mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C[C@@]1(CO)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O</smiles> is A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 16, 23 and 29 and an oxo group at position 3. It has been isolated from the stem bark of Kalopanax pictus and has been shown to exhibit anti-inflammatory activity. It has the role of anti-inflammatory agent. It has the role of plant metabolite. It is also related to or classified as pentacyclic triterpenoid, hydroxy monocarboxylic acid, cyclic terpene ketone.
The molecule <smiles>CC(=CCC1=C(C=CC2=C1OC[C@H](C2=O)C3=C(C(=C(C=C3)O)CC=C(C)C)OC)O)C</smiles> is a hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 7 and 4', a methoxy group at position 2' and prenyl groups at positions 8 and 3'. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor. It has a role as a metabolite and a melanin synthesis inhibitor. It is a hydroxyisoflavanone and a methoxyisoflavanone.
The molecule <smiles>CC1CCCCN1C2=NC=NC3=CC=CC=C32</smiles> is A member of the class of quinazolines that is quinazoline which is substituted by a 2-methylpiperidin-1-yl group at position 4. It is also related to or classified as piperidines, quinazolines.
The molecule <smiles>[H][C@]12CC(=C)[C@H](CC[C@@](C)(OC(=O)CCC)[C@]([H])(O1)[C@]1([H])[C@]3([H])C[C@@]([H])(OC[C@@H]3C)[C@](C)(O)[C@]21[H])OC(C)=O</smiles> is Tritoniopsin D. It has the role of metabolite.  It is also related to or classified as butyrate ester . It is also related to or classified as oxanes.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\\C/C=C\\C/C=C\\CCCCC</smiles> is a 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as stearoyl and 8Z,11Z,14Z-icosa-8,11,14-trienoyl respectively. It has a role as a mouse metabolite. It derives from an octadecanoic acid and an all-cis-icosa-8,11,14-trienoic acid.
The molecule <smiles>C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C</smiles> is N-[(5R,6S,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>[H][C@]12CC(=C)[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@]([H])(O1)[C@]1([H])[C@]3([H])C[C@@]([H])(OC[C@@H]3C)[C@](C)(O)[C@]21[H]</smiles> is Tritoniopsin C, rel-. It has the role of metabolite.  It is also related to or classified as butyrate ester . It is also related to or classified as oxanes.
The molecule <smiles>CCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC</smiles> is a 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine in which the alk-1-enyl and acyl groups are specified as (1Z)-hexadecenyl and tetradecanoyl respectively. It derives from a tetradecanoic acid.
The molecule <smiles>[H][C@]12CC(=C)[C@H](CC[C@@](C)(OC(=O)CCC)[C@]([H])(O1)[C@]1([H])[C@]3([H])C[C@@]([H])(OC[C@@H]3C)[C@](C)(O)[C@]21[H])OO</smiles> is Tritoniopsin B, rel-. It has the role of metabolite.  It is also related to or classified as butyrate ester . It is also related to or classified as oxanes.
The molecule <smiles>CCCN(CCC)CCC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2.Cl.Cl</smiles> is an aromatic ether that is (2-phenoxyethyl)benzene which carries a 2-(dipropylamino)ethyl group at position 3 and a methoxy group at position 6. It is a potent and selective sigma1 receptor antagonist. It has a role as an antipsychotic agent and a receptor modulator. It is an aromatic ether, a member of methoxybenzenes, a tertiary amino compound and a hydrochloride.
The molecule <smiles>[H][C@]12C\C(C)=C\CC[C@@](C)(OC(=O)CCC)[C@]([H])(O1)[C@]1([H])[C@]3([H])C[C@@]([H])(OC[C@@H]3C)[C@](C)(O)[C@]21[H]</smiles> is Tritoniopsin A, rel-. It has the role of metabolite.  It is also related to or classified as butyrate ester . It is also related to or classified as oxanes.
