anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@]12C[C@H]([C@@H]3C[C@]1([C@@]3(C(=O)O2)COC(=O)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O is a monoterpene glycoside that is albiflorin carrying a galloyl substituent at position 6. Isolated from the roots of Paeonia lactiflora. It has a role as a plant metabolite, an androgen antagonist and an antineoplastic agent. It is a beta-D-glucoside, a gamma-lactone, a gallate ester, a bridged compound, a monoterpene glycoside and a secondary alcohol. It derives from an albiflorin.
The molecule CC[NH+](CCCl)CCCNC1=C2[NH+]=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2 CC[NH+](CCCl)CCCNC1=C2[NH+]=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2 is an ammonium ion that is ICR 340 (free base) in which the tertiary amino group and the nitrogen of the benzonaphthpyridine ring are protonated. It is a conjugate acid of ICR 340 (free base) . It is also related to or classified as ammonium ion derivative .
The molecule CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl.Cl is a hydrochloride obtained by combining cariprazine with one molar equivalent of hydrochloric acid. Used for treatment of schizophrenia and bipolar disorder. It has a role as a second generation antipsychotic, a dopamine agonist and a serotonergic antagonist. It contains a cariprazine(1+).
The molecule CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O is a 1-acyl-sn-glycerol 3-phosphate having linoleyl (9Z,12Z-octadecadienoyl) as the 1-O-acyl group. It is a conjugate acid of a 1-linoleoyl-sn-glycero-3-phosphate(2-).
The molecule OC(=O)Cc1ccccc1 OC(=O)Cc1ccccc1 is A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. It has the role of auxin . It has the role of toxin . It has the role of plant growth retardant . It has the role of allergen . It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It has the role of Aspergillus metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It has the role of EC 6.4.1.1 (pyruvate carboxylase) inhibitor . Its functional parent is acetic acid . It is a conjugate acid of phenylacetate . It is also related to or classified as phenylacetic acids , benzenes , monocarboxylic acid .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=CC=N4 C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=CC=N4 is N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COc1c(O)ccc2C(=O)c3nccc4cc5OCOc5c(-c12)c34 COc1c(O)ccc2C(=O)c3nccc4cc5OCOc5c(-c12)c34 is an oxoaporphine alkaloid that is 7H-dibenzo[de,g]quinolin-7-one substituted by a methylenedioxy group across positions 1 and 2, a methoxy group at position 11 and a hydroxy group at position 10. Isolated from Hernandia nymphaeifolia and Lindera chunii, it exhibits activity against HIV-1 integrase. It has the role of metabolite . It has the role of HIV-1 integrase inhibitor . Its functional parent is aporphine .  It is also related to or classified as phenols  . It is also related to or classified as oxoaporphine alkaloid , aromatic ether , oxacycle , organic heteropentacyclic compound , cyclic ketone .
The molecule C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N is a tripeptide composed of L-glutamic acid, glycine and L-tryptophan joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-glutamic acid, a glycine and a L-tryptophan.
The molecule CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I is a benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an acetyl(methyl)amino group at the 5-position. It has a role as a radioopaque medium. It is an organoiodine compound, a benzenedicarboxamide and a member of benzoic acids.
The molecule C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O is a cytidine 3'-phosphate compound with a monophosphate group at the 3'-position. It has a role as a metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a cytidine 3'-phosphate and a pyrimidine ribonucleoside 3'-monophosphate. It is a conjugate acid of a 3'-CMP(2-).
The molecule CCCCC/C=C\\C=C\\C(C/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O)O is an oxylipin that is the 15-hydoxy derivative of (6Z,9Z,12Z,16E,18Z)-tetracosa-6,9,12,16,18-pentaenoic acid. Isolated from soft cora Sinularia numerosa, it exhibits anti-angiogenic activity. It has a role as a metabolite and an angiogenesis modulating agent. It is an oxylipin, a secondary alcohol, a long-chain fatty acid and a polyunsaturated fatty acid.
The molecule [H][C@]12C[C@@H](N)[C@@H](OC)[C@](C)(O1)n1c3ccc(O)c(O)c3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 [H][C@]12C[C@@H](N)[C@@H](OC)[C@](C)(O1)n1c3ccc(O)c(O)c3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 is A indolocarbazole alkaloid that is 4'-N-demethyl staurosporine substituted by hydroxy groups at positions 8 and 9 and an xo group at position 7. Isolated from Cystodytes solitus, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is staurosporine . It is also related to or classified as phenols  . It is also related to or classified as indolocarbazole alkaloid , organic heterooctacyclic compound , indolocarbazole .
