=O)c1c[nH]c(=O)[nH]c1=O is A C-nitro compound consisting of uracil having a nitro group at the 5-position. Its functional parent is uracil . It is also related to or classified as C-nitro compound .
The molecule Cc1ccc(cc1C)C([O-])=O Cc1ccc(cc1C)C([O-])=O is A dimethylbenzoate in which the two methyl groups are located at positions 3 and 4. Its functional parent is benzoate . It is also related to or classified as dimethylbenzoate .
The molecule C[C@@H](CCCc1ccoc1)C[C@@H](O)C\C(C)=C\CCc1ccoc1 C[C@@H](CCCc1ccoc1)C[C@@H](O)C\C(C)=C\CCc1ccoc1 is Furospongin-1. It has the role of metabolite . It is also related to or classified as aliphatic alcohol  .
The molecule CC(C)(CC(=O)O)C(=O)O is an alpha,omega-dicarboxylic acid that is succinic acid substituted by two methyl groups at positions 2 and 2 respectively. It derives from a succinic acid.
The molecule CCO[C@@H]1OC[C@@]2(C)CCC[C@]11[C@H]2CCc2cc(C(C)C)c(O)cc12 CCO[C@@H]1OC[C@@]2(C)CCC[C@]11[C@H]2CCc2cc(C(C)C)c(O)cc12 is an abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as abietane diterpenoid , cyclic ether , tetracyclic diterpenoid .
The molecule Clc1c[nH]c(=O)[nH]c1=O Clc1c[nH]c(=O)[nH]c1=O is an organochlorine compound consisting of uracil having an chloro substituent at the 5-position. Its functional parent is uracil . It is also related to or classified as organochlorine compound  .
The molecule CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1 CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1 is A member of the class of phenylureas that is N-methyl urea substituted by a methoxy group at position 1 and a 3,4-dichlorophenyl group at position 3. It has the role of herbicide . It has the role of agrochemical . It has the role of xenobiotic . It has the role of environmental contaminant . Its functional parent is N-methyl urea .  It is also related to or classified as dichlorobenzene  . It is also related to or classified as phenylureas .
The molecule C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C is an S-acyl-4'-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with the carboxy group of cholic acid. It has a role as a mouse metabolite. It derives from a cholic acid. It is a conjugate acid of a S-choloyl-4'-phosphopantetheine(2-).
The molecule C[C@@H](CCCc1ccoc1)CC(=O)C\C(C)=C\CCc1ccoc1 C[C@@H](CCCc1ccoc1)CC(=O)C\C(C)=C\CCc1ccoc1 is Dihydrofurospongin-2. It has the role of metabolite . It is also related to or classified as furans .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O)O)O is a glycosyloxyflavone that is 3,5,7-trihydroxy-4'-methoxy-8-prenylflavone in which the hydroxy group at position 3 has been converted into its alpha-L-rhamnopyranoside. It has a role as a plant metabolite, an anti-inflammatory agent, an antineoplastic agent and an apoptosis inducer. It derives from an alpha-L-rhamnopyranose.
The molecule CO[C@H]1OC[C@@]2(C)CCC[C@]11[C@H]2CCc2cc(C(C)C)c(O)cc12 CO[C@H]1OC[C@@]2(C)CCC[C@]11[C@H]2CCc2cc(C(C)C)c(O)cc12 is an abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has the role of plant metabolite . It is also related to or classified as abietane diterpenoid , cyclic ether , tetracyclic diterpenoid .