blc-org/A-secret-data-repo huggingface dataset:
Task: molecular description generation
molecule: CCCCCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCCCCC(=O)O
Answer: The molecule is a very long-chain omega-6 fatty acid that is tetratriacontapentaenoic acid having five double bonds located at positions 16, 19, 22, 25 and 28 (the 16Z,19Z,22Z,25Z,28Z-isomer). It is a tetratriacontapentaenoic acid and an omega-6 fatty acid. It is a conjugate acid of a (16Z,19Z,22Z,25Z,28Z)-tetratriacontapentaenoate.
Task: molecular description generation
molecule: COc1cc(C2Oc3c(OC)cc(C=CCO)cc3C2COC2OC(CO)C(OC)C(O)C2O)ccc1O
Answer: The molecule is a natural product found in Pedicularis torta with data available.
Task: molecular description generation
molecule: OCC1OC(OC2C(O)C(CO)OC(OCC3OC(OCC4OC(OCC5OC(OCC6OC(O)C(O)C(O)C6O)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)C2O)C(O)C(O)C1O
Answer: The molecule is an oligosaccharide.
Task: molecular description generation
molecule: CN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5
Answer: The molecule is a semisynthetic narcotic analgesic related to hydromorphone and other opiates, Oxymorphone, hydroxy-dihydromorphinone, affects the central nervous system and smooth muscles by activation of specific opiate receptors. Similar to morphine, but more potent and without cough suppressant activity, it is used in treatment of moderate to severe pain, including obstetrical pain, or as an adjunct to anaesthesia. (NCI04)
Task: molecular description generation
molecule: COC(=O)C1=COC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C2C1C=CC2(O)CO
Answer: The molecule is a natural product found in Genipa americana with data available.
Task: molecular description generation
molecule: CCCCCCC(O)C=CC(=O)OC1C(C)OC(=O)C(C)C(O)C(C)(O)C(O)C1C
Answer: The molecule is a natural product found in Botrytis cinerea with data available.
Task: molecular description generation
molecule: COc1cc(OC)c(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1OC
Answer: The molecule is a natural product found in Ageratum corymbosum and Ageratum houstonianum with data available.
Task: molecular description generation
molecule: CC1(C)C=Cc2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O1
Answer: The molecule is a member of benzofurans.
Task: molecular description generation
molecule: CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)CO)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Answer: The molecule is a natural product found in Lepisanthes rubiginosa with data available.
Task: molecular description generation
molecule: O=C(O)c1cccnc1SCCc1ccccc1
Answer: The molecule is a member of pyridines and an aromatic carboxylic acid.
Task: molecular description generation
molecule: COC(=O)CC(NC(=O)C(NC(=O)CN=C(N)C1C(C)C(C)CN1C(=O)C(NC(=O)C(NC(=O)C=CC(C)C)C(C)(C)C)C(C)C)C(C)c1ccccc1)c1nccs1
Answer: The molecule is a natural product found in Streptomyces bottropensis with data available.
Task: molecular description generation
molecule: O=C([O-])CC1(CO)CCCCC1
Answer: The molecule is a hydroxy monocarboxylic acid anion that is the conjugate base of hexacyclonic acid, arising from the deprotonation of the carboxy group; Major species at pH 7.3. It is a conjugate base of a hexacyclonic acid.
Task: molecular description generation
molecule: COc1ccc2c(c1OC)C(=O)c1ccc(C=C(C)CC(N)=O)c(O)c1C2=O
Answer: The molecule is a natural product found in Streptomyces with data available.
Task: molecular description generation
molecule: CC=CC1=C(Cl)C(O)C(O)C1O
Answer: The molecule is a natural product found in Phoma with data available.
Task: molecular description generation
molecule: CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1
Answer: The molecule is a natural product found in Vitex negundo with data available.
Task: molecular description generation
molecule: CC=Cc1ccc2n(c1=O)CC1C(CO)C(C(=O)NCc3cc(F)cc(F)c3)C2N1S(C)(=O)=O
Answer: The molecule is a pyrrolidinecarboxamide.
Task: molecular description generation
molecule: CC(=O)OCC12Oc3ccc(-c4ccc5c(c4O)C(O)=C4C(=O)CC(C)C(OC(C)=O)C4(CO)O5)c(O)c3C(O)=C1C(=O)CC(C)C2OC(C)=O
Answer: The molecule is a natural product found in Penicillium with data available.