The molecule <smiles>C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)N</smiles> is an aminoglycoside that is 4alpha,6alpha-diaminocyclohexane-1beta,2alpha,3beta-triol in which the pro-R hydroxy group has been converted into its 2-amino-alpha-D-glucoside derivative. It is an aminoglycoside, a primary amino compound and a triamine. It derives from an alpha-D-glucose and a 2-deoxystreptamine. It is a conjugate base of a paromamine(3+).
The molecule <smiles>Nc1ccc2nc3ccc(N)cc3[s+]c2c1</smiles> is the cationic form of 3,7-diaminophenothiazine. It has the role of fluorochrome. It is also related to or classified as organic cation, organic heterotricyclic compound.
The molecule <smiles>C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C</smiles> is 2-methoxy-N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>[H][C@@]1(C[C@]([H])(C(O)O1)[C@]1([H])CC[C@]23C[C@]12CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(=O)C=C(C)C)C(C)(C)[C@]2([H])C[C@@H](O)[C@@]31C)[C@]1([H])OC1(C)C</smiles> is skimmiarepin C. It has the role of metabolite. It is also related to or classified as limonoid.
The molecule <smiles>CC[C@H](C)[C@H]1C(=O)/C(=C(\\C)/[O-])/C(=O)N1</smiles> is an organic anion that is the carbanion obtained by removal of the acidic proton from position 3 of tenuazonic acid; major speies at pH 7.3. It is a conjugate base of a tenuazonic acid.
The molecule <smiles>O(O)[C@@H](CCCC(O)=O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CC</smiles> is 5S-HpEPE. It is a conjugate acid of 5(S)-HpEPE(1-). It is also related to or classified as HPETE.
The molecule <smiles>[H][C@@]1(C[C@]([H])(C(O)O1)[C@]1([H])CC[C@]23C[C@]12CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(=O)CC(C)C)C(C)(C)[C@]2([H])C[C@@H](O)[C@@]31C)[C@]1([H])OC1(C)C</smiles> is skimmiarepin A. It has the role of metabolite. It is also related to or classified as limonoid.
The molecule <smiles>C1=C([C@H]([C@@H]([C@H]([C@H]1[NH2+][C@H]2[C@@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O)CO</smiles> is a secondary ammonium ion resulting from the protonation of the amino group of validoxylamine B; major species at pH 7.3. It is a conjugate base of a validoxylamine B.
The molecule <smiles>[I-].[I-].[H]C(=C1C=CN(CCC[N+](C)(C)C)c2ccccc12)c1sc2ccccc2[n+]1C</smiles> is A C1 cyanine dye having benzothiazolium-2-yl and quinolinium-4-yl substituents. It has the role of fluorochrome. It is also related to or classified as cyanine dye, organic iodide salt.
The molecule <smiles>C1[C@@]2(C=3CC[C@]4([C@](C3CC[C@]2([C@@H]([C@H](C1)O)C=O)[H])(CC[C@@]4([C@@H](CCC=C(C)C)C)[H])[H])C)C</smiles> is A 4-formylzymosterol in which the formyl group at position 4 has alpha-configuration. Its functional parent is 4alpha-hydroxymethylzymosterol. It is also related to or classified as 4-formylzymosterol .
The molecule <smiles>COc1ccc(cc1O)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC</smiles> is A trihydroxyflavone that consists of quercetagetin in which the hydroxy groups at positions 3, 6 and 4' have been replaced by methoxy groups. It has been isolated from Eremophila mitchellii and Athroisma proteiforme. It has the role of antineoplastic agent. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. It has the role of plant metabolite. It is also related to or classified as trihydroxyflavone, trimethoxyflavone.
