cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/klexlynpmiwyqq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-phenyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea)
title: InChI=1S/C24H23N3OS/c28-23(26-27-24(29)25-21-4-2-1-3-5-21)22-16-19-11-10-17-6-8-18(9-7-17)12-14-20(22)15-13-19/h1-9,13,15-16H,10-12,14H2,(H,26,28)(H2,25,27,29)

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.15468/dl.qpeqy2
title: Occurrence Download

description: A dataset containing 207 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Proteus anguinus Laurenti, 1768",
 "HasCoordinate is true",
 "Year is greater than or equal to 2011",
 "Year is less than or equal to 2024"
 ]
}

 The dataset includes 207 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0111867-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/qcropdzmexjrng-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1-ethyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea)
title: InChI=1S/C20H23N3OS/c1-2-21-20(25)23-22-19(24)18-13-16-8-7-14-3-5-15(6-4-14)9-11-17(18)12-10-16/h3-6,10,12-13H,2,7-9,11H2,1H3,(H,22,24)(H2,21,23,25)

description: dataset for mass spectrometry (MS)
DOI: 10.14272/qcropdzmexjrng-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-ethyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea)
title: InChI=1S/C20H23N3OS/c1-2-21-20(25)23-22-19(24)18-13-16-8-7-14-3-5-15(6-4-14)9-11-17(18)12-10-16/h3-6,10,12-13H,2,7-9,11H2,1H3,(H,22,24)(H2,21,23,25)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/qcropdzmexjrng-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-ethyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea)
title: InChI=1S/C20H23N3OS/c1-2-21-20(25)23-22-19(24)18-13-16-8-7-14-3-5-15(6-4-14)9-11-17(18)12-10-16/h3-6,10,12-13H,2,7-9,11H2,1H3,(H,22,24)(H2,21,23,25)

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/qcropdzmexjrng-uhfffaoysa-n.1
title: C20H23N3OS
title: InChI=1S/C20H23N3OS/c1-2-21-20(25)23-22-19(24)18-13-16-8-7-14-3-5-15(6-4-14)9-11-17(18)12-10-16/h3-6,10,12-13H,2,7-9,11H2,1H3,(H,22,24)(H2,21,23,25)

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/C20H23N3OS/c1-2-21-20(25)23-22-19(24)18-13-16-8-7-14-3-5-15(6-4-14)9-11-17(18)12-10-16/h3-6,10,12-13H,2,7-9,11H2,1H3,(H,22,24)(H2,21,23,25), and canonical SMILES descriptor[cheminf_000007]: CCNC(=S)NNC(=O)c1cc2ccc1CCc1ccc(CC2)cc1, and by the IUPAC name[cheminf_000107]: 1-ethyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea.
 
 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-7875

 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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000470 | mass spectrometry (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/qcropdzmexjrng-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-ethyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea)
title: InChI=1S/C20H23N3OS/c1-2-21-20(25)23-22-19(24)18-13-16-8-7-14-3-5-15(6-4-14)9-11-17(18)12-10-16/h3-6,10,12-13H,2,7-9,11H2,1H3,(H,22,24)(H2,21,23,25)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ahewupixidfyrq-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1-benzyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea)
title: InChI=1S/C25H25N3OS/c29-24(27-28-25(30)26-17-21-4-2-1-3-5-21)23-16-20-11-10-18-6-8-19(9-7-18)12-14-22(23)15-13-20/h1-9,13,15-16H,10-12,14,17H2,(H,27,29)(H2,26,28,30)

description: dataset for mass spectrometry (MS)
DOI: 10.14272/ahewupixidfyrq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-benzyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea)
title: InChI=1S/C25H25N3OS/c29-24(27-28-25(30)26-17-21-4-2-1-3-5-21)23-16-20-11-10-18-6-8-19(9-7-18)12-14-22(23)15-13-20/h1-9,13,15-16H,10-12,14,17H2,(H,27,29)(H2,26,28,30)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ahewupixidfyrq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-benzyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea)
title: InChI=1S/C25H25N3OS/c29-24(27-28-25(30)26-17-21-4-2-1-3-5-21)23-16-20-11-10-18-6-8-19(9-7-18)12-14-22(23)15-13-20/h1-9,13,15-16H,10-12,14,17H2,(H,27,29)(H2,26,28,30)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ahewupixidfyrq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-benzyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea)
title: InChI=1S/C25H25N3OS/c29-24(27-28-25(30)26-17-21-4-2-1-3-5-21)23-16-20-11-10-18-6-8-19(9-7-18)12-14-22(23)15-13-20/h1-9,13,15-16H,10-12,14,17H2,(H,27,29)(H2,26,28,30)