The molecule C1=CC(=CC=C1C(=O)Cl)Cl is an acyl chloride consisting of benzoyl chloride having a chloro substituent in the para-position. It is an acyl chloride and a member of monochlorobenzenes. It derives from a 4-chlorobenzoic acid.
The molecule CCCCCCCCCC(=O)OCC(C)C is a decanoate ester obtained by the formal condensation of the carboxy group of decanoc acid (capric acid) with the alcoholic hydroxy group of isobutanol. It has a role as a metabolite. It derives from an isobutanol.
The molecule C(=C(/C(=O)[O-])\\[O-])\\C(=O)O is a C4-dicarboxylate resulting from the removal of a proton from both carboxylic acid groups of enol-oxaloacetic acid. It is a C4-dicarboxylate and a dicarboxylic acid dianion. It derives from a butenedioate. It is a conjugate acid of an enol-oxaloacetic acid.
The molecule C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@@](C4)(CO)O)(C)C(=O)O is a ent-kaurane diterpenoid that is ent-kaurane-19-oic acid substituted by hydroxy groups at positions 16 and 17 (the 16beta stereoisomer). It is isolated from Helianthus sp. and Annona squamosa and exhibits anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It is an ent-kaurane diterpenoid, a hydroxy monocarboxylic acid, a diol, a tertiary alcohol, a primary alcohol and a bridged compound.
The molecule C(C(=O)[C@H](C(=O)[O-])O)OP(=O)([O-])[O-] is a hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and phosphate OH groups of (R)-2-hydroxy-3-oxo-4-(phosphonooxy)butanoic acid; major species at pH 7.3. It is a hydroxy monocarboxylic acid anion, an organophosphate oxoanion and a 3-oxo monocarboxylic acid anion. It is a conjugate base of a (R)-2-hydroxy-3-oxo-4-(phosphonooxy)butanoic acid. It is an enantiomer of a (S)-2-hydroxy-3-oxo-4-(phosphonatooxy)butanoate(3-).
The molecule CCN(CCCl)CCCNC1=C2N=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2 CCN(CCCl)CCCNC1=C2N=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2 is an organic heterotricyclic compound that is benzo[b][1,5]naphthyridine substituted by methoxy, chloro and {3-[(2-chloroethyl)(ethyl)amino]propyl}amino groups at positions 2, 7 and 10, respectively.   It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heterotricyclic compound , aromatic ether , secondary amino compound , tertiary amino compound .
The molecule [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccc(O)c(O)c3c3c4C(=O)NC(=O)c4c4c5cc(O)ccc5n2c4c13 [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccc(O)c(O)c3c3c4C(=O)NC(=O)c4c4c5cc(O)ccc5n2c4c13 is A indolocarbazole alkaloid that is staurosporine substituted by hydroxy groups at positions 3, 8 and 9 and an oxo group at position 7. Isolated from Cystodytes solitus, it exhibits cytotoxic activity. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is staurosporine . It is also related to or classified as polyphenol , indolocarbazole alkaloid , organic heterooctacyclic compound , indolocarbazole .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@@H]1OC)C)C)C C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@@H]1OC)C)C)C is N-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-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 C1=C(C(=O)[C@@H]([C@H]([C@@H]1O)O)O)O is a member of the class of cyclohexenones that is cyclohex-2-en-1-one substituted by hydroxy groups at positions 2, 4, 5 and 6 (the 4R,5S,6R-stereoisomer). It is a member of cyclohexenones, an enone and an enol. It derives from a cyclohex-2-enone. It is a conjugate acid of a (3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate. It is a tautomer of a 3D-3,5/4-trihydroxycyclohexane-1,2-dione.
The molecule [H][C@]12CC[C@]([H])(C1)C(=O)C2 [H][C@]12CC[C@]([H])(C1)C(=O)C2 is A norcamphor that has 1R,4S-stereoconfiguration. It is also related to or classified as norcamphor  .
The molecule OC(=O)CC1=CC(O)=CC(O)=C1 OC(=O)CC1=CC(O)=CC(O)=C1 is A monocarboxylic acid that is phenylacetic acid carrying two hydroxy substituents at positions 3 and 5 on the benzene ring. It has the role of drug metabolite . Its functional parent is phenylacetic acid . It is a conjugate acid of (3,5-dihydroxyphenyl)acetate . It is also related to or classified as phenylacetic acids , resorcinols , monocarboxylic acid .
The molecule CN1CCC2=C[C@@H]([C@@H]3[C@H]([C@@H]21)C4=CC5=C(C=C4C(=O)O3)OCO5)O is an indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. It has a role as an antineoplastic agent and a metabolite. It is an indole alkaloid, a delta-lactone, a secondary alcohol and an organic heteropentacyclic compound.
