cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.19807910.v1
title: Additional file 1 of Physiological and comparative transcriptome analyses reveal the mechanisms underlying waterlogging tolerance in a rapeseed anthocyanin-more mutant

description: Additional file 1: Figure S1. The phenotypes of seedlings after 8 day of recovery growth following waterlogging for 0, 12, 24 and 36 h. Bars = 1 cm. Figure S2. Sequencing randomness analysis of the waterlogging-treatment and control groups in both the WT and am mutant. Figure S3. Schematic diagram of the expression level saturation distribution curve. Figure S4. Schematic diagram of the correlations between samples. Figure S5. The MA and volcano plots of gene expression in (a) amCK-vs-amWL and (b) Z11CK-vs-Z11WL. “Z11CK-vs-Z11WL” indicates waterlogging-treated WT compared with the untreated WT, and “amCK-vs-amWL” indicates waterlogging-treated am mutant compared with the untreated am mutant. Figure S6. Co-expression clustering showing the expression profile of DEGs in WT (a) and am mutant (b). The X-axis represents with or without waterlogging treatment. The Y-axis represents the value of the relative expression level [log10 (FPKM + 1)].
DOI: 10.6084/m9.figshare.16137915
title: figshare file 6

description: The amounts of 38 environmental pressures in 49 sectors and the top three sectors in the 2017 database.
DOI: 10.6084/m9.figshare.16137915.v1
title: figshare file 6

description: The amounts of 38 environmental pressures in 49 sectors and the top three sectors in the 2017 database.
DOI: 10.6084/m9.figshare.12992197.v1
title: Additional file 3 of An embedded gene selection method using knockoffs optimizing neural network

description: Additional file 3. Dataset.rar (Dataset and results).
DOI: 10.6084/m9.figshare.12992200.v1
title: Additional file 4 of An embedded gene selection method using knockoffs optimizing neural network

description: Additional file 4. Knockoffs-NN.rar (Source code package).
DOI: 10.6084/m9.figshare.12992197
title: Additional file 3 of An embedded gene selection method using knockoffs optimizing neural network

description: Additional file 3. Dataset.rar (Dataset and results).
DOI: 10.6084/m9.figshare.12992200
title: Additional file 4 of An embedded gene selection method using knockoffs optimizing neural network

description: Additional file 4. Knockoffs-NN.rar (Source code package).
DOI: 10.6084/m9.figshare.14670181
title: Additional file 2 of Identification of immune subtypes of cervical squamous cell carcinoma predicting prognosis and immunotherapy responses

description: Additional file 2. Table S1. Baseline clinical features for the cervical SCC patients in the training set and validationset. Table S2. The list of immune-related genes (IRGs). Table S3. The enriched 21 Kyoto Encyclopedia of Genes and Genomes (KEGG) pathwaysbetween sub1 and sub2. Table S4. The enriched 138 Gene Ontology (GO) biological pathways between sub1 and sub2. Table S5. The mutation frequencies of 45 driver genes of cervical SCC between sub1 and sub2. Table S6. 83 mRNAs significantly related to OS used to construct the random forest classifier. Table S7. 23-mRNA signature related to cervical SCC subtypes.
DOI: 10.6084/m9.figshare.14670181.v1
title: Additional file 2 of Identification of immune subtypes of cervical squamous cell carcinoma predicting prognosis and immunotherapy responses

description: Additional file 2. Table S1. Baseline clinical features for the cervical SCC patients in the training set and validationset. Table S2. The list of immune-related genes (IRGs). Table S3. The enriched 21 Kyoto Encyclopedia of Genes and Genomes (KEGG) pathwaysbetween sub1 and sub2. Table S4. The enriched 138 Gene Ontology (GO) biological pathways between sub1 and sub2. Table S5. The mutation frequencies of 45 driver genes of cervical SCC between sub1 and sub2. Table S6. 83 mRNAs significantly related to OS used to construct the random forest classifier. Table S7. 23-mRNA signature related to cervical SCC subtypes.
DOI: 10.34740/kaggle/dsv/7685312
title: 2021 World Population (updated daily)
DOI: 10.6084/m9.figshare.24526666
title: Mendelian randomization integrating GWAS, eQTL, mQTL and pQTL data identified genes associated with LDL-C