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/ahewupixidfyrq-uhfffaoysa-n.1
title: C25H25N3OS
title: InChI=1S/C25H25N3OS/c29-24(27-28-25(30)26-17-21-4-2-1-3-5-21)23-16-20-11-10-18-6-8-19(9-7-18)12-14-22(23)15-13-20/h1-9,13,15-16H,10-12,14,17H2,(H,27,29)(H2,26,28,30)

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/C25H25N3OS/c29-24(27-28-25(30)26-17-21-4-2-1-3-5-21)23-16-20-11-10-18-6-8-19(9-7-18)12-14-22(23)15-13-20/h1-9,13,15-16H,10-12,14,17H2,(H,27,29)(H2,26,28,30), and canonical SMILES descriptor[cheminf_000007]: S=C(NCc1ccccc1)NNC(=O)c1cc2ccc1CCc1ccc(CC2)cc1, and by the IUPAC name[cheminf_000107]: 1-benzyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea.
 
 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-7869

 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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 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/mycccdaciqegnh-uhfffaoysa-n.1
title: 1,4(1,4)-dibenzenacyclohexaphane-12-carbohydrazide
title: InChI=1S/C17H18N2O/c18-19-17(20)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9,18H2,(H,19,20)

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/C17H18N2O/c18-19-17(20)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9,18H2,(H,19,20), and canonical SMILES descriptor[cheminf_000007]: NNC(=O)c1cc2CCc3ccc(CCc1cc2)cc3, and by the IUPAC name[cheminf_000107]: tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbohydrazide.
 
 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-7863

 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: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: 10.14272/mycccdaciqegnh-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbohydrazide)
title: InChI=1S/C17H18N2O/c18-19-17(20)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9,18H2,(H,19,20)

description: dataset for mass spectrometry (MS)
DOI: 10.14272/mycccdaciqegnh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbohydrazide)
title: InChI=1S/C17H18N2O/c18-19-17(20)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9,18H2,(H,19,20)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mycccdaciqegnh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbohydrazide)
title: InChI=1S/C17H18N2O/c18-19-17(20)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9,18H2,(H,19,20)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mycccdaciqegnh-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbohydrazide)
title: InChI=1S/C17H18N2O/c18-19-17(20)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9,18H2,(H,19,20)

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/mgwqwxrmouqwnj-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) (1-prop-2-enyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea)
title: InChI=1S/C21H23N3OS/c1-2-13-22-21(26)24-23-20(25)19-14-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h2-6,10,12,14H,1,7-9,11,13H2,(H,23,25)(H2,22,24,26)

description: dataset for mass spectrometry (MS)
DOI: 10.14272/mgwqwxrmouqwnj-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-prop-2-enyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea)
title: InChI=1S/C21H23N3OS/c1-2-13-22-21(26)24-23-20(25)19-14-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h2-6,10,12,14H,1,7-9,11,13H2,(H,23,25)(H2,22,24,26)

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/mgwqwxrmouqwnj-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1-prop-2-enyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea)
title: InChI=1S/C21H23N3OS/c1-2-13-22-21(26)24-23-20(25)19-14-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h2-6,10,12,14H,1,7-9,11,13H2,(H,23,25)(H2,22,24,26)

description: dataset for mass spectrometry (MS)
DOI: 10.14272/mgwqwxrmouqwnj-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-prop-2-enyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea)
title: InChI=1S/C21H23N3OS/c1-2-13-22-21(26)24-23-20(25)19-14-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h2-6,10,12,14H,1,7-9,11,13H2,(H,23,25)(H2,22,24,26)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mgwqwxrmouqwnj-uhfffaoysa-n.1
title: C21H23N3OS
title: InChI=1S/C21H23N3OS/c1-2-13-22-21(26)24-23-20(25)19-14-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h2-6,10,12,14H,1,7-9,11,13H2,(H,23,25)(H2,22,24,26)

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/C21H23N3OS/c1-2-13-22-21(26)24-23-20(25)19-14-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h2-6,10,12,14H,1,7-9,11,13H2,(H,23,25)(H2,22,24,26), and canonical SMILES descriptor[cheminf_000007]: C=CCNC(=S)NNC(=O)c1cc2ccc1CCc1ccc(CC2)cc1, and by the IUPAC name[cheminf_000107]: 1-prop-2-enyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea.
 