The molecule CC(=O)OCCCC1=CC=CC=C1 is the acetate ester of 3-phenylpropan-1-ol. It has a role as a metabolite and a fragrance. It is a member of benzenes and an acetate ester.
The molecule CCCCCCCCCCCCC\C=C\C(O)=O CCCCCCCCCCCCC\C=C\C(O)=O is A hexadecenoic acid having a trans-double bond at the 2-position. It has the role of metabolite . It is a conjugate acid of (E)-hexadec-2-enoate . It is also related to or classified as hexadecenoic acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O is A tripeptide composed of L-glutamic acid, L-arginine, and glycine joined in sequence by peptide linkages. Its functional parent is glycine . Its functional parent is L-glutamic acid . Its functional parent is L-arginine . It is also related to or classified as tripeptide  .
The molecule [H][C@@]1(CC[C@@]2(C)[C@]3([H])C(=O)C=C4[C@@]([H])(CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C)[C@H](C)CCC=C(C)C [H][C@@]1(CC[C@@]2(C)[C@]3([H])C(=O)C=C4[C@@]([H])(CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C)[C@H](C)CCC=C(C)C is A tetracyclic triterpenoid that is the 7-oxo derivative of cucurbitadienol. Isolated from Trichosanthes kirilowii, it exhibits anti-inflammatory activity. It has the role of metabolite . It has the role of anti-inflammatory agent . Its functional parent is cucurbitadienol . It is also related to or classified as tetracyclic triterpenoid , cyclic terpene ketone .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OCCCCCCCC/C=C\\CCCCCC is a wax ester obtained by the formal condensation of hexadecen-1-ol with oleic acid. It derives from an oleic acid and a palmitoleyl alcohol.
The molecule C1=CC=C(C=C1)C[C@@H](COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4 is a carboxylic ester resulting from the formal condensation of the carboxy group of N-benzoyl-L-phenylalanine with the hydroxy group of N-benzoyl-L-phenylalaninol. A metabolite found in several Pencillium and Aspergillus species, as well as in plants as a product of endophytic fungi. It has a role as an antineoplastic agent. It is a L-phenylalanine derivative, a member of benzamides and a carboxylic ester. It derives from a N-benzoyl-L-phenylalanine and a N-benzoyl-L-phenylalaninol.
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O is an oligosaccharide sulfate consisting of 2-O-sulfo-beta-D-glucopyranuronic acid and 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose residues joined in sequence by a (1->4) glycosidic bond. It is a disaccharide derivative, an oligosaccharide sulfate and a member of sulfamic acids.
The molecule CCS[C@H]1[C@H]2C(=O)N([C@]3(C[C@@H]3C)C(=O)OC[C@H](C(=O)N[C@H](C(=O)N([C@@H](CS1)C(=O)N([C@]4(C[C@@H]4C)C(=O)OC[C@H](C(=O)N[C@H](C(=O)N2C)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O)C is a heterodetic cyclic peptide that is biosynthesised by an engineered strain of Escherichia coli It has a role as an Escherichia coli metabolite. It is a heterodetic cyclic peptide, a dithioacetal and a monohydroxyquinoline.
The molecule COC(=O)c1c(oc2cc(O)cc(O)c12)-c1ccc(O)c(O)c1 COC(=O)c1c(oc2cc(O)cc(O)c12)-c1ccc(O)c(O)c1 is A member of the class of 1-benzofurans that is 1-benzofuran substituted by hydroxy groups at positions 4 and 6, a 3,4-dihydroxyphenyl group at position 2 and a methoxy carbonyl at position 3. Isolated from  black colored rice bran of Oryza sativa, it exhibits antioxidant activity. It has the role of antioxidant . It has the role of metabolite .  It is also related to or classified as carboxylic ester  . It is also related to or classified as polyphenol , 1-benzofurans .
The molecule P1(OC=2C(C3=C(C(C)C)C=C(C=C3C(C)C)C(C)C)=CC=4C(C2C5=C(O1)C(C6=C(C(C)C)C=C(C=C6C(C)C)C(C)C)=CC=7C5=CC=CC7)=CC=CC4)(O)=O P1(OC=2C(C3=C(C(C)C)C=C(C=C3C(C)C)C(C)C)=CC=4C(C2C5=C(O1)C(C6=C(C(C)C)C=C(C=C6C(C)C)C(C)C)=CC=7C5=CC=CC7)=CC=CC4)(O)=O is (S)-TRIP. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O is a flavin adenine dinucleotide. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a FADH2(2-).
