cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.22002/2veh7-54721
title: Myxococcus xanthus delta-tsaP

description: Grid box YWC121
description: <strong>Tilt Series Date:</strong> 2014-10-22</p>
<strong>Data Taken By:</strong> Yi-Wei Chang</p>
<strong>Species / Specimen:</strong> Myxococcus xanthus</p>
<strong>Strain:</strong> </p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-60.0°, 60.0°), step: 1.0°, constant angular increment, dosage: 180.0 eV/Å²,  defocus: -6.0 μm,  magnification: 27500x. </p>
<strong>Microscope:</strong> Caltech Polara</p>
<strong>Acquisition Software:</strong> UCSFTomo</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> Strain form Lotte Sogaard-Andersen</p>
<strong>Purification / Growth Conditions / Treatment:</strong> Cells grown 2 days in 200 rpm shaking CTT medium at 30 degrees without antibiotics. OD600=0.8</p>
<strong>Sample Preparation:</strong> Vitrobot (MK vi) settings: 100% humidity, 3µl sample, 10 mg/ml BSA treated gold. Blot force 6, blot time 2.5 sec. Wait time 0 sec. Drain time 1 sec. Ethane/propane mix. Grid: Quantifoil Cu 2/2 200.</p>
description: Files available via S3 at https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/ycw2014-10-22-50/rawdata/</p>20141022_YWC121_40020.mrc,  Tilt Series (Pixel Size 0.39 nm), 3.4 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/ycw2014-10-22-50/rawdata/20141022_YWC121_40020.mrc"
        > <i class="download icon"></i> Download </a></p>

        20141022_YWC121_40020_full.rec,  Reconstruction (Pixel Size 1.56 nm), 712.7 MB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/ycw2014-10-22-50/3dimage_47491/20141022_YWC121_40020_full.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.22002/47xff-6a841
title: Myxococcus xanthus delta-tsaP

description: Grid box YWC106
description: <strong>Tilt Series Date:</strong> 2014-07-07</p>
<strong>Data Taken By:</strong> Yi-Wei Chang</p>
<strong>Species / Specimen:</strong> Myxococcus xanthus</p>
<strong>Strain:</strong> </p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-65.0°, 65.0°), step: 1.0°, constant angular increment, dosage: 200.0 eV/Å²,  defocus: -8.0 μm,  magnification: 27500x. </p>
<strong>Microscope:</strong> Caltech Polara</p>
<strong>Acquisition Software:</strong> UCSFTomo</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> Strain form Lotte Sogaard-Andersen</p>
<strong>Purification / Growth Conditions / Treatment:</strong> Cells grown 48 hr in shaking CTT medium at 30 degrees without antibiotics. OD600=0.7</p>
<strong>Sample Preparation:</strong> Vitrobot settings: 100% humidity, 3µl sample, 10 mg/ml BSA treated gold. Manual blot, ~3 sec blot time. Ethane/propane mix. Grid: Quantifoil Cu 2/2 Finder.</p>
description: Files available via S3 at https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/ycw2014-07-07-58/rawdata/</p>20140707_YWC106_30010.mrc,  Tilt Series (Pixel Size 0.39 nm), 3.7 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/ycw2014-07-07-58/rawdata/20140707_YWC106_30010.mrc"
        > <i class="download icon"></i> Download </a></p>

        20140707_YWC106_30010_part131_62.rec,  Reconstruction (Pixel Size 1.56 nm), 712.7 MB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/ycw2014-07-07-58/3dimage_44491/20140707_YWC106_30010_part131_62.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.15468/dl.xdarwa
title: Occurrence Download

description: A dataset containing 11 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Spiraea chamaedryfolia",
 "Country is Canada",
 "HasCoordinate is true"
 ]
}

