blc-org/A-secret-data-repo huggingface dataset:
Task: molecular description generation
molecule: CC=Cc1ccc2oc(-c3ccc(Oc4cc(-c5oc6ccc(C=CC)cc6c5C)ccc4O)cc3)c(C)c2c1
Answer: The molecule is a natural product found in Piper aequale with data available.
Task: molecular description generation
molecule: CC(=O)Nc1ccccc1C
Answer: The molecule appears as colorless crystals. Insoluble in water.
Task: molecular description generation
molecule: CCCCCCCCC=CCCCCCCCCC(=O)O
Answer: The molecule is the (Z)-stereoisomer of 10-nonadecenoic acid.
Task: molecular description generation
molecule: C=CC(C=C(C)C)C(C)(C)O
Answer: The molecule is a natural product found in Santolina corsica, Artemisia annua, and Artemisia herba-alba with data available.
Task: molecular description generation
molecule: COC1C(COC2CC(O)C(N)CO2)OC(n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)C(O)C1O
Answer: The molecule is a natural product found in Actinomadura melliaura with data available.
Task: molecular description generation
molecule: O=P(O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O
Answer: The molecule is a myo-inositol tetrakisphosphate having the four phosphate groups placed at the 3-, 4-, 5- and 6-positions. It has a role as a mouse metabolite. It is functionally related to a myo-inositol. It is a conjugate acid of a 1D-myo-inositol 3,4,5,6-tetrakisphosphate(8-).
Task: molecular description generation
molecule: CCCC=CC=CC1Cc2cc(O)cc(O)c2C(=O)O1
Answer: The molecule is a natural product found in Aspergillus with data available.
Task: molecular description generation
molecule: CCC=CC=CC1(C)OC(C2C(C)Oc3cc(O)c(C)c4c3C2OC(C)C4C)=C(C(=O)O)C1=O
Answer: The molecule is a natural product found in Aspergillus with data available.
Task: molecular description generation
molecule: CC(C)c1cc2c(c(O)c1O)C13CCCC(C)(C)C1C(O)C2OC3O
Answer: The molecule is a natural product found in Salvia aspera with data available.
Task: molecular description generation
molecule: COc1cc(C=CC(=O)OCC2OC(OCC3=CCC4C(CO)C(=O)OCC34)C(O)C(O)C2O)cc(OC)c1O
Answer: The molecule is a natural product found in Gardenia jasminoides with data available.
Task: molecular description generation
molecule: CCCCCC(O)CCC1C(O)CC(O)C1CC=CCCCC(=O)[O-]
Answer: The molecule is a prostaglandin carboxylic acid anion that is the conjugate base of 13,14-dihydroprostaglandin F2alpha, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 13,14-dihydroprostaglandin F2alpha.
Task: molecular description generation
molecule: O=C(O)CCCC#CC=CC(O)C(O)CCC=CC=CBr
Answer: The molecule is a natural product found in Xestospongia testudinaria with data available.
Task: molecular description generation
molecule: CC(=O)OC1CC2CC1C1CC=CC21
Answer: The molecule is a natural product found in Solanum lycopersicum with data available.
Task: molecular description generation
molecule: CN(C)C(=O)CC1CC2c3cc(NS(C)(=O)=O)ccc3OC2C(CO)O1
Answer: The molecule is a sulfonamide.
Task: molecular description generation
molecule: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Answer: The molecule is a 26-carbon long-chain saturated fatty acid with the chemical formula CH3(CH2)24COOH. It is most commonly found in beeswax and carnauba wax, and is a white crystalline solid. (Wikipedia) X-linked adrenoleukodystrophy (X-ALD) is a peroxisomal disorder biochemically characterized by the accumulation of very long chain fatty acids (VLCFA), particularly hexacosanoic acid (C(26:0)) and tetracosanoic acid (C(24:0)), in tissues and biological fluids. (A3378)
Task: molecular description generation
molecule: C=C1C(O)CCC(C)=CC2OC(=O)C(C)C2CC1O
Answer: The molecule is a natural product found in Artemisia fragrans and Artemisia sieberi with data available.
Task: molecular description generation
molecule: CC=Cc1occ(C(=O)c2c(OC)cc(O)cc2C(=O)OC)c(=O)c1OC
Answer: The molecule is a natural product found in Penicillium with data available.