Task: molecular description generation
molecule: CCCCCCCC=CC=O
Answer: The molecule is a natural product found in Vaccinium macrocarpon, Akebia trifoliata, and other organisms with data available.
Task: molecular description generation
molecule: CCC(C(=O)NC(O)C(O)C(C)C(=O)C(C)C(O)CC(=O)C(C)=CCC1OC(=O)C(OC)=CC(C)=CC(C)C(O)C(C)CC=CC=CC1OC)C(=O)c1ccccc1
Answer: The molecule is a natural product found in Sorangium cellulosum with data available.
Task: molecular description generation
molecule: O=C1c2c(O)cccc2C(O)C(O)C1O
Answer: The molecule is a natural product found in Menisporopsis theobromae with data available.
Task: molecular description generation
molecule: CCC1CCC(=C2C(=O)OC(C)C2=O)O1
Answer: The molecule is a natural product found in Tribulus terrestris and Penicillium with data available.
Task: molecular description generation
molecule: O=C(OC1OC(CO)C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C1O)c1cc(O)c(O)c(O)c1
Answer: The molecule is a natural product found in Balanophora japonica, Balanophora laxiflora, and other organisms with data available.
Task: molecular description generation
molecule: CN(C)S(=O)(=O)c1ccc2c(c1)C(=CCCN1CCNCC1)c1ccccc1S2
Answer: The molecule is a member of thioxanthenes.
Task: molecular description generation
molecule: COc1cc(C=CC(=O)OC2C(OC3C(Oc4cc5c(OC6OC(CO)C(O)C(O)C6O)cc(O)cc5[o+]c4-c4ccc(O)c(O)c4)OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C3O)OC(CO)C(O)C2O)cc(OC)c1O
Answer: The molecule is a natural product found in Brassica oleracea with data available.
Task: molecular description generation
molecule: COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC
Answer: The molecule is a Nondepolarizing Neuromuscular Blocker. The physiologic effect of cisatracurium is by means of Neuromuscular Nondepolarizing Blockade.
Task: molecular description generation
molecule: CC1=CC(CO)C(O)C(C)C(O)C(C)C(O)C(C)C(O)C(C)C=CC=CC(=O)NC2=C(C)C(=O)c3c(c(O)c(C)c(O)c3C2=O)C1=O
Answer: The molecule is a natural product found in Streptomyces with data available.
Task: molecular description generation
molecule: COc1ccc(-c2coc3cc(OC4OC(CO)C(O)C(O)C4O)cc([O-])c3c2=O)cc1
Answer: The molecule is a flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of biochanin A 7-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a biochanin A 7-O-beta-D-glucoside.
Task: molecular description generation
molecule: CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(OC6OC(COC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C(O)C(O)C6NC(C)=O)C(O)C5NC(C)=O)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C5O)C(O)C4NC(C)=O)C(O)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C6O)C(O)C5NC(C)=O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C5O)C(O)C4NC(C)=O)C3O)C(O)C2NC(C)=O)C1O
Answer: The molecule is a polysaccharide.
Task: molecular description generation
molecule: CC(=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CC12C)CO
Answer: The molecule is a natural product found in Panax ginseng with data available.
Task: molecular description generation
molecule: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(OC6OC(CO)C(O)C(OC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C6O)C(O)C5NC(C)=O)C(O)C(O)C4OC4OC(CO)C(OC5OC(COC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C(O)C(O)C5O)C(O)C4NC(C)=O)C(O)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(COC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C(O)C(O)C6O)C(O)C5NC(C)=O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C5O)C(O)C4NC(C)=O)C3O)C(O)C2NC(C)=O)C1O
Answer: The molecule is a polysaccharide.
Task: molecular description generation
molecule: C=C1C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(=O)O)C(C)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(C=CC(C)=CC(C)C(Cc2ccccc2)OC)C(C)C(=O)NC(C(=O)O)CCC(=O)N1C
Answer: The molecule is a hydrophobic microcystin. Microcystins (also known as cyanoginosins) are a class of toxins produced by certain freshwater cyanobacteria. Microcystins are chemically stable over a wide range of temperature and pH, possibly as a result of their cyclic structure. The toxins are also resistant to enzymatic hydrolysis (in guts of animals) by some general proteases, such as pepsin, trypsin, collagenase, and chymotrypsin.