The molecule <smiles>C/C=C/C1=CC2=C(C=C1)O[C@@H]([C@@H]2CO)C3=CC=C(C=C3)O</smiles> is a member of the class of benzofurans that is 2,3-dihydro-1-benzofuran substituted by a hydroxymethyl group at position 3, a prop-1-en-1-yl group at position 5 and a 4-hydroxyphenyl group at position 2. It is a lignan derivative isolated from the roots of Krameria lappacea. It has a role as an anti-inflammatory agent, a cyclooxygenase 1 inhibitor, a cyclooxygenase 2 inhibitor, a NF-kappaB inhibitor and a plant metabolite. It is a member of benzofurans, a member of phenols and a primary alcohol.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCCNS(=O)(=O)c1ccc(c(c1)S([O-])(=O)=O)C1=c2cc3CCC[N+]4=c3c(CCC4)c2Oc2c3CCCN4CCCc(cc12)c34)OC(=O)CCCCCCCCCCCCCCC</smiles> is an anionic fluorescent dye consisting of an organic heteroheptacyclic moiety conjugated to a phosphatidylethanolamine group via a sulphonamide bond. It has the role of fluorochrome. It is also related to or classified as phosphatidylethanolamine . It is also related to or classified as organosulfonate oxoanion . It is also related to or classified as organic heteroheptacyclic compound.
The molecule <smiles>CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=CC=NC=C3)C</smiles> is N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(pyridin-4-yl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>[Cl-].Nc1ccc2nc3ccc(N)cc3[s+]c2c1</smiles> is an organic chloride salt composed of 3,7-diaminophenothiazin-5-ium and chloride ions in a 1:1 ratio. A strongly metachromatic dye, useful for the staining of acid mucopolysaccharides. It is also a common nuclear stain and can be used for the demonstration of Nissl substance in nerve cells of the CNS. It has the role of fluorochrome. It has the role of histological dye. It is also related to or classified as organic chloride salt.
The molecule <smiles>COc1ccc(cc1O)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1OC</smiles> is A tetramethoxyflavone that consists of quercetagetin in which the hydroxy groups at positions 3, 6, 7 and 4' have been replaced by methoxy groups. It has been isolated from Eremophila mitchellii. It has the role of apoptosis inducer. It has the role of plant metabolite. Its functional parent is quercetagetin. It is also related to or classified as dihydroxyflavone, tetramethoxyflavone.
The molecule <smiles>CNC[C@@H](C(=O)O)N</smiles> is a non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a methylamino group. A non-proteinogenic amino acid produced by cyanobacteria, it is a neurotoxin that has been postulated as a possible cause of neurodegenerative disorders of aging such as Alzheimer's disease, amyotrophic lateral sclerosis, and the amyotrophic lateral sclerosis/parkinsonism-dementia complex (ALS-PDC) syndrome of Guam. It has a role as a neurotoxin and a bacterial metabolite. It is a secondary amino compound, a non-proteinogenic L-alpha-amino acid, a L-alanine derivative and a diamino acid.
The molecule <smiles>C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3CCCCC3)C(=O)N(C[C@@H]1OC)C)C</smiles> is N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>C[C@H]1CC[C@@H]([C@H]2C=C(CC[C@@H]12)C(O)=O)C(=C)CO</smiles> is A sesquiterpenoid isolated from the leaves of Eremophila mitchellii. It has the role of plant metabolite. It is also related to or classified as octahydronaphthalenes, hydroxy monocarboxylic acid, alpha,beta-unsaturated monocarboxylic acid, carbobicyclic compound.
The molecule <smiles>C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N</smiles> is a dicarboximide that consists of 1-oxoisoindoline bearing an amino substituent at position 4 and a 2,6-dioxopiperidin-3-yl group at position 2. Inhibits the secretion of TNF-alpha. It has a role as an angiogenesis inhibitor, an antineoplastic agent and an immunomodulator. It is a member of isoindoles, a dicarboximide, a member of piperidones and an aromatic amine.
The molecule <smiles>C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CCC3=CC=CC=C3</smiles> is 2-methoxy-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-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.
