cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/scqdgwovsfrkfs-uwwqbhoksa-n.1
title: (1S,3aR,11bS)-11-chloro-11b-methyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-ol
title: InChI=1S/C18H17ClO/c1-18-14(9-10-16(18)20)12-6-3-2-5-11(12)13-7-4-8-15(19)17(13)18/h2-8,14,16,20H,9-10H2,1H3/t14-,16+,18-/m1/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/C18H17ClO/c1-18-14(9-10-16(18)20)12-6-3-2-5-11(12)13-7-4-8-15(19)17(13)18/h2-8,14,16,20H,9-10H2,1H3/t14-,16+,18-/m1/s1, and canonical SMILES descriptor[cheminf_000007]: Clc1cccc2-c3ccccc3[C@@H]3[C@](c12)(C)[C@@H](O)CC3, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-57701

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 43.0 (°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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0001151 | 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0002136 | chiral stationary phase high-performance liquid chromatography (CSP HPLC)
 
 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/mlijzusghpmkmn-nxhrzfhosa-n/chmo0002136
title: chiral stationary phase high-performance liquid chromatography (CSP HPLC) ()
title: InChI=1S/C18H17ClO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15,17,20H,8-9H2,1H3/t15-,17-,18+/m1/s1

description: dataset for chiral stationary phase high-performance liquid chromatography (CSP HPLC)
DOI: 10.14272/dkvrpxddhnzjkr-udckcyqbsa-n.1
title: (1R,3aR,11bS)-11b-methyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-yl (R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
title: InChI=1S/C28H25F3O3/c1-26-22-15-9-8-14-20(22)19-12-6-7-13-21(19)23(26)16-17-24(26)34-25(32)27(33-2,28(29,30)31)18-10-4-3-5-11-18/h3-15,23-24H,16-17H2,1-2H3/t23-,24-,26-,27-/m1/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/C28H25F3O3/c1-26-22-15-9-8-14-20(22)19-12-6-7-13-21(19)23(26)16-17-24(26)34-25(32)27(33-2,28(29,30)31)18-10-4-3-5-11-18/h3-15,23-24H,16-17H2,1-2H3/t23-,24-,26-,27-/m1/s1, and canonical SMILES descriptor[cheminf_000007]: CO[C@](C(F)(F)F)(c1ccccc1)C(=O)O[C@@H]1CC[C@H]2[C@@]1(C)c1ccccc1-c1c2cccc1, 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-57753

 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)
 
 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/dkvrpxddhnzjkr-udckcyqbsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C28H25F3O3/c1-26-22-15-9-8-14-20(22)19-12-6-7-13-21(19)23(26)16-17-24(26)34-25(32)27(33-2,28(29,30)31)18-10-4-3-5-11-18/h3-15,23-24H,16-17H2,1-2H3/t23-,24-,26-,27-/m1/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/dkvrpxddhnzjkr-rsqmyvmbsa-n.2
title: (1R,3aR,11bS)-11b-methyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-yl (S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
title: InChI=1S/C28H25F3O3/c1-26-22-15-9-8-14-20(22)19-12-6-7-13-21(19)23(26)16-17-24(26)34-25(32)27(33-2,28(29,30)31)18-10-4-3-5-11-18/h3-15,23-24H,16-17H2,1-2H3/t23-,24-,26-,27+/m1/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/C28H25F3O3/c1-26-22-15-9-8-14-20(22)19-12-6-7-13-21(19)23(26)16-17-24(26)34-25(32)27(33-2,28(29,30)31)18-10-4-3-5-11-18/h3-15,23-24H,16-17H2,1-2H3/t23-,24-,26-,27+/m1/s1, and canonical SMILES descriptor[cheminf_000007]: CO[C@@](C(F)(F)F)(c1ccccc1)C(=O)O[C@@H]1CC[C@H]2[C@@]1(C)c1ccccc1-c1c2cccc1, 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-57756

 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)
 