Task: molecular description generation
molecule: CC(C)(O)C1CCC2(C)C1C(OC1OCC(O)C(O)C1O)CC1(C)C2CCC2C3(C)CCC(OC4OCC(O)C(O)C4O)C(C)(C)C3C(OC3OCC(O)C(O)C3O)CC21C
Answer: The molecule is a natural product found in Polycarpon succulentum with data available.
Task: molecular description generation
molecule: CNCC1Oc2c(NC(=O)c3cnccn3)cccc2C(=O)N(C(C)CO)CC1C
Answer: The molecule is a member of pyrazines, a secondary carboxamide and a tertiary carboxamide.
Task: molecular description generation
molecule: CCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCC(C)C
Answer: The molecule is a N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 23 carbons and 0 double bonds and is 2-hydroxylated. It is functionally related to a 15-methylhexadecaphytosphingosine.
Task: molecular description generation
molecule: NCC(C(=O)N(C(=O)CC(N)O)C(CN)C(=O)NC(CCCC(N)C(O)CC(=O)NC(=O)CNCCCNCCCCN=C(N)N)C(=O)O)c1ccccc1
Answer: The molecule is a natural product found in Brevibacillus brevis with data available.
Task: molecular description generation
molecule: CC(=O)NC1C(OC2C(O)C(CO)OC(OCC3OC(O)C(NC(C)=O)C(OC4OC(CO)C(O)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(OC6OC(C)C(O)C(O)C6O)C5NC(C)=O)C4O)C3O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
Answer: The molecule is an amino sugar.
Task: molecular description generation
molecule: CCN1CC2(COC)C(O)CC(OC)C34C1C(C(OC)C23)C1(OC(C)=O)C(O)C(OC)C2(O)CC4(O)C1C2OC(=O)c1ccccc1
Answer: The molecule is a natural product found in Aconitum kusnezoffii and Aconitum karakolicum with data available.
Task: molecular description generation
molecule: CC(=O)OC1C2=CC3=C(CO)C(=O)CCC3(C)CCC2(C)C(C(C)C)C1O
Answer: The molecule is a natural product found in Coprinellus radians with data available.
Task: molecular description generation
molecule: c1ccc2c(c1)-c1nccc3ccnc-2c13
Answer: The molecule is a naphthyridine derivative. It has a role as a metabolite.
Task: molecular description generation
molecule: CCOC(=O)c1nnc2cc(-c3ccccc3)nn2c1C
Answer: The molecule is a member of pyrazoles and a ring assembly.
Task: molecular description generation
molecule: COc1ccc(-c2oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(OC3OC(COC(C)=O)C(O)C(O)C3O)C2O)cc1
Answer: The molecule is a natural product found in Vancouveria hexandra with data available.
Task: molecular description generation
molecule: C=CC(C)(C)OCC=CC#CC#CC(O)CO
Answer: The molecule is a natural product found in Fayodia bisphaerigera with data available.
Task: molecular description generation
molecule: CC=C(C)C(=O)OC1CC=C(C)CCC(C(C)C)C(O)C2OC12C
Answer: The molecule is a natural product found in Curio talinoides with data available.
Task: molecular description generation
molecule: COC(=O)C1(C)CCCC2(C)C3=CC4OCC5(O)CC3(CCC12)CC45
Answer: The molecule is a natural product found in Ceriops decandra with data available.
Task: molecular description generation
molecule: Cc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccco2)cc1
Answer: The molecule is a sulfonamide.
Task: molecular description generation
molecule: O=C(Nc1cc(F)ccc1-c1nc2ccccc2[nH]c1=O)c1cccs1
Answer: The molecule is an aromatic amide.
Task: molecular description generation
molecule: CC=CC1OC(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(CC)C(O)C(C)CC(C)=CC=CC2OC)CC(OC(=O)C=CC(=O)O)C1C
Answer: The molecule is a natural product found in Streptomyces purpurascens and Streptomyces violaceus with data available.