Task: molecular description generation
molecule: COC(=O)C1(OC)CC2(O)CC3(C)OC(=O)c4c(O)cc(OC)cc4C3=CC2O1
Answer: The molecule is a natural product found in Phialophora with data available.
Task: molecular description generation
molecule: C=C(C)C#CC12OC1C1OC(C)(C)C(O)CC13OC3C2O
Answer: The molecule is a natural product found in Beauveria felina with data available.
Task: molecular description generation
molecule: Cc1noc(C)c1NC(=O)Nc1cccc2c1OC(CN(C)Cc1ccncc1)C(C)CN(C(C)CO)C2=O
Answer: The molecule is an aromatic ether.
Task: molecular description generation
molecule: CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(C)C(O)C1C
Answer: The molecule is a cyclodepsipeptide.
Task: molecular description generation
molecule: O=C(O)CCCOC1OC(C(=O)O)C(O)C(O)C1O
Answer: The molecule is a lipopolysaccharide.
Task: molecular description generation
molecule: CC(=O)C1=COCC2C1CC1c3c(c4ccccc4n3C)CC2N1C
Answer: The molecule is a natural product found in Alstonia angustifolia and Alstonia macrophylla with data available.
Task: molecular description generation
molecule: CC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O
Answer: The molecule is a natural product found in Lupinus albus with data available.
Task: molecular description generation
molecule: CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
Answer: The molecule is effective as an anesthetic during surgery, for supplementation of analgesia during surgical procedures, and as an analgesic for critically ill patients.
Task: molecular description generation
molecule: Cc1ccc(C2(C)CCCC2(C)C)cc1
Answer: The molecule is a natural product found in Gymnomitrion obtusum, Thymus camphoratus, and other organisms with data available.
Task: molecular description generation
molecule: C=C1CCC2OC3(C(C)C(=O)OC3C1Cl)C(OC(C)=O)C1C(C)(O)C(OC(C)=O)CC(OC(C)=O)C21C
Answer: The molecule is a natural product found in Erythropodium caribaeorum with data available.
Task: molecular description generation
molecule: CC(=CCC=C(C)C1CNC(C(=O)O)C1CC(=O)O)C(=O)O
Answer: The molecule is an L-proline derivative that is L-proline substituted by a carboxymethyl group at position 3 and a 6-carboxyhepta-2,5-dien-2-yl group at position 4. It is isolated from the red alga, Chondria armata. It has a role as an algal metabolite and a marine metabolite. It is a tricarboxylic acid, a L-proline derivative, a pyrrolidinecarboxylic acid and an olefinic compound. It is a conjugate acid of an isodomoate A(2-).
Task: molecular description generation
molecule: CCCCCCCCCC(C)OC(C)=O
Answer: The molecule is a natural product found in Ruta graveolens with data available.
Task: molecular description generation
molecule: CC(=O)NC1C(O)OC(COC2OC(CO)C(OC3OC(CO)C(O)C(OS(=O)(=O)O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2NC(C)=O)C(O)C1OC1OC(CO)C(O)C(O)C1O
Answer: The molecule is an amino sugar.
Task: molecular description generation
molecule: CC(O)C#Cc1ccc2c(c1)OC(CN(C)C(=O)NC(C)C)C(C)CN(C(C)CO)S2(=O)=O
Answer: The molecule is an aromatic ether.
Task: molecular description generation
molecule: COc1cc(C2OCC3(O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O
Answer: The molecule is a natural product found in Valeriana officinalis, Olea europaea, and other organisms with data available.
Task: molecular description generation
molecule: CSCCC(NC(=O)CN)C(=O)NC(CC(N)=O)C(=O)O
Answer: The molecule is a peptide.
Task: molecular description generation
molecule: C=C(C)C=C=C1CC2OC(C(C)(C)O)CC2(O)C(Cl)C1O
Answer: The molecule is a natural product found in Truncatella angustata with data available.
Task: molecular description generation
molecule: Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c2c1C(=C=[N-])C=N2
Answer: The molecule is a sulfonamide.
Task: molecular description generation
molecule: C=C1NC(=O)C(CC)NC(=O)CNC(=O)C(Cc2c(C)[nH]c3cccc(OC)c23)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2csc(n2)C(C)NC(=O)CN(C)C1=O
Answer: The molecule is a natural product found in Archangium gephyra with data available.