The molecule <smiles>C[C@H]([C@H]1CC[C@H](C)[C@@H]2CCC(CO)=C[C@H]12)C(O)=O</smiles> is A sesquiterpenoid isolated from the leaves of Eremophila mitchellii. It has the role of plant metabolite. It is also related to or classified as octahydronaphthalenes, sesquiterpenoid, hydroxy monocarboxylic acid, carbobicyclic compound.
The molecule <smiles>C1=CC(=C(C2=C1NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Br</smiles> is an indolyl carbohydrate that is the beta-D-glucuronide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively It has a role as a chromogenic compound. It is an organochlorine compound, an organobromine compound, an indolyl carbohydrate, a beta-D-glucosiduronic acid and a monosaccharide derivative. It derives from an indoxyl.
The molecule <smiles>CC(=NNC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3</smiles> is N-[4-[2-[2-(1-phenylethylidene)hydrazinyl]-4-thiazolyl]phenyl]acetamide. It is also related to or classified as anilide . It is also related to or classified as acetamides.
The molecule <smiles>C[C@H]([C@H]1CC[C@H](C)[C@@H]2CCC(=C[C@H]12)C(O)=O)C(O)=O</smiles> is A sesquiterpenoid isolated from the leaves of Eremophila mitchellii. It has the role of plant metabolite. It is also related to or classified as octahydronaphthalenes, sesquiterpenoid, dicarboxylic acid, carbobicyclic compound.
The molecule <smiles>CC(/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)[O-])O</smiles> is an (omega-1)-hydroxy fatty acid anion that is the conjugate base of 21-HDoHE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a hydroxydocosahexaenoate, an (omega-1)-hydroxy fatty acid anion and a long-chain fatty acid anion. It is a conjugate base of a 21-HDoHE.
The molecule <smiles>C[C@@H]1[C@H]2CC[C@H](C)[C@@H]3C=C[C@@]4(O)[C@H]([C@@H]1OC4=O)[C@H]23</smiles> is A sesquiterpene lactone isolated from the leaves of Eremophila mitchellii. 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 sesquiterpene lactone, organic heterotetracyclic compound.
The molecule <smiles>CCCCC/C=C/C(=O)O</smiles> is an olefinic fatty acid that is octanoic acid carrying a double bond at position 2 (the 2E-isomer). It has a role as an animal metabolite. It is a medium-chain fatty acid, a monounsaturated fatty acid, a straight-chain fatty acid and an olefinic fatty acid. It is a conjugate acid of a (2E)-oct-2-enoate.
The molecule <smiles>C=12C=CC=CC1C(=CC=[N+]2C)C(=C3N(C=4C(S3)=CC=CC4)C)[H]</smiles> is A cationic C1 cyanine dye having 3-methylbenzothiazolium-2-yl and 1-methylquinolinium-4-yl substituents. It has the role of fluorochrome. It is also related to or classified as cyanine dye, quinolinium ion, benzothiazolium ion.
The molecule <smiles>C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=C3C(=O)O</smiles> is 2-[[(5S,6R,9R)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-yl]methyl]benzoic acid. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>C[C@@H]1[C@H]2CC[C@H](C)[C@@H]3CC=C4[C@H]([C@@H]1OC4=O)[C@H]23</smiles> is A sesquiterpene lactone isolated from the leaves of Eremophila mitchellii. It has the role of plant metabolite. It is also related to or classified as sesquiterpene lactone, organic heterotetracyclic compound.
The molecule <smiles>C[C@H]1C(=O)[C@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O</smiles> is a doubly-charged nucleotide-sugar oxoanion obtained via deprotonation of the diphosphate OH groups of UDP-2-acetamido-2,6-dideoxy-beta-L-lyxo-hex-4-ulose; major species at pH 7.3. It is a conjugate base of an UDP-2-acetamido-2,6-dideoxy-beta-L-lyxo-hex-4-ulose.