Task: molecular description generation
molecule: [Th]
Answer: The molecule is the chemical element of symbol Th and atomic number 90. It is a naturally occurring radioactive metal of the actinide series. In the environment, thorium exists in combination with other minerals, such as silica. Small amounts of thorium are present in all rocks, soil, water, plants, and animals. Twenty-seven radioactive isotopes of thorium, with mass number from 210 to 236, have been characterized. Naturally occurring thorium is composed mainly of one isotope: 232Th. The most abundant and/or stable isotopes are: 232Th (half-life of 14.05 billion years), 230Th (half-life of 75,380 years), 229Th (half-life of 7340 years), and 228Th (half-life of 1.92 years). Thorium is used to make ceramics, gas lantern mantles, and metals used in the aerospace industry and in nuclear reactions. Thorium can also be used as a fuel for generating nuclear energy. Thorium has been linked to increased risk of liver cancer. (L1094, L1838)
Task: molecular description generation
molecule: COc1cc(C2Oc3c(O)cc(CCCO)cc3C2CO)ccc1OC1OC(CO)C(O)C(O)C1O
Answer: The molecule is a natural product found in Picea abies and Pinus sylvestris with data available.
Task: molecular description generation
molecule: Nc1ccc(O)c2ncccc12
Answer: The molecule is a natural product found in Nicotiana tabacum with data available.
Task: molecular description generation
molecule: COCNC(=O)c1cc(Br)c[nH]1
Answer: The molecule is a natural product found in Axinella verrucosa with data available.
Task: molecular description generation
molecule: C=C1CCCC(C)(C)C1C=CC(C)=O
Answer: The molecule is an ionone.
Task: molecular description generation
molecule: COC1CCC2CCN(C)C(=O)CC(c3ccccc3)CN(C)C(=O)c3cc(C#N)ccc3OCC1O2
Answer: The molecule is an azamacrocycle and a lactam.
Task: molecular description generation
molecule: COC12CC3C(CCC4(O)C(C)(C)CCCC34C)C(C)C1=CC(=O)O2
Answer: The molecule is a natural product found in Caesalpinia pulcherrima with data available.
Task: molecular description generation
molecule: Cc1occc(=O)c1OC1OC(CO)C(O)C(O)C1OC(C)(C)C(O)COc1c2ccoc2cc2oc(=O)ccc12
Answer: The molecule is a natural product found in Prangos pabularia with data available.
Task: molecular description generation
molecule: CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3C(O)C=C4C(CC(=O)C(O)C4(C)C)C3(C)C(=O)CC12C
Answer: The molecule is a natural product found in Trichosanthes cucumeroides with data available.
Task: molecular description generation
molecule: CC=CC1=C(C=CC)C(=O)C2(C1)CC(O)C(=O)O2
Answer: The molecule is a natural product found in Chaetomium with data available.
Task: molecular description generation
molecule: COC1C=CC23c4cc5c(cc4COC2(O)CN(C)C3C1)OCO5
Answer: The molecule is a natural product found in Lycoris sanguinea with data available.
Task: molecular description generation
molecule: Nc1ccn(C2CC(CO)C(OP(=O)(O)OCC3CC(n4cnc5c(N)ncnc54)CC3O)C2)c(=O)n1
Answer: The molecule is a nucleoside analogue and a member of purines.
Task: molecular description generation
molecule: CC=C(C)C(=O)OCC=Cc1ccc(OC)c(OC)c1
Answer: The molecule is a natural product found in Morina chinensis and Ligularia veitchiana with data available.
Task: molecular description generation
molecule: COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C
Answer: The molecule is a natural product found in Bos taurus with data available.
Task: molecular description generation
molecule: O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cl
Answer: The molecule appears as a colorless to dark-colored liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Task: molecular description generation
molecule: COC1c2ccc3occc3c2OC1(Cc1ccccc1)OC
Answer: The molecule is a natural product found in Lonchocarpus castilloi with data available.
Task: molecular description generation
molecule: O=C(NC1CCC1c1ccc(Cl)cc1Cl)c1cccnc1C(F)(F)F
Answer: The molecule is a N-[2-(2,4-dichlorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide that has 1R,2R-configuration. It is an enantiomer of a (S,S)-cyclobutrifluram.