Task: molecular description generation
molecule: CC(O)C#Cc1ccc(C2C(CO)N3CCCCN(C(=O)c4ccc5c(c4)OCO5)CC23)cc1
Answer: The molecule is a member of benzenes, a ring assembly and a member of azetidines.
Task: molecular description generation
molecule: COCCOCC(C)N
Answer: The molecule is any one of a class of diblock copolymers with a structure consisting of a primary amino group attached to the end of a polyether backbone based on blocks of propylene oxide and ethylene oxide. Molecular weights are typically of the order of 600-2000. The compounds are used in protein crystallisation. It has a role as a crystallisation adjutant.
Task: molecular description generation
molecule: COc1cc(OC)c(C(=O)CC(=O)c2ccccc2)c(O)c1C
Answer: The molecule is a natural product found in Leptospermum scoparium with data available.
Task: molecular description generation
molecule: CCC(C)C([NH3+])C(=O)[O-]
Answer: The molecule is a metabolite found in or produced by Saccharomyces cerevisiae.
Task: molecular description generation
molecule: CCC(C)C1NC(=O)C(Cc2ccc(O)c(Cl)c2)N(C)C(=O)C(C(C)CC)N2C(=O)C(CCC2O)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(COS(C)(=O)=O)OS(=O)(=O)O)C(C)OC1=O
Answer: The molecule is a natural product found in Microcystis aeruginosa with data available.
Task: molecular description generation
molecule: [NH3+]C(CCCCNC(=O)CCC([NH3+])C(=O)[O-])C(=O)[O-]
Answer: The molecule is an L-alpha-amino acid zwitterion that is the dizwitterionic form of epsilon-(gamma-glutamyl)lysine obtained by migration of protons from both carboxy groups to the amino groups; major species at pH 7.3. It is a tautomer of an epsilon-(gamma-glutamyl)lysine.
Task: molecular description generation
molecule: COc1c(O)cc2c(=O)oc3c(O)c(OC4OC(C)C(O)C(O)C4OC(C)=O)cc4c(=O)oc1c2c34
Answer: The molecule is a natural product found in Caryocar villosum with data available.
Task: molecular description generation
molecule: CS(=O)CCCCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
Answer: The molecule is a natural product found in Arabidopsis thaliana with data available.
Task: molecular description generation
molecule: Cc1cc(=O)c2c(O)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1
Answer: The molecule is a natural product found in Eucalyptus cypellocarpa, Syzygium aromaticum, and Rubus sanctus with data available.
Task: molecular description generation
molecule: CC1(C)C=Cc2cc(-c3coc4cc5c(c(O)c4c3=O)CC(C(C)(C)O)O5)ccc2O1
Answer: The molecule is a natural product found in Ulex airensis with data available.
Task: molecular description generation
molecule: CC(C)=CCc1ccc(O)c2c1C(O)CC(C(C)O)OC2=O
Answer: The molecule is a natural product found in Pestalotiopsis with data available.
Task: molecular description generation
molecule: COCc1cn(CCC2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)C(CO)O2)nn1
Answer: The molecule is a C-glycosyl compound.
Task: molecular description generation
molecule: COc1ccc(C(C)(C)O)cc1
Answer: The molecule is a tertiary alcohol that is propan-2-ol substituted by a 4-methoxyphenyl group at position 2. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is a monomethoxybenzene and a tertiary alcohol.
Task: molecular description generation
molecule: CCCCCCCCCCCCC(O)C1CCC(C(O)CCC(O)CCCCCCCC(O)CC2=CC(C)OC2=O)O1
Answer: The molecule is a natural product found in Asimina triloba with data available.
Task: molecular description generation
molecule: CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C
Answer: The molecule is a limonoid.
Task: molecular description generation
molecule: Oc1ccccc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O
Answer: The molecule is a natural product found in Alangium chinense with data available.
Task: molecular description generation
molecule: CC1(C)SC2C(NC(=O)C(C(=O)O)c3ccsc3)C(=O)N2C1C(=O)O
Answer: The molecule is a broad-spectrum, semi-synthetic penicillin antibiotic with bactericidal activity. Similar to carbenicillin in action, ticarcillin inactivates the penicillin-sensitive transpeptidase C-terminal domain by opening the lactam ring. This inactivation prevents the cross-linkage of peptidoglycan strands, thereby inhibiting the third and last stage of bacterial cell wall synthesis. This leads to incomplete bacterial cell wall synthesis and eventually causes cell lysis.