 The dataset includes 11 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002595-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.22002/qc5kb-4vd67
title: E.coli "strain 2" P221D

description: E.coli "strain 2" P221D chromosomal tsr mutant locked in the CHeA inactive (CCWA) state
description: <strong>Tilt Series Date:</strong> 2012-02-21</p>
<strong>Data Taken By:</strong> Ariane Briegel</p>
<strong>Species / Specimen:</strong> Escherichia coli</p>
<strong>Strain:</strong> RP 437</p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-63.0°, 63.0°), step: 1°, constant angular increment, dosage: 160.0 eV/Å²,  defocus: -10.0 μm,  magnification: 34000x. </p>
<strong>Acquisition Software:</strong> UCSFTomo</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> John S. Parkinson</p>
<strong>Purification / Growth Conditions / Treatment:</strong> cells grown at 30 degree C in TB/gentamycin to OD600: 0.38.culture was concentrated (x4) and resuspended in TB/gentamycin penicillin. Incubation 1 hour at 30 degrees.</p>
<strong>Sample Preparation:</strong> frozen with Vitrobot settings:-4 offset3.5s blot timeno drain 3 µl sample100% humiditypure ethane</p>
description: Files available via S3 at https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/aba2012-02-21-27/rawdata/</p>strain2day20009.mrc,  Tilt Series (Pixel Size 0.644 nm), 1.1 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/aba2012-02-21-27/rawdata/strain2day20009.mrc"
        > <i class="download icon"></i> Download </a></p>

        strain2day20009_part.rec,  Reconstruction (Pixel Size 1.288 nm), 516.1 MB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/aba2012-02-21-27/3dimage_17170/strain2day20009_part.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.15468/dl.v6s8dp
title: Occurrence Download

description: A dataset containing 11726027 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 11726027 records from 5442 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002515-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/mapydysiruoqrz-beqmoxjmsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C86H68O4S2/c1-87-73-37-27-65(28-38-73)85(66-29-39-74(88-2)40-30-66)63-23-19-61(20-24-63)71-35-47-83-79(53-71)77-51-57(11-45-81(77)91-83)9-17-69-49-55-5-13-59(69)15-7-56-6-14-60(16-8-55)70(50-56)18-10-58-12-46-82-78(52-58)80-54-72(36-48-84(80)92-82)62-21-25-64(26-22-62)86(67-31-41-75(89-3)42-32-67)68-33-43-76(90-4)44-34-68/h5-6,9-14,17-54,85-86H,7-8,15-16H2,1-4H3/b17-9+,18-10+

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/mapydysiruoqrz-beqmoxjmsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C86H68O4S2/c1-87-73-37-27-65(28-38-73)85(66-29-39-74(88-2)40-30-66)63-23-19-61(20-24-63)71-35-47-83-79(53-71)77-51-57(11-45-81(77)91-83)9-17-69-49-55-5-13-59(69)15-7-56-6-14-60(16-8-55)70(50-56)18-10-58-12-46-82-78(52-58)80-54-72(36-48-84(80)92-82)62-21-25-64(26-22-62)86(67-31-41-75(89-3)42-32-67)68-33-43-76(90-4)44-34-68/h5-6,9-14,17-54,85-86H,7-8,15-16H2,1-4H3/b17-9+,18-10+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mapydysiruoqrz-beqmoxjmsa-n.1
title: C86H68O4S2
title: InChI=1S/C86H68O4S2/c1-87-73-37-27-65(28-38-73)85(66-29-39-74(88-2)40-30-66)63-23-19-61(20-24-63)71-35-47-83-79(53-71)77-51-57(11-45-81(77)91-83)9-17-69-49-55-5-13-59(69)15-7-56-6-14-60(16-8-55)70(50-56)18-10-58-12-46-82-78(52-58)80-54-72(36-48-84(80)92-82)62-21-25-64(26-22-62)86(67-31-41-75(89-3)42-32-67)68-33-43-76(90-4)44-34-68/h5-6,9-14,17-54,85-86H,7-8,15-16H2,1-4H3/b17-9+,18-10+

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/C86H68O4S2/c1-87-73-37-27-65(28-38-73)85(66-29-39-74(88-2)40-30-66)63-23-19-61(20-24-63)71-35-47-83-79(53-71)77-51-57(11-45-81(77)91-83)9-17-69-49-55-5-13-59(69)15-7-56-6-14-60(16-8-55)70(50-56)18-10-58-12-46-82-78(52-58)80-54-72(36-48-84(80)92-82)62-21-25-64(26-22-62)86(67-31-41-75(89-3)42-32-67)68-33-43-76(90-4)44-34-68/h5-6,9-14,17-54,85-86H,7-8,15-16H2,1-4H3/b17-9+,18-10+, and canonical SMILES descriptor[cheminf_000007]: COc1ccc(cc1)C(c1ccc(cc1)OC)c1ccc(cc1)c1ccc2c(c1)c1cc(/C=C/c3cc4CCc5ccc(CCc3cc4)cc5/C=C/c3ccc4c(c3)c3cc(ccc3s4)c3ccc(cc3)C(c3ccc(cc3)OC)c3ccc(cc3)OC)ccc1s2, 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-48317