description: This dataset contains data revealing associations between the transcriptome, methylome, proteome,and LDL-C.
DOI: 10.14272/pjzjoopxwqdbls-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C21H19ClN2/c22-19-11-12-23-14-21(19)24-20-13-17-6-5-15-1-3-16(4-2-15)7-9-18(20)10-8-17/h1-4,8,10-14,24H,5-7,9H2

description: dataset for mass spectrometry (MS)
 
 ESI-MS, m/z (%): 335/337 (100/32) [M+H]+.HRMS-ESI for [C21H2035ClN2]+: Calc. m/z = 335.1310, found m/z = 335.1301.
DOI: 10.14272/pjzjoopxwqdbls-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C21H19ClN2/c22-19-11-12-23-14-21(19)24-20-13-17-6-5-15-1-3-16(4-2-15)7-9-18(20)10-8-17/h1-4,8,10-14,24H,5-7,9H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 13C NMR (126 MHz, DMSO, ppm) δ = 148.7 (1C, CAr), 148.2 (1C, CAr), 146.6 (1C, CAr), 141.2 (1C, CAr), 138.9 (1C, CAr), 138.6 (1C, CAr), 137.1 (1C, CAr), 135.8 (1C, CAr), 133.3 (1C, CAr), 133.0 (1C, CAr), 132.6 (1C, CAr), 132.2 (1C, CAr), 129.5 (1C, CAr), 128.6 (1C, CAr), 128.1 (1C, CAr), 117.0 (1C, CAr), 108.3 (1C, CAr), 34.7 (1C, CH2), 34.4 (1C, CH2), 33.7 (1C, CH2), 33.4 (1C, CH2).
DOI: 10.14272/pjzjoopxwqdbls-uhfffaoysa-n.1
title: 4-N-(4-chloro-pyridin-3-yl)amino[2.2]paracyclophane
title: InChI=1S/C21H19ClN2/c22-19-11-12-23-14-21(19)24-20-13-17-6-5-15-1-3-16(4-2-15)7-9-18(20)10-8-17/h1-4,8,10-14,24H,5-7,9H2

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C21H19ClN2/c22-19-11-12-23-14-21(19)24-20-13-17-6-5-15-1-3-16(4-2-15)7-9-18(20)10-8-17/h1-4,8,10-14,24H,5-7,9H2, and canonical SMILES descriptor[cheminf_000007]: Clc1ccncc1Nc1cc2CCc3ccc(CCc1cc2)cc3, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-37867

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 118.6 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/pjzjoopxwqdbls-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C21H19ClN2/c22-19-11-12-23-14-21(19)24-20-13-17-6-5-15-1-3-16(4-2-15)7-9-18(20)10-8-17/h1-4,8,10-14,24H,5-7,9H2

description: dataset for infrared absorption spectroscopy (IR)
 
 IR (ATR, ṽ) = 3400 (m), 3394 (m), 3230 (m), 3222 (m), 3217 (m), 3032 (m), 3019 (m), 3009 (m), 2951 (m), 2925 (s), 2891 (m), 2852 (s), 1588 (vs), 1560 (s), 1508 (s), 1492 (vs), 1406 (s), 1335 (s), 1030 (m) cm–1.
DOI: 10.14272/pjzjoopxwqdbls-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C21H19ClN2/c22-19-11-12-23-14-21(19)24-20-13-17-6-5-15-1-3-16(4-2-15)7-9-18(20)10-8-17/h1-4,8,10-14,24H,5-7,9H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 1H NMR (500 MHz, DMSO, ppm) δ = 8.37 (s, 1H, HAr), 8.04 (d, J = 5.6 Hz, 1H, HAr), 7.81 (s, 1H, NH), 6.94 (dd, J = 7.7, 1.9 Hz, 1H, HAr), 6.63–6.44 (m, 6H, HAr), 6.28 (d, J = 1.7 Hz, 1H, HAr), 3.05–2.82 (m, 5H, CH2), 2.78–2.63 (m, 3H, CH2). Impurities: water (3.33 ppm).
DOI: 10.18112/openneuro.ds004873.v2.0.1
title: Two distinct modes of hemodynamic responses in the human brain
DOI: 10.5517/ccdc.csd.cc2dg7bg
title: CCDC 2218215: Experimental Crystal Structure Determination