Task: molecular description generation
molecule: CC(C)=CCc1c(-c2cc(O)c(O)cc2O)oc2c(CC=C(C)C)c3c(c(O)c2c1=O)C=CC(C)(C)O3
Answer: The molecule is a member of flavones.
Task: molecular description generation
molecule: CC1=CC(C)CC2(C)CCC(O2)C23CCC(CO)(CC(O2)C2OC(C)(CC2=O)C(O)C2CCC4(CCCC(O4)C(C)C(=O)OC4CC(C5(O)OCCC(C)C5O)OC4C=C1)O2)O3
Answer: The molecule is a natural product found in Mizuhopecten yessoensis with data available.
Task: molecular description generation
molecule: NC(=O)CCC(NC(=O)c1cc2c([nH]c3ccc(O)cc32)c(CCC(=O)N2CCCC2C(=O)O)n1)C(=O)O
Answer: The molecule is a natural product found in Mycena metata with data available.
Task: molecular description generation
molecule: C=C1CCC2C(C)(C)CCCC2(C)C1CC=C1C=COC1=O
Answer: The molecule is a natural product found in Zingiber ottensii with data available.
Task: molecular description generation
molecule: O=C([O-])CC([S-])C(=O)[O-]
Answer: The molecule is a carboxylic acid trianion. It is functionally related to a succinate(2-). It is a conjugate base of a thiomalate(2-).
Task: molecular description generation
molecule: C=C1C=C2CC(OC3OC(O)C(O)C(O)C3NC(C)=O)C3C(CCC4(C)C(C(C)CCCC(C)COC(C)=O)CCC34)C2(C)CC1
Answer: The molecule is a natural product found in Pardachirus marmoratus with data available.
Task: molecular description generation
molecule: CC(C)=CCc1ccc(-c2oc3c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c3c(=O)c2O)cc1O
Answer: The molecule is a natural product found in Dorstenia psilurus with data available.
Task: molecular description generation
molecule: CN(C)CC#Cc1ccc(C2C(CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)CC23)cc1
Answer: The molecule is a member of benzenes, a ring assembly and a member of azetidines.
Task: molecular description generation
molecule: CCC(=O)c1c(O)cc(OCC=C(C)C)cc1O
Answer: The molecule is a natural product found in Helichrysum spiralepis with data available.
Task: molecular description generation
molecule: COCCNC(=O)c1cc(-c2cccc(OC)c2)on1
Answer: The molecule is a member of methoxybenzenes.
Task: molecular description generation
molecule: Oc1cc(O)c2c(c1)CC(O)C(c1ccc(O)c(O)c1)O2
Answer: The molecule is a natural product found in Fagopyrum esculentum and Leucaena leucocephala with data available.
Task: molecular description generation
molecule: CC[N+](C)(C)CCOC(C)=O
Answer: The molecule is an acylcholine.
Task: molecular description generation
molecule: C=Cc1c(C)c2cc3nc(c4c5[n-]c(cc6nc(cc1[n-]2)C(C=O)=C6CC)c(C)c5C(=O)C4C(=O)OC)C(CCC(=O)[O-])C3C.[Mg+2]
Answer: The molecule is a cyclic tetrapyrrole anion that is the conjugate base of chlorophyllide b, arising from deprotonation of the carboxy group. It is a cyclic tetrapyrrole anion and a monocarboxylic acid anion. It is a conjugate base of a chlorophyllide b. It is a conjugate acid of a chlorophyllide b(2-).
Task: molecular description generation
molecule: C1COCCO1
Answer: The molecule is a dioxane with oxygen atoms at positions 1 and 4. It has a role as a non-polar solvent, a carcinogenic agent and a metabolite. It is a volatile organic compound and a dioxane.
Task: molecular description generation
molecule: COC1CC(C)(OC2CCC3(C)C(=CCC4(O)C3C(OC(C)=O)C(OC(=O)c3ccccc3)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3(O)OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1
Answer: The molecule is a natural product found in Orbea variegata and Ceropegia variegata with data available.