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 243.0 (°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:0000736 | electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 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/mapydysiruoqrz-beqmoxjmsa-n/chmo0000736
title: electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS) ()
title: InChI=1S/C86H68O4S2/c1-87-73-37-27-65(28-38-73)85(66-29-39-74(88-2)40-30-66)63-23-19-61(20-24-63)71-35-47-83-79(53-71)77-51-57(11-45-81(77)91-83)9-17-69-49-55-5-13-59(69)15-7-56-6-14-60(16-8-55)70(50-56)18-10-58-12-46-82-78(52-58)80-54-72(36-48-84(80)92-82)62-21-25-64(26-22-62)86(67-31-41-75(89-3)42-32-67)68-33-43-76(90-4)44-34-68/h5-6,9-14,17-54,85-86H,7-8,15-16H2,1-4H3/b17-9+,18-10+

description: dataset for electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS)
DOI: 10.14272/mapydysiruoqrz-beqmoxjmsa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C86H68O4S2/c1-87-73-37-27-65(28-38-73)85(66-29-39-74(88-2)40-30-66)63-23-19-61(20-24-63)71-35-47-83-79(53-71)77-51-57(11-45-81(77)91-83)9-17-69-49-55-5-13-59(69)15-7-56-6-14-60(16-8-55)70(50-56)18-10-58-12-46-82-78(52-58)80-54-72(36-48-84(80)92-82)62-21-25-64(26-22-62)86(67-31-41-75(89-3)42-32-67)68-33-43-76(90-4)44-34-68/h5-6,9-14,17-54,85-86H,7-8,15-16H2,1-4H3/b17-9+,18-10+

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.5281/zenodo.15450747
title: Database: Therapeutic Use of Cannabis: Perceptions of Youth and Adults in Trujillo, Peru
DOI: 10.5281/zenodo.15602614
title: Database: Therapeutic Use of Cannabis: Perceptions of Youth and Adults in Trujillo, Peru
DOI: 10.5281/zenodo.15450746
title: Database: Therapeutic Use of Cannabis: Perceptions of Youth and Adults in Trujillo, Peru
DOI: 10.5281/zenodo.15602692
title: Database: Therapeutic Use of Cannabis: Perceptions of Youth and Adults in Trujillo, Peru
DOI: 10.15468/dl.3g8zuf
title: Occurrence Download

description: A dataset containing 110 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Country is Brazil",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Platymiscium floribundum var. obtusifolium (Harms) Klitg."
 ]
}

 The dataset includes 110 records from 20 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022753-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/mxsvqojvestwla-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (5,12-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C20H16/c1-3-17-13-15-5-6-16-8-10-20(18(4-2)14-16)12-11-19(17)9-7-15/h1-2,7-10,13-14H,5-6,11-12H2

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/mxsvqojvestwla-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (5,12-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C20H16/c1-3-17-13-15-5-6-16-8-10-20(18(4-2)14-16)12-11-19(17)9-7-15/h1-2,7-10,13-14H,5-6,11-12H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mxsvqojvestwla-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (5,12-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C20H16/c1-3-17-13-15-5-6-16-8-10-20(18(4-2)14-16)12-11-19(17)9-7-15/h1-2,7-10,13-14H,5-6,11-12H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mxsvqojvestwla-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (5,12-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C20H16/c1-3-17-13-15-5-6-16-8-10-20(18(4-2)14-16)12-11-19(17)9-7-15/h1-2,7-10,13-14H,5-6,11-12H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/mxsvqojvestwla-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (5,12-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C20H16/c1-3-17-13-15-5-6-16-8-10-20(18(4-2)14-16)12-11-19(17)9-7-15/h1-2,7-10,13-14H,5-6,11-12H2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/mxsvqojvestwla-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (5,12-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C20H16/c1-3-17-13-15-5-6-16-8-10-20(18(4-2)14-16)12-11-19(17)9-7-15/h1-2,7-10,13-14H,5-6,11-12H2