description: Related Article: Melissa Beltrán-Torres, Hisila Santacruz-Ortega, Karla A. López-Gastelum, Mónica Acosta-Elías, Enrique F. Velázquez-Contreras, Gerardo Aguirre-Hernández, Javier Hernández-Paredes, Refugio Pérez-González, Fernando Rocha-Alonzo, Alfonso García-Galaz, Rocío Sugich-Miranda|2024|Polyhedron|252|116883|doi:10.1016/j.poly.2024.116883
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2dg7dj
title: CCDC 2218217: Experimental Crystal Structure Determination

description: Related Article: Melissa Beltrán-Torres, Hisila Santacruz-Ortega, Karla A. López-Gastelum, Mónica Acosta-Elías, Enrique F. Velázquez-Contreras, Gerardo Aguirre-Hernández, Javier Hernández-Paredes, Refugio Pérez-González, Fernando Rocha-Alonzo, Alfonso García-Galaz, Rocío Sugich-Miranda|2024|Polyhedron|252|116883|doi:10.1016/j.poly.2024.116883
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2dg7hm
title: CCDC 2218220: Experimental Crystal Structure Determination

description: Related Article: Melissa Beltrán-Torres, Hisila Santacruz-Ortega, Karla A. López-Gastelum, Mónica Acosta-Elías, Enrique F. Velázquez-Contreras, Gerardo Aguirre-Hernández, Javier Hernández-Paredes, Refugio Pérez-González, Fernando Rocha-Alonzo, Alfonso García-Galaz, Rocío Sugich-Miranda|2024|Polyhedron|252|116883|doi:10.1016/j.poly.2024.116883
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ftngd
title: CCDC 2258984: Experimental Crystal Structure Determination

description: Related Article: Jorge A. Garduño, Andrew J. Sasser, Hannah J. Sexton, Russell P. Hughes, David S. Glueck, Arnold L. Rheingold|2024|Organometallics|43|381|doi:10.1021/acs.organomet.3c00483
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ghnxk
title: CCDC 2279179: Experimental Crystal Structure Determination

description: Related Article: Wang Lifeng, Zhu Guangshan, Shi Nian, Fu Weiwei|2008|Gaodeng Xuexiao Huaxue Xuebao|29|2502|
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2gt75q
title: CCDC 2288363: Experimental Crystal Structure Determination

description: Related Article: Anwesha Bhattacharya, Subhashini V. Subramaniam, Nagesh Kumar Kandukuri, Saravanan Peruncheralathan|2024|J.Org.Chem.|89|2571|doi:10.1021/acs.joc.3c02595
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2gt76r
title: CCDC 2288364: Experimental Crystal Structure Determination