The molecule O=C(N[C@H](C(=O)CC)[C@H](CC)C)[C@H]1N(NCCC1)C(=O)[C@@H](CC(=O)NO)CCCCC O=C(N[C@H](C(=O)CC)[C@H](CC)C)[C@H]1N(NCCC1)C(=O)[C@@H](CC(=O)NO)CCCCC is Matlystatin A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N is a tripeptide composed of L-phenylalanine, L-alanine, and glycine joined by peptide linkages. It has a role as a metabolite. It derives from a L-phenylalanine, a L-alanine and a glycine.
The molecule CN(C)C1CSSSC1 is an organosulfur heterocyclic compound that is 1,2,3-trithiane in which one of the hydrogens at position 5 has been replaced by a dimethylamino group. A nicotinic acetylcholine receptor agonist, it was used (particularly as its hydrogen oxalate salt, known as thyocyclam oxalate) as a broad-spectrum insecticide, but it is also toxic to bees, fish and other aquatic organisms. It is not approved for use within the European Union. It has a role as an agrochemical and a nicotinic acetylcholine receptor agonist. It is a nereistoxin analogue insecticide and an organosulfur heterocyclic compound. It is a conjugate base of a thiocyclam(1+). It derives from a hydride of a 1,2,3-trithiane.
The molecule OC1=CC(CC([O-])=O)=CC(O)=C1 OC1=CC(CC([O-])=O)=CC(O)=C1 is A dihydroxy monocarboxylic acid anion that is the conjugate base of (3,5-dihydroxyphenyl)acetic acid, arising from deprotonation of the carboxy group; major microspecies at pH 7.3. It is also related to or classified as hydroxy monocarboxylic acid anion .
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)CC3CC3 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)CC3CC3 is 1-[(4R,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-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 O1C(C1C(=O)NCCCCN)C2=CC(OC)=C(O)C=C2 O1C(C1C(=O)NCCCCN)C2=CC(OC)=C(O)C=C2 is N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboximidic acid. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CC1(C)CCc2c(O1)c(C1CC(C)(C)Oc3cc(O)c4c([nH]c5c(O)cccc5c4=O)c13)c(O)c1c2[nH]c2c(O)cccc2c1=O CC1(C)CCc2c(O1)c(C1CC(C)(C)Oc3cc(O)c4c([nH]c5c(O)cccc5c4=O)c13)c(O)c1c2[nH]c2c(O)cccc2c1=O is an alkaloid of the class of acridone derivatives isolated from Oriciopsis glaberrima and has been shown to exhibit radical scavenging and alpha-glucosidase inhibitory activity. It has the role of metabolite . It has the role of radical scavenger . It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor . It is also related to or classified as alkaloid  . It is also related to or classified as polyphenol , ring assembly , cyclic ether , organic heterotetracyclic compound , acridone derivatives .
The molecule CC1=C2C3=C(C=C(OC3=CC1=O)C4=CC=CC=C4)C5=C6C(=C(C=C5O2)OC)CC[C@H](O6)C7=CC=CC=C7 is a proanthocyanidin isolated from Dracaena draco. It has a role as a plant metabolite. It is a proanthocyanidin and an aromatic ether.
The molecule O(C(=O)C1CC1)C O(C(=O)C1CC1)C is A methyl ester derived from cyclopropanecarboxylic acid. Its functional parent is cyclopropanecarboxylic acid . It is also related to or classified as methyl ester  . It is also related to or classified as cyclopropanes .
The molecule CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)N is a dipeptide composed of L-isoleucine and L-histidine joined by a peptide linkage. It has a role as a metabolite. It derives from a L-isoleucine and a L-histidine.
The molecule CC1=CC(=CC(=C1C2=C(C3=C(C=C2O)OC4=CC(=O)C(=C(C4=N3)C)C5=C(C=C(C=C5C)O)O)C)O)O is a member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying an additional hydroxy substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl substituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are both on the same side of the plane of the phenoxazine ring system. A component of orcein, a mixture of dyes isolated from lichens. It has a role as a food colouring, a histological dye and a plant metabolite. It is a cyclic ketone, a phenoxazine, a polyphenol and a member of resorcinols.
The molecule CC(=C)[C@H]1Cc2c(O1)cc(O)c1c2[nH]c2c(O)cccc2c1=O CC(=C)[C@H]1Cc2c(O1)cc(O)c1c2[nH]c2c(O)cccc2c1=O is an alkaloid of the class of acridone derivatives that is 1,11-dihydrofuro[2,3-c]acridin-6(2H)-one substituted by hydroxy groups at positions 5 and 10 and a prop-1-en-2-yl group at position 2. Isolated from Oriciopsis glaberrima, it exhibits radical scavenging and alpha-glucosidase inhibitory activity. It has the role of metabolite . It has the role of radical scavenger . It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor . It is also related to or classified as alkaloid  . It is also related to or classified as polyphenol , cyclic ether , organic heterotetracyclic compound , acridone derivatives .