The molecule <smiles>O[C@@H]1Cc2c(O)cc3O[C@@]4(C[C@@H](c5c(O)cc(O)cc5O4)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1</smiles> is A proanthocyanidin isolated form Ephedra sinica. It has the role of plant metabolite. It is also related to or classified as proanthocyanidin, hydroxyflavan.
The molecule <smiles>NC(=O)C(CCCCNC(=O)c1ccc(o1)[N+]([O-])=O)NC(=O)CCOCCOCCNC(=O)C1CCN(CC1)C(=O)C1CCN(CC1)C(=O)CCOCCOCCNC(=O)CCCc1c[nH]c2ccccc12</smiles> is A dipeptide that consists of two piperidine-4-carboxylic acid units (connected via amide linkages) where the amino terminus is acylated by a 3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl group and the carboxy terminus is formally condensed with the amino group of 3-[2-(2-aminoethoxy)ethoxy]propanoic acid, the carboxy group of which is in turn formally condensed with the alpha-amino group of N(6)-5-nitrofuroyllysine.    It is also related to or classified as dipeptide . It is also related to or classified as polyether . It is also related to or classified as furans, indoles, C-nitro compound.
The molecule <smiles>COC1=C(C=CC(=C1)CCNC(=O)C(C2=CC=C(C=C2)Cl)OCC#C)OCC#C</smiles> is a monocarboxylic acid amide resulting from the condensation of the carboxy group of p-chloromandelic acid propargyl ether with the amino group of 2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethylamine. It is a monocarboxylic acid amide, a terminal acetylenic compound, an aromatic ether and a member of monochlorobenzenes.
The molecule <smiles>C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O</smiles> is a glycosyl alditol consisting of alpha-L-fucopyranose and D-glucitol residues joined in sequence by a (1->2) glycosidic bond. It derives from an alpha-L-fucose and a D-glucitol.
The molecule <smiles>[H][C@]1(OC[C@@H](O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@H]2[C@@H](O[C@H](C)[C@H](OC(=O)C=Cc3ccc(OC)cc3)[C@@H]2O[C@]2([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)C[C@H](O)[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(CO)CC3)[C@H](O)[C@@H]1O</smiles> is A triterpenoid saponin isolated from Polygala senega var latifolia and has been shown to exhibit hypoglycemic activity. It has the role of hypoglycemic agent. It has the role of plant metabolite. Its functional parent is 4-methoxycinnamic acid. It is also related to or classified as pentacyclic triterpenoid, hydroxy monocarboxylic acid, cinnamate ester, triterpenoid saponin.
The molecule <smiles>OC(C(F)(F)F)C(F)(F)F</smiles> is an organofluorine compound formed by substitution of all the methyl protons in propan-2-ol by fluorine. It is a metabolite of inhalation anesthetic sevoflurane. It has the role of drug metabolite. Its functional parent is propan-2-ol. It is also related to or classified as secondary alcohol . It is also related to or classified as organofluorine compound .
The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)O)CO)O)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O</smiles> is an amino trisaccharide consisting of beta-D-galactopyranosyl. 2-acetamido-alpha-D-galactopyranosyl and 2-acetamido-D-glucopyranosyl residues joined in sequence by (1->3) glycosidic bonds. It is an amino trisaccharide and a member of acetamides. It derives from a beta-D-Gal-(1->3)-alpha-D-GalNAc.
The molecule <smiles>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)CC4CC4</smiles> is N-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]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]benzamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>C1=CC=C(C=C1)C[C@H](C(=O)O)O</smiles> is a 3-phenyllactic acid that has (R)-configuration at the 2 position. It is a 3-phenyllactic acid and a (2R)-2-hydroxy monocarboxylic acid. It is a conjugate acid of a (R)-3-phenyllactate. It is an enantiomer of a (S)-3-phenyllactic acid.