description: Related Article: Anwesha Bhattacharya, Subhashini V. Subramaniam, Nagesh Kumar Kandukuri, Saravanan Peruncheralathan|2024|J.Org.Chem.|89|2571|doi:10.1021/acs.joc.3c02595
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.14272/kohderbfdypxdb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C22H20N2.ClH/c1-24-13-12-19-20(14-24)23-22-18-9-7-16-4-2-15(3-5-16)6-8-17(10-11-18)21(19)22;/h2-5,10-14H,6-9H2,1H3;1H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 1H NMR (500 MHz, D2O, ppm) δ = 8.74 (s, 1H, HAr), 8.28 (d, J = 6.5 Hz, 1H, HAr), 8.21 (dd, J = 6.6, 1.4 Hz, 1H, HAr), 7.02 (d, J = 7.4 Hz, 1H, HAr), 6.83 (d, J = 7.4 Hz, 1H, HAr), 6.58 (dd, J = 7.8, 2.0 Hz, 1H, HAr), 6.44 (dd, J = 7.8, 1.9 Hz, 1H, HAr), 5.81 (dd, J = 7.8, 1.9 Hz, 1H, HAr), 5.05 (dd, J = 7.8, 1.9 Hz, 1H, HAr), 4.38 (s, 3H, CH3), 3.86–3.76 (m, 1H, CH2), 3.46–3.37 (m, 1H, CH2), 3.23–3.04 (m, 4H, CH2), 3.01–2.91 (m, 1H, CH2), 2.84–2.73 (m, 1H, CH2). Missing signals: (1H) from NH is missing due to the solvent effect.
DOI: 10.14272/kohderbfdypxdb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C22H20N2.ClH/c1-24-13-12-19-20(14-24)23-22-18-9-7-16-4-2-15(3-5-16)6-8-17(10-11-18)21(19)22;/h2-5,10-14H,6-9H2,1H3;1H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 13C NMR (126 MHz, D2O, ppm) δ = 145.0 (1C, CAr), 138.6 (1C, CAr), 138.5 (1C, CAr), 138.0 (1C, CAr), 137.0 (1C, CAr), 133.9 (1C, CAr), 133.0 (1C, CAr), 132.9 (1C, CAr), 132.5 (1C, CAr), 132.4 (1C, CAr), 128.9 (1C, CAr), 128.3 (1C, CAr), 126.2 (1C, CAr), 124.7 (1C, CAr), 124.7 (1C, CAr), 121.6 (1C, CAr), 118.4 (1C, CAr), 47.3 (1C, CH3), 32.8 (1C, CH2), 32.4 (1C, CH2), 32.4 (1C, CH2), 30.2 (1C, CH2).
DOI: 10.14272/kohderbfdypxdb-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C22H20N2.ClH/c1-24-13-12-19-20(14-24)23-22-18-9-7-16-4-2-15(3-5-16)6-8-17(10-11-18)21(19)22;/h2-5,10-14H,6-9H2,1H3;1H

description: dataset for infrared absorption spectroscopy (IR)
 
 IR (ATR, ṽ) = 3330 (vs), 3233 (vs), 3135 (vs), 3067 (vs), 3016 (vs), 2928 (vs), 2859 (vs), 2797 (s), 2758 (s), 2697 (m), 2679 (m), 1650 (m), 1645 (m), 1595 (s), 1528 (m), 1481 (m), 1325 (m), 1315 (m) cm–1.
DOI: 10.5517/ccdc.csd.cc2h0x8q
title: CCDC 2294783: Experimental Crystal Structure Determination

description: Related Article: Mariia V. Evsiunina, Enni K. Khult, Petr I. Matveev, Paulina Kalle, Pavel S. Lemport, Valentine S. Petrov, Svetlana A. Aksenova, Yulia V. Nelyubina, Daniil S. Koshelev, Valentina V. Utochnikova, Vladimir G. Petrov, Yury A. Ustynyuk, Valentine G. Nenajdenko|2024|Sep.Purif.Technol.|339|126621|doi:10.1016/j.seppur.2024.126621
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.14272/kohderbfdypxdb-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C22H20N2.ClH/c1-24-13-12-19-20(14-24)23-22-18-9-7-16-4-2-15(3-5-16)6-8-17(10-11-18)21(19)22;/h2-5,10-14H,6-9H2,1H3;1H

description: dataset for mass spectrometry (MS)
 
 ESI-MS, m/z (%): 313 (100) [M-Cl]+.HRMS-ESI for [C22H21N2]+: Calc. m/z = 313.1700, found m/z = 313.1696.
DOI: 10.5517/ccdc.csd.cc2h2npy
title: CCDC 2296470: Experimental Crystal Structure Determination

description: Related Article: Mariia V. Evsiunina, Enni K. Khult, Petr I. Matveev, Paulina Kalle, Pavel S. Lemport, Valentine S. Petrov, Svetlana A. Aksenova, Yulia V. Nelyubina, Daniil S. Koshelev, Valentina V. Utochnikova, Vladimir G. Petrov, Yury A. Ustynyuk, Valentine G. Nenajdenko|2024|Sep.Purif.Technol.|339|126621|doi:10.1016/j.seppur.2024.126621
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2h2nqz
title: CCDC 2296471: Experimental Crystal Structure Determination

