cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.57745/bs37bn
title: mb_V3-V4.silva.search

description: :unav
DOI: 10.57745/mrmoer
title: wgs_LR_fused_reads.silva.search

description: :unav
DOI: 10.57745/tlswue
title: wgs_SR_contigs.silva.search

description: :unav
DOI: 10.57745/pobzn5
title: assembly_wgs_pacbio_sequel_revio_fused.fa.stats

description: :unav
DOI: 10.57745/uhu2ey
title: assembly_wgs_pacbio_sequel.fa.len

description: :unav
DOI: 10.13140/rg.2.2.19565.51680
title: Rancang Bangun Perangkat Lunak Pengirim SMS Dengan Perintah Suara Berbahasa Indonesia Pada Platform Android
DOI: 10.57745/qmy85o
title: assembly_wgs_pacbio_sequel_revio_fused.fa.len

description: :unav
DOI: 10.57745/4auh91
title: assembly_wgs_pacbio_sequel_revio_fused.fa

description: :unav
DOI: 10.57745/4ebddf
title: assembly_wgs_pacbio_revio.fa.len

description: :unav
DOI: 10.13140/rg.2.2.23287.96162
title: Tipos de MPS
DOI: 10.57745/uu8mbg
title: wgs_LR_fused_assembly.silva.search

description: :unav
DOI: 10.57745/ub0r4p
title: assembly_wgs_pacbio_sequel.fa

description: :unav
DOI: 10.57745/56j9si
title: mb_illumina_V3-V4_abundance.tsv

description: metabarcoding abundance
DOI: 10.57745/5ihcfr
title: contigs_bins_clusters_and_taxo_full_datasets.csv

description: Summary of contigs assignment and GTDB taxa for LR and SR coverage, with SILVA taxonomic information when available
DOI: 10.57745/ulwjpr
title: mb_mg_PresenceAbscence.tab

description: PresenceA bscence matrix of taxa across ranks detected by in-silicon metabarcoding
DOI: 10.57745/eryxru
title: illumina_contigs.fasta.len

description: :unav
DOI: 10.57745/yse4r8
title: sequel_revio_contigs.fasta.len

description: :unav
DOI: 10.57745/tpxbsa
title: revio_contigs.fasta.len

description: :unav
DOI: 10.13140/rg.2.2.35110.65609
title: Publons CV Prepared by Publons on May 7th 2021
DOI: 10.57745/jcndji
title: sequel_contigs.fasta.len

description: :unav
DOI: 10.57745/1ang5c
title: contigs_len_distrib.ipynb

description: :unav
DOI: 10.57745/mpchmz
title: arbre_phylogenetique.newick

description: :unav
DOI: 10.13140/rg.2.2.26145.33129
title: THE 7 INDIAN INFANTRY BRIGADE 13 DECEMBER 1941 BATTLE AT ALAM HAMZA-SIDI BREGHISC –INITIAL SITUATION BEFORE 4/11 SIKH ATTACK
DOI: 10.57745/1bayb8
title: taxa_plots.ipynb

description: :unav
DOI: 10.57745/8duivz
title: itol_annotation_heatmap.txt

description: :unav
DOI: 10.15468/rswg54
title: A new Korean species of Pararhabdepyris Gorbatovsky (Hymenoptera, Bethylidae) with an updated world key

description: This dataset contains the digitized treatments in Plazi based on the original journal article Lim, Jongok, Kim, Il-Kwon (2024): A new Korean species of Pararhabdepyris Gorbatovsky (Hymenoptera, Bethylidae) with an updated world key. Zootaxa 5538 (6): 589-594, DOI: 10.11646/zootaxa.5538.6.5, URL: http://dx.doi.org/10.11646/zootaxa.5538.6.5AbstractPararhabdepyris Gorbatovsky is a small genus within Bethylidae, currently comprising only six valid species worldwide. A new species, Pararhabdepyris directus Lim sp. nov., is described and illustrated from South Korea. It appears closely related to P. paradoxus, is characterized by the combination of the following characters: the basal two-thirds of the scape are dark castaneous, coxa and femora are dark castaneous, the median and submedian areas of metapectal-propodeal disc are rugulose, and the transverse posterior carina of metapectal-propodeal complex is straight. An updated key to the world species of the genus are presented.
DOI: 10.15468/dl.28v4dn
title: Occurrence Download

description: A dataset containing 227 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Crocus clusii J.Gay"
 ]
}

 The dataset includes 227 records from 43 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012481-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cfkvzu
title: Occurrence Download

description: A dataset containing 7689 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Bubalus bubalis (Linnaeus, 1758)",
 "Country is Australia",
 "Year is greater than or equal to 1500"
 ]
}

 The dataset includes 7689 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012482-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.n9t4m5
title: Occurrence Download

description: A dataset containing 158043 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is iNaturalist Research-grade Observations",
 "License is one of (CC0 1.0, CC-BY 4.0, CC-BY-NC 4.0)",
 "TaxonKey is one of (Cetacea, Otariidae, Phocidae, Odobenidae, Dugongidae, Trichechidae)"
 ]
}

 The dataset includes 158043 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012421-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rqfj8y
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Colletotrichum orchidearum)",
 "BasisOfRecord is one of (Specimen, Human Observation, Observation, Living Specimen, Machine Observation, Literature Occurrence)",
 "Geometry POLYGON((-180 -90,180 -90,180 90,-180 90,-180 -90))",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012483-241107131044228/datasets/export for details.
DOI: 10.14272/uqjqnvdxrzwzhj-fofkoldfsa-n.2
title: rac-N-((2R)-1-methoxy-2-((R)-3-oxo-1-(thiophen-2-yl)isoindolin-1-yl)propyl)benzamide
title: InChI=1S/C23H22N2O3S/c1-15(22(28-2)24-20(26)16-9-4-3-5-10-16)23(19-13-8-14-29-19)18-12-7-6-11-17(18)21(27)25-23/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t15-,22?,23+/m0/s1

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/C23H22N2O3S/c1-15(22(28-2)24-20(26)16-9-4-3-5-10-16)23(19-13-8-14-29-19)18-12-7-6-11-17(18)21(27)25-23/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t15-,22?,23+/m0/s1, and canonical SMILES descriptor[cheminf_000007]: COC([C@@H]([C@]1(NC(=O)c2c1cccc2)c1cccs1)C)NC(=O)c1ccccc1, 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-48224

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 162.0 - 164.5 (°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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000473 | atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 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/uqjqnvdxrzwzhj-fofkoldfsa-n/chmo0000473.1
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) ()
title: InChI=1S/C23H22N2O3S/c1-15(22(28-2)24-20(26)16-9-4-3-5-10-16)23(19-13-8-14-29-19)18-12-7-6-11-17(18)21(27)25-23/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t15-,22?,23+/m0/s1

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.14272/uqjqnvdxrzwzhj-fofkoldfsa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C23H22N2O3S/c1-15(22(28-2)24-20(26)16-9-4-3-5-10-16)23(19-13-8-14-29-19)18-12-7-6-11-17(18)21(27)25-23/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t15-,22?,23+/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/uqjqnvdxrzwzhj-fofkoldfsa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C23H22N2O3S/c1-15(22(28-2)24-20(26)16-9-4-3-5-10-16)23(19-13-8-14-29-19)18-12-7-6-11-17(18)21(27)25-23/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t15-,22?,23+/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/uqjqnvdxrzwzhj-fofkoldfsa-n/chmo0000763.1
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C23H22N2O3S/c1-15(22(28-2)24-20(26)16-9-4-3-5-10-16)23(19-13-8-14-29-19)18-12-7-6-11-17(18)21(27)25-23/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t15-,22?,23+/m0/s1

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/gcvygbrtghslee-wzcfghddsa-n/chmo0002136.1
title: chiral stationary phase high-performance liquid chromatography (CSP HPLC) ()
title: InChI=1S/C24H28N2O4/c1-13-20(25-22(28)23(2,3)4)19-17(11-14(29-5)12-18(19)30-6)24(13)16-10-8-7-9-15(16)21(27)26-24/h7-13,20H,1-6H3,(H,25,28)(H,26,27)/t13-,20-,24+/m0/s1

description: dataset for chiral stationary phase high-performance liquid chromatography (CSP HPLC)
DOI: 10.5281/zenodo.13627539
title: Pulse of the Library report from Clarivate - full survey findings

description: The Pulse of the LibraryTM report from Clarivate combines feedback from a survey and qualitative interviews with more than 1,500 respondents from across the world, covering academic, national and public libraries. It aims to provide a pulse on the current trends, concerns and opportunities within the library community, with a particular focus on technological change, including AI. Analysis was conducted in partnership with an external agency, TBI Communications, with further qualitative interviews led by Clarivate.

Content enclosed: Full survey findings in Excel
DOI: 10.5281/zenodo.13627540
title: Pulse of the Library report from Clarivate - full survey findings

description: The Pulse of the LibraryTM report from Clarivate combines feedback from a survey and qualitative interviews with more than 1,500 respondents from across the world, covering academic, national and public libraries. It aims to provide a pulse on the current trends, concerns and opportunities within the library community, with a particular focus on technological change, including AI. Analysis was conducted in partnership with an external agency, TBI Communications, with further qualitative interviews led by Clarivate.

Content enclosed: Full survey findings in Excel
DOI: 10.5281/zenodo.14141902
title: Pulse of the Library report from Clarivate - full survey findings

description: The Pulse of the LibraryTM report from Clarivate combines feedback from a survey and qualitative interviews with more than 1,500 respondents from across the world, covering academic, national and public libraries. It aims to provide a pulse on the current trends, concerns and opportunities within the library community, with a particular focus on technological change, including AI. Analysis was conducted in partnership with an external agency, TBI Communications, with further qualitative interviews led by Clarivate.

Content enclosed: Full survey findings in Excel
DOI: 10.14272/gcvygbrtghslee-wzcfghddsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C24H28N2O4/c1-13-20(25-22(28)23(2,3)4)19-17(11-14(29-5)12-18(19)30-6)24(13)16-10-8-7-9-15(16)21(27)26-24/h7-13,20H,1-6H3,(H,25,28)(H,26,27)/t13-,20-,24+/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/gcvygbrtghslee-wzcfghddsa-n/chmo0000779
title: polarimetry (optical rotation measurement) ()
title: InChI=1S/C24H28N2O4/c1-13-20(25-22(28)23(2,3)4)19-17(11-14(29-5)12-18(19)30-6)24(13)16-10-8-7-9-15(16)21(27)26-24/h7-13,20H,1-6H3,(H,25,28)(H,26,27)/t13-,20-,24+/m0/s1

description: dataset for polarimetry (optical rotation measurement)
DOI: 10.14272/gcvygbrtghslee-wzcfghddsa-n/chmo0001076
title: carbon, hydrogen and nitrogen elemental analysis (CHN analysis) ()
title: InChI=1S/C24H28N2O4/c1-13-20(25-22(28)23(2,3)4)19-17(11-14(29-5)12-18(19)30-6)24(13)16-10-8-7-9-15(16)21(27)26-24/h7-13,20H,1-6H3,(H,25,28)(H,26,27)/t13-,20-,24+/m0/s1

description: dataset for carbon, hydrogen and nitrogen elemental analysis (CHN analysis)
DOI: 10.14272/gcvygbrtghslee-wzcfghddsa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C24H28N2O4/c1-13-20(25-22(28)23(2,3)4)19-17(11-14(29-5)12-18(19)30-6)24(13)16-10-8-7-9-15(16)21(27)26-24/h7-13,20H,1-6H3,(H,25,28)(H,26,27)/t13-,20-,24+/m0/s1

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/gcvygbrtghslee-wzcfghddsa-n/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) ()
title: InChI=1S/C24H28N2O4/c1-13-20(25-22(28)23(2,3)4)19-17(11-14(29-5)12-18(19)30-6)24(13)16-10-8-7-9-15(16)21(27)26-24/h7-13,20H,1-6H3,(H,25,28)(H,26,27)/t13-,20-,24+/m0/s1

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.14272/gcvygbrtghslee-wzcfghddsa-n/chmo0002136
title: chiral stationary phase high-performance liquid chromatography (CSP HPLC) ()
title: InChI=1S/C24H28N2O4/c1-13-20(25-22(28)23(2,3)4)19-17(11-14(29-5)12-18(19)30-6)24(13)16-10-8-7-9-15(16)21(27)26-24/h7-13,20H,1-6H3,(H,25,28)(H,26,27)/t13-,20-,24+/m0/s1

description: dataset for chiral stationary phase high-performance liquid chromatography (CSP HPLC)
DOI: 10.14272/gcvygbrtghslee-wzcfghddsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C24H28N2O4/c1-13-20(25-22(28)23(2,3)4)19-17(11-14(29-5)12-18(19)30-6)24(13)16-10-8-7-9-15(16)21(27)26-24/h7-13,20H,1-6H3,(H,25,28)(H,26,27)/t13-,20-,24+/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/gcvygbrtghslee-wzcfghddsa-n.1
title: N-((1S,2S,3S)-4,6-dimethoxy-2-methyl-3'-oxo-2,3-dihydrospiro[indene-1,1'-isoindolin]-3-yl)pivalamide
title: InChI=1S/C24H28N2O4/c1-13-20(25-22(28)23(2,3)4)19-17(11-14(29-5)12-18(19)30-6)24(13)16-10-8-7-9-15(16)21(27)26-24/h7-13,20H,1-6H3,(H,25,28)(H,26,27)/t13-,20-,24+/m0/s1

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/C24H28N2O4/c1-13-20(25-22(28)23(2,3)4)19-17(11-14(29-5)12-18(19)30-6)24(13)16-10-8-7-9-15(16)21(27)26-24/h7-13,20H,1-6H3,(H,25,28)(H,26,27)/t13-,20-,24+/m0/s1, and canonical SMILES descriptor[cheminf_000007]: COc1cc(OC)cc2c1[C@@H](NC(=O)C(C)(C)C)[C@@H]([C@@]12NC(=O)c2c1cccc2)C, 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-46614

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 220.0 (°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:0000779 | polarimetry (optical rotation measurement)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0001076 | carbon, hydrogen and nitrogen elemental analysis (CHN analysis)
 
 CHMO:0000473 | atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
 
 CHMO:0002136 | chiral stationary phase high-performance liquid chromatography (CSP HPLC)
 
 CHMO:0002136 | chiral stationary phase high-performance liquid chromatography (CSP HPLC)
 
 CHMO:0002136 | chiral stationary phase high-performance liquid chromatography (CSP HPLC)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C 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: 10.14272/gcvygbrtghslee-wzcfghddsa-n/chmo0002136.2
title: chiral stationary phase high-performance liquid chromatography (CSP HPLC) ()
title: InChI=1S/C24H28N2O4/c1-13-20(25-22(28)23(2,3)4)19-17(11-14(29-5)12-18(19)30-6)24(13)16-10-8-7-9-15(16)21(27)26-24/h7-13,20H,1-6H3,(H,25,28)(H,26,27)/t13-,20-,24+/m0/s1

description: dataset for chiral stationary phase high-performance liquid chromatography (CSP HPLC)
DOI: 10.14272/vismfoamritkdt-opilkimusa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C23H22N2O3S/c1-15(22(28-2)24-20(26)16-8-4-3-5-9-16)23(17-12-13-29-14-17)19-11-7-6-10-18(19)21(27)25-23/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t15-,22?,23-/m0/s1