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/mxsvqojvestwla-uhfffaoysa-n.1
title: C20H16
title: InChI=1S/C20H16/c1-3-17-13-15-5-6-16-8-10-20(18(4-2)14-16)12-11-19(17)9-7-15/h1-2,7-10,13-14H,5-6,11-12H2

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/C20H16/c1-3-17-13-15-5-6-16-8-10-20(18(4-2)14-16)12-11-19(17)9-7-15/h1-2,7-10,13-14H,5-6,11-12H2, and canonical SMILES descriptor[cheminf_000007]: C#Cc1cc2ccc1CCc1ccc(CC2)cc1C#C, and by the IUPAC name[cheminf_000107]: 5,12-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.
 
 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-46351

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 133.0 (°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:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000480 | electron ionisation mass spectrometry (EI-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/mxsvqojvestwla-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (5,12-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C20H16/c1-3-17-13-15-5-6-16-8-10-20(18(4-2)14-16)12-11-19(17)9-7-15/h1-2,7-10,13-14H,5-6,11-12H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/bmymqumnixyugd-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (5,11-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C20H16/c1-3-17-13-15-5-9-19(17)11-7-16-6-10-20(12-8-15)18(4-2)14-16/h1-2,5-6,9-10,13-14H,7-8,11-12H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/bmymqumnixyugd-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (5,11-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C20H16/c1-3-17-13-15-5-9-19(17)11-7-16-6-10-20(12-8-15)18(4-2)14-16/h1-2,5-6,9-10,13-14H,7-8,11-12H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/bmymqumnixyugd-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (5,11-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C20H16/c1-3-17-13-15-5-9-19(17)11-7-16-6-10-20(12-8-15)18(4-2)14-16/h1-2,5-6,9-10,13-14H,7-8,11-12H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/bmymqumnixyugd-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (5,11-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C20H16/c1-3-17-13-15-5-9-19(17)11-7-16-6-10-20(12-8-15)18(4-2)14-16/h1-2,5-6,9-10,13-14H,7-8,11-12H2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/bmymqumnixyugd-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (5,11-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C20H16/c1-3-17-13-15-5-9-19(17)11-7-16-6-10-20(12-8-15)18(4-2)14-16/h1-2,5-6,9-10,13-14H,7-8,11-12H2

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/bmymqumnixyugd-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (5,11-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C20H16/c1-3-17-13-15-5-9-19(17)11-7-16-6-10-20(12-8-15)18(4-2)14-16/h1-2,5-6,9-10,13-14H,7-8,11-12H2

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/bmymqumnixyugd-uhfffaoysa-n.1
title: (rac)-4,16-diethynyl[2.2]paracyclophane
title: InChI=1S/C20H16/c1-3-17-13-15-5-9-19(17)11-7-16-6-10-20(12-8-15)18(4-2)14-16/h1-2,5-6,9-10,13-14H,7-8,11-12H2

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/C20H16/c1-3-17-13-15-5-9-19(17)11-7-16-6-10-20(12-8-15)18(4-2)14-16/h1-2,5-6,9-10,13-14H,7-8,11-12H2, and canonical SMILES descriptor[cheminf_000007]: C#Cc1cc2CCc3ccc(CCc1cc2)cc3C#C, and by the IUPAC name[cheminf_000107]: 5,11-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.
 
 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-46342

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 205.0 (°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:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000480 | electron ionisation mass spectrometry (EI-MS)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 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/bmymqumnixyugd-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (5,11-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C20H16/c1-3-17-13-15-5-9-19(17)11-7-16-6-10-20(12-8-15)18(4-2)14-16/h1-2,5-6,9-10,13-14H,7-8,11-12H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.15468/dl.htjqv6
title: Occurrence Download

description: A dataset containing 14 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is one of (India, China, Myanmar, Nepal, Bhutan, Bangladesh, Pakistan, Afghanistan)",
 "TaxonKey is Celaenorrhinus dhanada (Moore, 1865)"
 ]
}

 The dataset includes 14 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022570-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.