description: Related Article: Mariia V. Evsiunina, Enni K. Khult, Petr I. Matveev, Paulina Kalle, Pavel S. Lemport, Valentine S. Petrov, Svetlana A. Aksenova, Yulia V. Nelyubina, Daniil S. Koshelev, Valentina V. Utochnikova, Vladimir G. Petrov, Yury A. Ustynyuk, Valentine G. Nenajdenko|2024|Sep.Purif.Technol.|339|126621|doi:10.1016/j.seppur.2024.126621
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.14272/kohderbfdypxdb-uhfffaoysa-n.1
title: N-methyl-4-[2]paracyclo[2](6,9)-beta-carbolinophane
title: InChI=1S/C22H20N2.ClH/c1-24-13-12-19-20(14-24)23-22-18-9-7-16-4-2-15(3-5-16)6-8-17(10-11-18)21(19)22;/h2-5,10-14H,6-9H2,1H3;1H

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C22H20N2.ClH/c1-24-13-12-19-20(14-24)23-22-18-9-7-16-4-2-15(3-5-16)6-8-17(10-11-18)21(19)22;/h2-5,10-14H,6-9H2,1H3;1H, and canonical SMILES descriptor[cheminf_000007]: C[n+]1ccc2c(c1)[nH]c1c2c2CCc3ccc(CCc1cc2)cc3.[Cl-], and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-37707

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 260.5 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.5517/ccdc.csd.cc2h2nr0
title: CCDC 2296472: Experimental Crystal Structure Determination

description: Related Article: Mariia V. Evsiunina, Enni K. Khult, Petr I. Matveev, Paulina Kalle, Pavel S. Lemport, Valentine S. Petrov, Svetlana A. Aksenova, Yulia V. Nelyubina, Daniil S. Koshelev, Valentina V. Utochnikova, Vladimir G. Petrov, Yury A. Ustynyuk, Valentine G. Nenajdenko|2024|Sep.Purif.Technol.|339|126621|doi:10.1016/j.seppur.2024.126621
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2h2ns1
title: CCDC 2296473: Experimental Crystal Structure Determination

description: Related Article: Mariia V. Evsiunina, Enni K. Khult, Petr I. Matveev, Paulina Kalle, Pavel S. Lemport, Valentine S. Petrov, Svetlana A. Aksenova, Yulia V. Nelyubina, Daniil S. Koshelev, Valentina V. Utochnikova, Vladimir G. Petrov, Yury A. Ustynyuk, Valentine G. Nenajdenko|2024|Sep.Purif.Technol.|339|126621|doi:10.1016/j.seppur.2024.126621
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2h2nt2
title: CCDC 2296474: Experimental Crystal Structure Determination

description: Related Article: Mariia V. Evsiunina, Enni K. Khult, Petr I. Matveev, Paulina Kalle, Pavel S. Lemport, Valentine S. Petrov, Svetlana A. Aksenova, Yulia V. Nelyubina, Daniil S. Koshelev, Valentina V. Utochnikova, Vladimir G. Petrov, Yury A. Ustynyuk, Valentine G. Nenajdenko|2024|Sep.Purif.Technol.|339|126621|doi:10.1016/j.seppur.2024.126621
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2h2nv3
title: CCDC 2296475: Experimental Crystal Structure Determination

description: Related Article: Mariia V. Evsiunina, Enni K. Khult, Petr I. Matveev, Paulina Kalle, Pavel S. Lemport, Valentine S. Petrov, Svetlana A. Aksenova, Yulia V. Nelyubina, Daniil S. Koshelev, Valentina V. Utochnikova, Vladimir G. Petrov, Yury A. Ustynyuk, Valentine G. Nenajdenko|2024|Sep.Purif.Technol.|339|126621|doi:10.1016/j.seppur.2024.126621
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.