Task: molecular description generation
molecule: Cc1nc2c(=O)nc([O-])nc-2n(CC(O)C(O)C(O)CO)c1C
Answer: The molecule is the anion formed from 6,7-dimethyl-8-(1-D-ribityl)lumazine by removal of a proton from the nitrogen at position 3 (i.e. between the oxo groups). It is the major species at physiological pH. It has a role as a Saccharomyces cerevisiae metabolite and a cofactor. It is a conjugate base of a 6,7-dimethyl-8-(1-D-ribityl)lumazine.
Task: molecular description generation
molecule: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
Answer: The molecule is a phosphatidylethanolamine.
Task: molecular description generation
molecule: O=C(CC1CC2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3OC2C(CO)O1)NCc1ccc(Cl)cc1
Answer: The molecule is a member of ureas.
Task: molecular description generation
molecule: O=C(O)CCCC(O)C=CC=CC=CC(O)CC=CCCCCCO
Answer: The molecule is a natural product found in Homo sapiens with data available.
Task: molecular description generation
molecule: COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C(OC(=O)c1ccccc1)C(C)(O)C(C)C2
Answer: The molecule is a natural product found in Schisandra chinensis with data available.
Task: molecular description generation
molecule: [O-]C(=Nc1c[n+](N2CCOCC2)no1)C1CCCCC1
Answer: The molecule is a member of morpholines.
Task: molecular description generation
molecule: Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
Answer: The molecule has been investigated for the treatment of Hepatitis C, Chronic.
Task: molecular description generation
molecule: CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5C(O)C(O)C43C)C2C1
Answer: The molecule is a natural product found in Barringtonia acutangula with data available.
Task: molecular description generation
molecule: OCC1OC(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)C(O)C(O)C1O
Answer: The molecule is a mannotriose consisting of alpha-D-mannopyranose, beta-D-mannopyranose and D-mannopyranose residues joined in sequence by (1->3) and (1->4) glycosidic bonds.
Task: molecular description generation
molecule: CC1(C)OCC(COC(=O)CCc2ccc(OCC(O)CNCCNC(=O)N3CCOCC3)cc2)O1.Cl
Answer: The molecule is a member of morpholines.
Task: molecular description generation
molecule: COC(=O)C(=C1OC(=O)C(c2ccccc2)=C1O)c1ccccc1OC
Answer: The molecule is a natural product found in Chrysothrix candelaris with data available.
Task: molecular description generation
molecule: CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(O)CC(=O)O)OC(C)=O
Answer: The molecule is a natural product found in Fusarium with data available.
Task: molecular description generation
molecule: CCC(CCC(C)C1CCC2C3CC=C4CC(OC(C)=O)CCC4(C)C3CCC12C)C(C)C
Answer: The molecule is a natural product found in Neolitsea sericea and Litsea sericea with data available.
Task: molecular description generation
molecule: CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C(O)C2
Answer: The molecule is a natural product found in Cyphanthera tasmanica, Anthocercis ilicifolia, and other organisms with data available.
Task: molecular description generation
molecule: O=C1c2c(O)cccc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21
Answer: The molecule is a C-glycosyl compound that is beta-D-glucopyranose in which the anomeric hydroxy group is replaced by a 4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl moiety (the 9S diastereoisomer). It has a role as a metabolite and a laxative. It is a C-glycosyl compound, a member of anthracenes, a cyclic ketone and a member of phenols.
Task: molecular description generation
molecule: C=C1C(C)CCCC1(C)CCC1(C)C=Cc2c(O)c(OC)cc(O)c2O1
Answer: The molecule is a natural product found in Dactylospongia metachromia with data available.
Task: molecular description generation
molecule: COc1ccc(C=CC(=O)c2ccc(O)c(OC)c2O)cc1
Answer: The molecule is a member of chalcones.
Task: molecular description generation
molecule: CC1=CC(c2c(O)cc(O)c(C(=O)CCc3ccccc3)c2O)C(C(C)C)CC1
Answer: The molecule is a natural product found in Lindera umbellata with data available.
Task: molecular description generation
molecule: CNCC(OC)c1cccc(C(F)(F)F)c1
Answer: The molecule is a member of (trifluoromethyl)benzenes.
Task: molecular description generation
molecule: COC1=CC(c2ccc[nH]2)=NC1=C1c2[nH]c3cc2C(C(C)C)C1CCCCCCCC3
Answer: The molecule is a natural product found in Streptomyces griseoviridis with data available.