 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-6812

 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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000470 | mass spectrometry (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/mgwqwxrmouqwnj-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-prop-2-enyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea)
title: InChI=1S/C21H23N3OS/c1-2-13-22-21(26)24-23-20(25)19-14-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h2-6,10,12,14H,1,7-9,11,13H2,(H,23,25)(H2,22,24,26)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.15468/dl.afvggr
title: Occurrence Download

description: A dataset containing 1160 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rana latastei Boulenger, 1879",
 "HasCoordinate is true",
 "Year is greater than or equal to 2011",
 "Year is less than or equal to 2024"
 ]
}

 The dataset includes 1160 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0111868-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kc362x
title: Occurrence Download

description: A dataset containing 6 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Mylabris calida (Pallas, 1782)"
 ]
}

 The dataset includes 6 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0111869-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.we5udr
title: Occurrence Download

description: A dataset containing 1381 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Podarcis melisellensis (Braun, 1877)",
 "HasCoordinate is true",
 "Year is greater than or equal to 2011",
 "Year is less than or equal to 2024"
 ]
}

 The dataset includes 1381 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0111870-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/fbrmeufdywlrfr-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (ethyl 9-methoxy-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylate)
title: InChI=1S/C16H13NO6/c1-3-22-15(19)11-7-10-13(23-16(11)20)9-6-8(21-2)4-5-12(9)17-14(10)18/h4-7H,3H2,1-2H3,(H,17,18)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/fbrmeufdywlrfr-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) (ethyl 9-methoxy-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylate)
title: InChI=1S/C16H13NO6/c1-3-22-15(19)11-7-10-13(23-16(11)20)9-6-8(21-2)4-5-12(9)17-14(10)18/h4-7H,3H2,1-2H3,(H,17,18)

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/fbrmeufdywlrfr-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (ethyl 9-methoxy-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylate)
title: InChI=1S/C16H13NO6/c1-3-22-15(19)11-7-10-13(23-16(11)20)9-6-8(21-2)4-5-12(9)17-14(10)18/h4-7H,3H2,1-2H3,(H,17,18)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/gnhbskpkzqbyaa-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (ethyl 9-methyl-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylate)
title: InChI=1S/C16H13NO5/c1-3-21-15(19)11-7-10-13(22-16(11)20)9-6-8(2)4-5-12(9)17-14(10)18/h4-7H,3H2,1-2H3,(H,17,18)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/gnhbskpkzqbyaa-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (ethyl 9-methyl-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylate)
title: InChI=1S/C16H13NO5/c1-3-21-15(19)11-7-10-13(22-16(11)20)9-6-8(2)4-5-12(9)17-14(10)18/h4-7H,3H2,1-2H3,(H,17,18)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/gnhbskpkzqbyaa-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (ethyl 9-methyl-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylate)
title: InChI=1S/C16H13NO5/c1-3-21-15(19)11-7-10-13(22-16(11)20)9-6-8(2)4-5-12(9)17-14(10)18/h4-7H,3H2,1-2H3,(H,17,18)

description: dataset for mass spectrometry (MS)
DOI: 10.14272/huoqzdxbskndlc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (ethyl 6-ethyl-2,5-dioxopyrano[3,2-c]quinoline-3-carboxylate)
title: InChI=1S/C17H15NO5/c1-3-18-13-8-6-5-7-10(13)14-11(15(18)19)9-12(17(21)23-14)16(20)22-4-2/h5-9H,3-4H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/huoqzdxbskndlc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (ethyl 6-ethyl-2,5-dioxopyrano[3,2-c]quinoline-3-carboxylate)
title: InChI=1S/C17H15NO5/c1-3-18-13-8-6-5-7-10(13)14-11(15(18)19)9-12(17(21)23-14)16(20)22-4-2/h5-9H,3-4H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/huoqzdxbskndlc-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) (ethyl 6-ethyl-2,5-dioxopyrano[3,2-c]quinoline-3-carboxylate)
title: InChI=1S/C17H15NO5/c1-3-18-13-8-6-5-7-10(13)14-11(15(18)19)9-12(17(21)23-14)16(20)22-4-2/h5-9H,3-4H2,1-2H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/fbrmeufdywlrfr-uhfffaoysa-n.1
title: C16H13NO6
title: InChI=1S/C16H13NO6/c1-3-22-15(19)11-7-10-13(23-16(11)20)9-6-8(21-2)4-5-12(9)17-14(10)18/h4-7H,3H2,1-2H3,(H,17,18)

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/C16H13NO6/c1-3-22-15(19)11-7-10-13(23-16(11)20)9-6-8(21-2)4-5-12(9)17-14(10)18/h4-7H,3H2,1-2H3,(H,17,18), and canonical SMILES descriptor[cheminf_000007]: CCOC(=O)c1cc2c(=O)[nH]c3c(c2oc1=O)cc(cc3)OC, and by the IUPAC name[cheminf_000107]: ethyl 9-methoxy-2,5-dioxo-6H-pyrano[3,2-c]quinoline-3-carboxylate.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 CCO
 
 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-32402

 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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 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