The molecule ClC1=C(OCC(O)CNCCCC)C=C(C=C1)C(O)=O ClC1=C(OCC(O)CNCCCC)C=C(C=C1)C(O)=O is Carboxybupranolol, 4-chloro-3-[3-(1,1-dimethylethylamino)-2-hydroxy-propyloxy]benzoic acid. It is also related to or classified as organohalogen compound  . It is also related to or classified as benzoic acids .
The molecule C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN(C4=N)O)O)OP(=O)(O1)O is a 3',5'-cyclic purine nucleotide obtained by oxygenation of the nitrogen at position 1 on the purine fragment of 3',5'-cyclic AMP. It is a N-oxide, a 3',5'-cyclic purine nucleotide and an adenyl ribonucleotide. It derives from a 3',5'-cyclic AMP.
The molecule CC/C=C\\C=C\\C=C\\C=C/CCCCCCCC(=O)[O-] is a straight-chain, unsaturated, long-chain fatty acid anion that is the conjugate base of cis-parinaric acid, arising from deprotonation of the carboxylic acid group. It is a long-chain fatty acid anion, a straight-chain fatty acid anion and a polyunsaturated fatty acid anion. It is a conjugate base of a (9Z,11E,13E,15Z)-octadecatetraenoic acid.
The molecule CC(C(O)=O)c1ccccc1 CC(C(O)=O)c1ccccc1 is A 2-arylpropionic acid carrying a phenyl group at position 2. It is a metabolite of alpha-methylstyrene (AMS), a volatile hydrocarbon. It has the role of human xenobiotic metabolite . Its functional parent is phenylacetic acid . It is also related to or classified as 2-arylpropionic acid  .
The molecule CC(=O)NCCCC(C(=O)[O-])[NH3+] is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N(5)-acetylornithine; major species at pH 7.3. It is a tautomer of a N(5)-acetylornithine.
The molecule C[C@@H]1[C@H](CC[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N is a pyrimidine nucleotide-sugar having thymine as the nucleobase and 4-amino-2,3,4,6-tetradeoxy-alpha-D-glucose as the sugar component. It has a role as a bacterial metabolite. It is a conjugate acid of a dTDP-4-ammonio-2,3,4,6-tetradeoxy-alpha-D-glucose(1-).
The molecule CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+] is a barbiturate that is the sodium salt of phenobarbital (barbituric acid substituted at C-5 by ethyl and phenyl groups). It is an organic sodium salt and a member of barbiturates. It contains a phenobarbital.
The molecule [H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2OC(C)=O)OC(C)=O [H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2OC(C)=O)OC(C)=O is Triptogelin C-1. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule C[C@@H](C=O)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)CO is a pentacyclic triterpenoid that is lupan-30-al with a hydroxy substituent at position 28 and an oxo group at position 3 (the 20R stereoisomer). Isolated from Acacia mellifera, it exhibits cytotoxicity activity against the NSCLC-N6 cell line, derived from a human non-small-cell bronchopulmonary carcinoma. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a primary alcohol and an aldehyde. It derives from a hydride of a lupane.
The molecule C1CCN2CC[C@H]3C(=C[C@@](CC/C=C\\C1)([C@H]4[C@]3(C2)C[C@H]/5N4CCCC/C=C5)O)C6=NC=CC7=C6NC8=C7C=C(C=C8)O is an alkaloid that is manzamine A with a hydroxy substituent at position 6. Isolated from Haliclona and Acanthostrongylophora, it exhibits inhibitory activity against Glycogen Synthase Kinase-3 (EC 2.7.11.26). It has a role as a metabolite and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is a member of beta-carbolines, an alkaloid and a member of isoquinolines. It derives from a manzamine A.
The molecule C[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@]5(CC[C@@H]([C@@H]5CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)[C@H](C)C[C@H]([C@H]([C@H]([C@H](CN)O)O)O)O)C)C is a member of the class of hopanoids that is bacteriohopane-31,32,33,34-tetrol carrying additional methyl and amino substituents at positions 3 and 35 respectively. Isolated from Methylococcus capsulatus. It has a role as a bacterial metabolite. It is a hopanoid, a tetrol and a primary amino compound.
The molecule O=C\C(=N\CC(O)=O)\CCCCC=C O=C\C(=N\CC(O)=O)\CCCCC=C is 1,7-octadienoylglycine. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .