cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.2drmx5
title: Occurrence Download

description: A dataset containing 9 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Rubus erlangeri Engl."
 ]
}

 The dataset includes 9 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009544-250415084134356/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.sws68s
title: Occurrence Download

description: A dataset containing 570 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Netherlands",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Canis lupus Linnaeus, 1758",
 "Year 2015-2025"
 ]
}

 The dataset includes 570 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009545-250415084134356/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/sa-fuhff-uhfffadpsc-mvzqzjznej-uhfffadpsc-nuhff-nuhff-nuhff-zzz/bfo0000015
title: process
title: reaction/SA-FUHFF-UHFFFADPSC-MVZQZJZNEJ-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ

description: dataset for process
DOI: 10.14272/mvzqzjznejderu-uhfffaoysa-n.1
title: C22H25N
title: InChI=1S/C22H25N/c1-16(22(2,3)15-23)21-14-19-9-8-17-4-6-18(7-5-17)10-12-20(21)13-11-19/h4-7,11,13-14,16H,8-10,12H2,1-3H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367], while the molecule[CHEBI_25367] is only part of the composition and does not describe the chemical entity[CHEBI_24431] sufficiently.
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C22H25N/c1-16(22(2,3)15-23)21-14-19-9-8-17-4-6-18(7-5-17)10-12-20(21)13-11-19/h4-7,11,13-14,16H,8-10,12H2,1-3H3, and canonical SMILES descriptor[cheminf_000007]: N#CC(C(c1cc2ccc1CCc1ccc(CC2)cc1)C)(C)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-43543

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 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]:
 
 BFO:0000015 | process
 
 CHMO:0001011 | gel filtration chromatography (GPC)
 
 CHMO:0001011 | gel filtration chromatography (GPC)
 
 CHMO:0001011 | gel filtration chromatography (GPC)
 
 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/mvzqzjznejderu-uhfffaoysa-n/bfo0000015.1
title: process ()
title: InChI=1S/C22H25N/c1-16(22(2,3)15-23)21-14-19-9-8-17-4-6-18(7-5-17)10-12-20(21)13-11-19/h4-7,11,13-14,16H,8-10,12H2,1-3H3

description: dataset for process
DOI: 10.14272/mvzqzjznejderu-uhfffaoysa-n/chmo0001011
title: gel filtration chromatography (GPC) ()
title: InChI=1S/C22H25N/c1-16(22(2,3)15-23)21-14-19-9-8-17-4-6-18(7-5-17)10-12-20(21)13-11-19/h4-7,11,13-14,16H,8-10,12H2,1-3H3

description: dataset for gel filtration chromatography (GPC)
DOI: 10.14272/mvzqzjznejderu-uhfffaoysa-n/chmo0001011.1
title: gel filtration chromatography (GPC) ()
title: InChI=1S/C22H25N/c1-16(22(2,3)15-23)21-14-19-9-8-17-4-6-18(7-5-17)10-12-20(21)13-11-19/h4-7,11,13-14,16H,8-10,12H2,1-3H3

description: dataset for gel filtration chromatography (GPC)
DOI: 10.14272/mvzqzjznejderu-uhfffaoysa-n/chmo0001011.2
title: gel filtration chromatography (GPC) ()
title: InChI=1S/C22H25N/c1-16(22(2,3)15-23)21-14-19-9-8-17-4-6-18(7-5-17)10-12-20(21)13-11-19/h4-7,11,13-14,16H,8-10,12H2,1-3H3

description: dataset for gel filtration chromatography (GPC)
DOI: 10.14272/dummy/chmo0001011.1
title: gel filtration chromatography (GPC) ()

description: dataset for gel filtration chromatography (GPC)
DOI: 10.14272/sa-fuhff-uhfffadpsc-uhfffadpsc-uhfffadpsc-nuhff-nuhff-nuhff-zaz/bfo0000015
title: process
title: reaction/SA-FUHFF-UHFFFADPSC-UHFFFADPSC-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZAZ

description: dataset for process
DOI: 10.14272/dummy.9

description: This is a physical chemical entity[CHEBI_24431] which was not directly associated with a molecule[CHEBI_25367].
 The physical chemical entity[CHEBI_24431] can be described by the molecular mass descriptor [cheminf_000088]: 2036.0.
 
 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-43536

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 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]:
 
 BFO:0000015 | process
 
 CHMO:0001011 | gel filtration chromatography (GPC)
 
 CHMO:0001011 | gel filtration chromatography (GPC)
 
 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/dummy/bfo0000015.3
title: process ()

description: dataset for process
DOI: 10.14272/dummy/chmo0001011.2
title: gel filtration chromatography (GPC) ()

description: dataset for gel filtration chromatography (GPC)
DOI: 10.14272/dummy/chmo0000630.3
title: infrared absorption spectroscopy (IR) ()

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/dummy.8

description: This is a physical chemical entity[CHEBI_24431] which was not directly associated with a molecule[CHEBI_25367].
 The physical chemical entity[CHEBI_24431] can be described by the molecular mass descriptor [cheminf_000088]: 2711.0.
 
 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-43530

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0001011 | gel filtration chromatography (GPC)
 
 BFO:0000015 | process
 
 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/dummy/bfo0000015.1
title: process ()

description: dataset for process
DOI: 10.14272/dummy/chmo0001011
title: gel filtration chromatography (GPC) ()

description: dataset for gel filtration chromatography (GPC)
DOI: 10.14272/jiwmtsmbodorit-uhfffaoysa-n.5
title: C60H55N5
title: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367], while the molecule[CHEBI_25367] is only part of the composition and does not describe the chemical entity[CHEBI_24431] sufficiently.
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3, and canonical SMILES descriptor[cheminf_000007]: N#CC(C(c1ccc2c(c1)C(C)(C)c1c(N2c2ccc(cc2)c2nc(nc(n2)c2ccccc2)c2ccccc2)cccc1)CC(c1cc2CCc3ccc(CCc1cc2)cc3)C)(C)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-43520

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 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]:
 
 BFO:0000015 | process
 
 CHMO:0001011 | gel filtration chromatography (GPC)
 
 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/jiwmtsmbodorit-uhfffaoysa-n/bfo0000015.4
title: process ()
title: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3

description: dataset for process
DOI: 10.14272/jiwmtsmbodorit-uhfffaoysa-n/chmo0000630.4
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/jiwmtsmbodorit-uhfffaoysa-n/chmo0001011.4
title: gel filtration chromatography (GPC) ()
title: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3

description: dataset for gel filtration chromatography (GPC)
DOI: 10.14272/jiwmtsmbodorit-uhfffaoysa-n.6
title: C60H55N5
title: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367], while the molecule[CHEBI_25367] is only part of the composition and does not describe the chemical entity[CHEBI_24431] sufficiently.
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3, and canonical SMILES descriptor[cheminf_000007]: N#CC(C(c1ccc2c(c1)C(C)(C)c1c(N2c2ccc(cc2)c2nc(nc(n2)c2ccccc2)c2ccccc2)cccc1)CC(c1cc2CCc3ccc(CCc1cc2)cc3)C)(C)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-43525

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 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]:
 
 BFO:0000015 | process
 
 CHMO:0001011 | gel filtration chromatography (GPC)
 
 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/jiwmtsmbodorit-uhfffaoysa-n/bfo0000015.5
title: process ()
title: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3

description: dataset for process
DOI: 10.14272/jiwmtsmbodorit-uhfffaoysa-n/chmo0000630.5
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/jiwmtsmbodorit-uhfffaoysa-n/chmo0001011.5
title: gel filtration chromatography (GPC) ()
title: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3

description: dataset for gel filtration chromatography (GPC)
DOI: 10.14272/ojvmirukbrpgiq-uhfffaoysa-n.1
title: C20H24O
title: InChI=1S/C20H24O/c1-3-20(21-2)19-14-17-9-8-15-4-6-16(7-5-15)10-12-18(19)13-11-17/h4-7,11,13-14,20H,3,8-10,12H2,1-2H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367], while the molecule[CHEBI_25367] is only part of the composition and does not describe the chemical entity[CHEBI_24431] sufficiently.
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C20H24O/c1-3-20(21-2)19-14-17-9-8-15-4-6-16(7-5-15)10-12-18(19)13-11-17/h4-7,11,13-14,20H,3,8-10,12H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CCC(c1cc2CCc3ccc(CCc1cc2)cc3)OC, 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-43547

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 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:0001011 | gel filtration chromatography (GPC)
 
 BFO:0000015 | process
 
 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/ojvmirukbrpgiq-uhfffaoysa-n/bfo0000015
title: process ()
title: InChI=1S/C20H24O/c1-3-20(21-2)19-14-17-9-8-15-4-6-16(7-5-15)10-12-18(19)13-11-17/h4-7,11,13-14,20H,3,8-10,12H2,1-2H3

description: dataset for process
DOI: 10.14272/ojvmirukbrpgiq-uhfffaoysa-n/chmo0001011
title: gel filtration chromatography (GPC) ()
title: InChI=1S/C20H24O/c1-3-20(21-2)19-14-17-9-8-15-4-6-16(7-5-15)10-12-18(19)13-11-17/h4-7,11,13-14,20H,3,8-10,12H2,1-2H3

description: dataset for gel filtration chromatography (GPC)
DOI: 10.14272/jiwmtsmbodorit-uhfffaoysa-n.2
title: poly-(vinyl[2.2]paracyclophane-co-2-vinyl-DMAC-TRZ
title: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367], while the molecule[CHEBI_25367] is only part of the composition and does not describe the chemical entity[CHEBI_24431] sufficiently.
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3, and canonical SMILES descriptor[cheminf_000007]: N#CC(C(c1ccc2c(c1)C(C)(C)c1c(N2c2ccc(cc2)c2nc(nc(n2)c2ccccc2)c2ccccc2)cccc1)CC(c1cc2CCc3ccc(CCc1cc2)cc3)C)(C)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-42809

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 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]:
 
 BFO:0000015 | process
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0001011 | gel filtration chromatography (GPC)
 
 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/jiwmtsmbodorit-uhfffaoysa-n/bfo0000015.1
title: process ()
title: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3

description: dataset for process
DOI: 10.14272/jiwmtsmbodorit-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/jiwmtsmbodorit-uhfffaoysa-n/chmo0001011.1
title: gel filtration chromatography (GPC) ()
title: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3

description: dataset for gel filtration chromatography (GPC)
DOI: 10.14272/jiwmtsmbodorit-uhfffaoysa-n/bfo0000015.3
title: process ()
title: InChI=1S/C60H55N5/c1-40(50-37-43-25-24-41-20-22-42(23-21-41)26-28-44(50)29-27-43)36-52(59(2,3)39-61)48-32-35-55-53(38-48)60(4,5)51-18-12-13-19-54(51)65(55)49-33-30-47(31-34-49)58-63-56(45-14-8-6-9-15-45)62-57(64-58)46-16-10-7-11-17-46/h6-23,27,29-35,37-38,40,52H,24-26,28,36H2,1-5H3

description: dataset for process