The molecule <smiles>[H][C@@]1(O[C@H]2[C@H](C)O[C@@]([H])(O[C@@H]3[C@@H](O)[C@@H](OC(=O)\C=C\C4=CC=C(OC)C(OC)=C4)[C@@H](C)O[C@H]3OC(=O)[C@]34CCC(C)(C)C[C@@]3([H])C3=CC[C@]5([H])[C@@]6(C)C[C@H](O)[C@H](O[C@]7([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C(O)=O)[C@]6([H])CC[C@@]5(C)[C@]3(CO)CC4)[C@H](O)[C@@H]2O)OC[C@@H](O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O</smiles> is A triterpenoid saponin isolated from Polygala senega var latifolia and has been shown to exhibit hypoglycemic activity. It has the role of hypoglycemic agent. It has the role of plant metabolite. It is also related to or classified as beta-D-glucoside . It is also related to or classified as pentacyclic triterpenoid, hydroxy monocarboxylic acid, cinnamate ester, dimethoxybenzene, triterpenoid saponin.
The molecule <smiles>C[N+](C)(CCO)CCCS([O-])(=O)=O</smiles> is an ammonium betaine derivative of propanesulfonic acid. One of a group of non-detergent sulfobetaines having a sulfobetaine hydrophilic group and a short hydrophobic group that cannot aggregate to form micelles. It is also related to or classified as ammonium betaine.
The molecule <smiles>C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N</smiles> is an alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. It has a role as a Daphnia magna metabolite. It is an alpha-amino acid, an aminoalkylindole, a polar amino acid and an aromatic amino acid. It contains a 1H-indol-3-ylmethyl group. It is a conjugate base of a tryptophanium. It is a conjugate acid of a tryptophanate. It is a tautomer of a tryptophan zwitterion.
The molecule <smiles>COC1OC(C)=CC2=C1C(=O)C1=C(C=C(OC)C(O)=C1O2)C(=O)OC</smiles> is an organic heterotricyclic compound that is 1H,10H-pyrano[4,3-b]chromene substituted by methoxy, methyl, hydroxy, methoxy, methoxycarbonyl, and oxo groups at positions 1, 3, 6, 7, 9 and 10, respectively. It is produced by cultures of Chaetomium sp. Goe 100/2, which was isolated from marine algae. It has the role of marine metabolite. It has the role of fungal metabolite. It is also related to or classified as methyl ester . It is also related to or classified as polyketide .  It is also related to or classified as phenols . It is also related to or classified as organic heterotricyclic compound, aromatic ether, cyclic ether, cyclic ketone.
The molecule <smiles>[H][C@]1(OC[C@@H](O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](OC(=O)\C=C/c3ccc(OC)cc3)[C@@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)C[C@H](O)[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(CO)CC3)[C@H](O)[C@@H]1O</smiles> is the Z-isomer of senegasaponin b. It is also related to or classified as senegasaponin b .
The molecule <smiles>NC(=O)C(CCCCNC(=O)c1ccc(o1)[N+]([O-])=O)NC(=O)CCOCCOCCNC(=O)C1CCN(CC1)C(=O)CNC(=O)C1CCN(CC1)C(=O)CCOCCOCCNC(=O)CCCc1c[nH]c2ccccc12</smiles> is A tripeptide that consists of a glycine residue flanked by two piperidine-4-carboxylic acid units (connected via amide linkages) where the amino terminus is acylated by a 3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl group and the carboxy terminus is formally condensed with the amino group of 3-[2-(2-aminoethoxy)ethoxy]propanoic acid, the carboxy group of which is in turn formally condensed with the alpha-amino group of N(6)-5-nitrofuroyllysine.    It is also related to or classified as polyether . It is also related to or classified as tripeptide . It is also related to or classified as furans, indoles, C-nitro compound.
The molecule <smiles>CCCC(C1=CC(=CC(=C1)C2=CC=C(C=C2)C(F)(F)F)OCC3=CC=CC=C3)C(=O)OCC</smiles> is a biphenylyl carboxylate ester, a member of (trifluoromethyl)benzenes, a benzyl ether, an aromatic ether and an ethyl ester. It contains a benzyloxy group.