Task: molecular description generation
molecule: C=CC(C)(C)C12CC(O)C(=O)N3C(=Cc4cnc[nH]4)C(=O)NC31N(OC)c1ccccc12
Answer: The molecule is a natural product found in Penicillium chrysogenum and Penicillium roqueforti with data available.
Task: molecular description generation
molecule: C=CC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)(OO)C(C)C
Answer: The molecule is a natural product found in Turbinaria conoides, Xestospongia testudinaria, and other organisms with data available.
Task: molecular description generation
molecule: Cc1cnccn1
Answer: The molecule is a member of the class of pyrazines that is pyrazine in which one of the hydrogens is replaced by a methyl group. It is a flavouring agent found in coffee, peanuts and red peppers. It has a role as a flavouring agent, a plant metabolite and a Maillard reaction product.
Task: molecular description generation
molecule: COc1ccccc1-c1cnc2c(c1)C(=O)N(C(C)CO)CC(C)C(CN(C)Cc1ccc(F)cc1)O2
Answer: The molecule is a phenylpyridine.
Task: molecular description generation
molecule: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2NC(C)=O)C1O
Answer: The molecule is a branched amino heptasaccharide consisting of a sequence of beta-D-galactose, N-acetyl-beta-D-glucosamine, alpha-D-mannose, beta-D-mannose and two N-acetyl-beta-D-glucosamine residues linked (1->4), (1->2), (1->6), (1->4) and (1->4), with an alpha-D-mannose linked (1->3) to the beta-D-mannose residue. It has a role as an epitope. It is an amino heptasaccharide and a glucosamine oligosaccharide.
Task: molecular description generation
molecule: COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Answer: The molecule is a trisaccharide derivative and a gentiobiosylthevetoside. It is functionally related to a digitoxigenin.
Task: molecular description generation
molecule: COc1cc2oc3ccc(O)cc3c(=O)c2c(O)c1CC=C(C)C
Answer: The molecule is a natural product found in Garcinia nigrolineata, Garcinia dulcis, and Garcinia mangostana with data available.
Task: molecular description generation
molecule: OCC1=CC(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12
Answer: The molecule is a natural product found in Verbascum sinuatum with data available.
Task: molecular description generation
molecule: Cc1cc2oc3c(c2cc1Cc1c(-c2ccc(O)cc2O)oc2cc(O)ccc12)COc1cc(O)ccc1-3
Answer: The molecule is a natural product found in Lespedeza homoloba with data available.
Task: molecular description generation
molecule: CC(=O)OC1CC2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=COC(OC(=O)CC(C)C)C2C1(O)COC(=O)C(OC(=O)CC(C)C)C(C)C
Answer: The molecule is a natural product found in Valeriana jatamansi with data available.
Task: molecular description generation
molecule: O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O
Answer: The molecule is a myo-inositol pentakisphosphate comprising 1D-myo-inositol having the five phosphate groups placed in the 1-' 2-' 4-, 5- and 6-positions. It is functionally related to a myo-inositol. It is a conjugate acid of a 1D-myo-inositol 1,2,4,5,6-pentakisphosphate(10-).
Task: molecular description generation
molecule: CC1OC(OCC(O)C(O)C(O)C(O)C(O)Oc2c(-c3ccc(O)cc3)oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c2=O)C(O)C(O)C1O
Answer: The molecule is a natural product found in Actinidia kolomikta with data available.
Task: molecular description generation
molecule: CCCC(=O)Nc1ccc2c(c1)OCC(C)NCC(C)C(OC)CN(C)C2=O
Answer: The molecule is a lactam and an azamacrocycle.
Task: molecular description generation
molecule: COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)c(Cl)c(O)c1C(=O)OC
Answer: The molecule is a natural product found in Aspergillus with data available.
Task: molecular description generation
molecule: CCCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCC
Answer: The molecule is a natural product found in Pisum sativum with data available.
Task: molecular description generation
molecule: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OCCCCCc2ccccc2)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC
Answer: The molecule is a glycophytoceramide having a 4-O-(5-phenylpentyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. It is functionally related to an alpha-D-galactose.
Task: molecular description generation
molecule: [H+].[OH-]
Answer: The molecule is a natural product found in Acacia kempeana, Phytelephas aequatorialis, and other organisms with data available.