Task: molecular description generation
molecule: O=C(O)c1cc(Cl)c(O)c(Cl)c1
Answer: The molecule is a natural product found in Bjerkandera with data available.
Task: molecular description generation
molecule: Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCCN3CCCC3)sc21
Answer: The molecule is a ring assembly and a member of pyrazoles.
Task: molecular description generation
molecule: C=CC(C)(C)OCC1NC(=O)CNC(=O)C2CCCN2C(=O)C(C(C)CC)NC(=O)C2CSC(=N2)C(CC(C)C)NC1=O
Answer: The molecule is a natural product found in Didemnum molle with data available.
Task: molecular description generation
molecule: Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
Answer: The molecule is a diadenosyl triphosphate having the two 5'-adenosyl residues attached at the P(1)- and P(3)-positions. It has a role as a mouse metabolite. It is a conjugate acid of a P(1),P(3)-bis(5'-adenosyl) triphosphate(4-).
Task: molecular description generation
molecule: CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(O)C(CO)OC(OC5C(CO)OC(OC6C(O)C(CO)OC(OC7C(CO)OC(OC8C(O)C(CO)OC(OC9C(CO)OC(OCC%10OC(O)C(NC(C)=O)C(OC%11OC(CO)C(O)C(O)C%11O)C%10O)C(NC(C)=O)C9O)C8O)C(NC(C)=O)C7O)C6O)C(NC(C)=O)C5O)C4O)C(NC(C)=O)C3O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
Answer: The molecule is a member of carbohydrates and carbohydrate derivatives.
Task: molecular description generation
molecule: CCC(C)c1ncc(CCCCNC(C)=O)[nH]c1=O
Answer: The molecule is a natural product found in Streptomyces with data available.
Task: molecular description generation
molecule: CC1Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2C(=O)C1C)OC(C)(C)C=C3
Answer: The molecule is a neoflavonoid.
Task: molecular description generation
molecule: CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C[N+](C)(C)C
Answer: The molecule is a triply charged acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-dehydrocarnityl CoA; major species at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a 3-dehydrocarnityl CoA.
Task: molecular description generation
molecule: COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3
Answer: The molecule is a natural product found in Thalictrum foetidum, Thalictrum fargesii, and other organisms with data available.
Task: molecular description generation
molecule: Cc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NN3CCCCCC3)cc2)no1
Answer: The molecule is a sulfonamide.
Task: molecular description generation
molecule: CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1C
Answer: The molecule is a natural product found in Apis cerana with data available.
Task: molecular description generation
molecule: CCCCCC=CCC=CCC=CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC=CCC=CCC=CCCCCC
Answer: The molecule is a 1,2-diglyceride.
Task: molecular description generation
molecule: CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(=O)CCCCCCCCCCCCCCC
Answer: The molecule is a N-acyl-3-ketodihydrosphingosine. It is functionally related to an octadecanoate.
Task: molecular description generation
molecule: COC12CC(C)C34OC3CC3(C)OC34CC1=C(C)C(=O)O2
Answer: The molecule is a natural product found in Antillogorgia americana with data available.
Task: molecular description generation
molecule: CC(C)=CCc1oc2cc(C)c(O)cc2c1C
Answer: The molecule is a natural product found in Cryptomeria japonica with data available.
Task: molecular description generation
molecule: CC(O)C=CC12OC1(C)CC(OC1OC(CO)C(O)C(O)C1O)CC2(C)C
Answer: The molecule is a natural product found in Chimonanthus praecox with data available.
Task: molecular description generation
molecule: CCC(=O)Nc1ccc2c(c1)OCC(C)N(Cc1ccccc1F)CC(C)C(OC)CN(C)C2=O
Answer: The molecule is an azamacrocycle and a lactam.
Task: molecular description generation
molecule: O=C(NC1CCC(CCNC(=O)C2CCOCC2)OC1CO)c1ccncc1
Answer: The molecule is a C-glycosyl compound.
Task: molecular description generation
molecule: COC(=O)CC1C(C)(C)C(=O)C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O
Answer: The molecule is a natural product found in Swietenia mahagoni with data available.
Task: molecular description generation
molecule: CCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
Answer: The molecule is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoic acid. It is an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It is functionally related to a (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoic acid. It is a conjugate acid of a (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoyl-CoA(4-).