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/vismfoamritkdt-opilkimusa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C23H22N2O3S/c1-15(22(28-2)24-20(26)16-8-4-3-5-9-16)23(17-12-13-29-14-17)19-11-7-6-10-18(19)21(27)25-23/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t15-,22?,23-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/vismfoamritkdt-opilkimusa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C23H22N2O3S/c1-15(22(28-2)24-20(26)16-8-4-3-5-9-16)23(17-12-13-29-14-17)19-11-7-6-10-18(19)21(27)25-23/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t15-,22?,23-/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/vismfoamritkdt-opilkimusa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C23H22N2O3S/c1-15(22(28-2)24-20(26)16-8-4-3-5-9-16)23(17-12-13-29-14-17)19-11-7-6-10-18(19)21(27)25-23/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t15-,22?,23-/m0/s1

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/vismfoamritkdt-opilkimusa-n.1
title: N-((2R)-1-methoxy-2-((R)-3-oxo-1-(thiophen-3-yl)isoindolin-1-yl)propyl)benzamide
title: InChI=1S/C23H22N2O3S/c1-15(22(28-2)24-20(26)16-8-4-3-5-9-16)23(17-12-13-29-14-17)19-11-7-6-10-18(19)21(27)25-23/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t15-,22?,23-/m0/s1

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/C23H22N2O3S/c1-15(22(28-2)24-20(26)16-8-4-3-5-9-16)23(17-12-13-29-14-17)19-11-7-6-10-18(19)21(27)25-23/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t15-,22?,23-/m0/s1, and canonical SMILES descriptor[cheminf_000007]: COC([C@@H]([C@]1(NC(=O)c2c1cccc2)c1cscc1)C)NC(=O)c1ccccc1, 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-48231

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 186.0 (°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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000498 | high-resolution mass spectrometry (HRMS)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000473 | atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
 
 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/vismfoamritkdt-opilkimusa-n/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) ()
title: InChI=1S/C23H22N2O3S/c1-15(22(28-2)24-20(26)16-8-4-3-5-9-16)23(17-12-13-29-14-17)19-11-7-6-10-18(19)21(27)25-23/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t15-,22?,23-/m0/s1

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.14272/fpgofnanycizrq-kkclfwlvsa-n/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) ()
title: InChI=1S/C27H26N2O4/c1-4-19-24(28-25(30)16-10-6-5-7-11-16)23-21(14-17(32-2)15-22(23)33-3)27(19)20-13-9-8-12-18(20)26(31)29-27/h5-15,19,24H,4H2,1-3H3,(H,28,30)(H,29,31)/t19-,24-,27+/m0/s1

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.14272/fpgofnanycizrq-kkclfwlvsa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C27H26N2O4/c1-4-19-24(28-25(30)16-10-6-5-7-11-16)23-21(14-17(32-2)15-22(23)33-3)27(19)20-13-9-8-12-18(20)26(31)29-27/h5-15,19,24H,4H2,1-3H3,(H,28,30)(H,29,31)/t19-,24-,27+/m0/s1

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/fpgofnanycizrq-kkclfwlvsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C27H26N2O4/c1-4-19-24(28-25(30)16-10-6-5-7-11-16)23-21(14-17(32-2)15-22(23)33-3)27(19)20-13-9-8-12-18(20)26(31)29-27/h5-15,19,24H,4H2,1-3H3,(H,28,30)(H,29,31)/t19-,24-,27+/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/fpgofnanycizrq-kkclfwlvsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C27H26N2O4/c1-4-19-24(28-25(30)16-10-6-5-7-11-16)23-21(14-17(32-2)15-22(23)33-3)27(19)20-13-9-8-12-18(20)26(31)29-27/h5-15,19,24H,4H2,1-3H3,(H,28,30)(H,29,31)/t19-,24-,27+/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/fpgofnanycizrq-kkclfwlvsa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C27H26N2O4/c1-4-19-24(28-25(30)16-10-6-5-7-11-16)23-21(14-17(32-2)15-22(23)33-3)27(19)20-13-9-8-12-18(20)26(31)29-27/h5-15,19,24H,4H2,1-3H3,(H,28,30)(H,29,31)/t19-,24-,27+/m0/s1

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)