Task: molecular description generation
molecule: O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12
Answer: The molecule is a naphthoate ester obtained by formal condensation of the carboxy group of 1-naphthoic acid with the phenolic hydroxy group of 4-nitrophenol. It is functionally related to a 4-nitrophenol.
Task: molecular description generation
molecule: CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)cc1
Answer: The molecule is a natural product found in Artemisia igniaria and Dendrobium falconeri with data available.
Task: molecular description generation
molecule: C=C1CCCC2(C)CCC(C(C)C)CC12
Answer: The molecule is a natural product found in Abies firma with data available.
Task: molecular description generation
molecule: CCCC(=O)OC1CC(C)=CC2OC(=O)C3(C)OC23C(OC(C)=O)C2C(C)C(O)CC(OC(C)=O)C2(C)C1OC(C)=O
Answer: The molecule is a natural product found in Briareum stechei with data available.
Task: molecular description generation
molecule: Cc1ccc(C)n1CCc1ccccc1
Answer: The molecule is a natural product found in Chryseobacterium polytrichastri with data available.
Task: molecular description generation
molecule: CCOc1nc(-c2ccccc2O)nc2ccccc12
Answer: The molecule is a member of quinazolines.
Task: molecular description generation
molecule: O=C(CO)NC1C(O)CC(OC2C(O)C(O)OC(CO)C2O)(C(=O)O)OC1C(O)C(O)CO
Answer: The molecule is a member of carbohydrates and carbohydrate derivatives.
Task: molecular description generation
molecule: CC(N)C(=O)NC(C(=O)NC(C)C(=O)N1CCCC1C(=O)O)C(C)O
Answer: The molecule is a natural product found in Trypanosoma brucei with data available.
Task: molecular description generation
molecule: C=C(C)C1CCC2(C)CCC3(C)CC4C(C)CC5(O)OC(=O)C(=CCC3C12)C45
Answer: The molecule is a natural product found in Aspergillus aurantiobrunneus and Aspergillus purpureus with data available.
Task: molecular description generation
molecule: CC1NC(=O)C2C(O)C(O)CN2C(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CC(C)(O)CO)NC(=O)C(Cc2c(S(C)=O)[nH]c3ccccc23)NC1=O
Answer: The molecule is a natural product found in Amanita virosa with data available.
Task: molecular description generation
molecule: C=CC(C)=CCC1(C)C(C)C(OCCCC)CC23C(=CC(O)CC12)C(OC(C)=O)OC3OCCCC
Answer: The molecule is a natural product found in Casearia sylvestris with data available.
Task: molecular description generation
molecule: COc1c2c(c3c(c1OC)C1(OC)C4=C(C(=O)C(OC)C1(OC)O3)C(OC)CC(c1ccccc1)O4)C(OC)CC(c1ccccc1)O2
Answer: The molecule is a natural product found in Getonia floribunda with data available.
Task: molecular description generation
molecule: C[N+](C)([O-])CCCN1c2ccccc2CCc2ccc(Cl)cc21
Answer: The molecule is a dibenzooxazepine.
Task: molecular description generation
molecule: FC(Cl)Cl
Answer: The molecule is a colorless, odorless gas. It is shipped as a liquid under its own vapor pressure. Contact with the liquid may cause frostbite to unprotected skin. It can asphyxiate by displacement of air. Exposure of the container to prolonged heat or fire may cause it to rupture violently and rocket.
Task: molecular description generation
molecule: CC1=CCC2C(C)(C)C(O)CCC2(C)C12CCC(C)(CC(=O)O)O2
Answer: The molecule is a natural product found in Grindelia hirsutula and Grindelia stricta with data available.
Task: molecular description generation
molecule: CN1CCN(C(=O)C2C(CO)C3Cn4c(ccc(C=Cc5ccccc5)c4=O)C3N2CC2CC2)CC1
Answer: The molecule is an amino acid amide.
Task: molecular description generation
molecule: CC(O)C(O)C(O)C(O)CO
Answer: The molecule is a natural product found in Nocardia asteroides with data available.
Task: molecular description generation
molecule: Cc1ccc(S(=O)(=O)NC2C=CC(CC(=O)NCCN3CCCCC3)OC2CO)cc1
Answer: The molecule is a sulfonamide.