 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/dkvrpxddhnzjkr-rsqmyvmbsa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C28H25F3O3/c1-26-22-15-9-8-14-20(22)19-12-6-7-13-21(19)23(26)16-17-24(26)34-25(32)27(33-2,28(29,30)31)18-10-4-3-5-11-18/h3-15,23-24H,16-17H2,1-2H3/t23-,24-,26-,27+/m1/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/sfwavjvilkduqg-zfdxrjsusa-n.2
title: (3aR,11bS)-11b-methyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-one-3a,8,9,10,11-d5
title: InChI=1S/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D

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/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D, and canonical SMILES descriptor[cheminf_000007]: [2H]c1c([2H])c([2H])c2-c3ccccc3[C@@]3([C@](c2c1[2H])(C)C(=O)CC3)[2H], 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-57759

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 98.0 (°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)
 
 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/sfwavjvilkduqg-zfdxrjsusa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.15468/dl.j8wqsu
title: Occurrence Download

description: A dataset containing 5810 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Grassland cartography SICONA, Recorder-Lux database"
 ]
}

 The dataset includes 5810 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005260-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/sfwavjvilkduqg-zfdxrjsusa-n.3
title: (3aR,11bS)-11b-methyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-one-3a,8,9,10,11-d5
title: InChI=1S/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D

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/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D, and canonical SMILES descriptor[cheminf_000007]: [2H]c1c([2H])c([2H])c2-c3ccccc3[C@@]3([C@](c2c1[2H])(C)C(=O)CC3)[2H], 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-57762

 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)
 
 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/sfwavjvilkduqg-zfdxrjsusa-n/chmo0000593.2
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/sfwavjvilkduqg-zfdxrjsusa-n.4
title: (3aR,11bS)-11b-methyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-one-3a,8,9,10,11-d5
title: InChI=1S/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D

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/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D, and canonical SMILES descriptor[cheminf_000007]: [2H]c1c([2H])c([2H])c2-c3ccccc3[C@@]3([C@](c2c1[2H])(C)C(=O)CC3)[2H], 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-57765

 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)
 
 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/sfwavjvilkduqg-zfdxrjsusa-n/chmo0000593.3
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/sfwavjvilkduqg-zfdxrjsusa-n.5
title: (3aR,11bS)-11b-methyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-one-3a,8,9,10,11-d5
title: InChI=1S/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D

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/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D, and canonical SMILES descriptor[cheminf_000007]: [2H]c1c([2H])c([2H])c2-c3ccccc3[C@@]3([C@](c2c1[2H])(C)C(=O)CC3)[2H], 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-57768

 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)
 
 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/sfwavjvilkduqg-zfdxrjsusa-n/chmo0000593.4
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/sfwavjvilkduqg-zfdxrjsusa-n.6
title: (3aR,11bS)-11b-methyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-one-3a,8,9,10,11-d5
title: InChI=1S/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D

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/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D, and canonical SMILES descriptor[cheminf_000007]: [2H]c1c([2H])c([2H])c2-c3ccccc3[C@@]3([C@](c2c1[2H])(C)C(=O)CC3)[2H], 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-57771

 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)
 
 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/sfwavjvilkduqg-zfdxrjsusa-n/chmo0000593.5
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.15468/dl.27cqdj
title: Occurrence Download

description: A dataset containing 1490 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Nemipterus virgatus"
 ]
}

 The dataset includes 1490 records from 41 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005261-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/qjvjrwmlfuxgah-qapcuyqasa-n.1
title: (3aR,11bS)-10-Fluoro-11b-methyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-one
title: InChI=1S/C18H15FO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-7-6-11(19)10-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,18+/m1/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/C18H15FO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-7-6-11(19)10-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,18+/m1/s1, and canonical SMILES descriptor[cheminf_000007]: Fc1ccc2-c3ccccc3[C@@H]3[C@](c2c1)(C)C(=O)CC3, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-57408

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 95.0 (°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:0000498 | high-resolution mass spectrometry (HRMS)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0002136 | chiral stationary phase high-performance liquid chromatography (CSP HPLC)
 
 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/qjvjrwmlfuxgah-qapcuyqasa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C18H15FO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-7-6-11(19)10-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,18+/m1/s1

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/qjvjrwmlfuxgah-qapcuyqasa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C18H15FO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-7-6-11(19)10-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,18+/m1/s1

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/qjvjrwmlfuxgah-qapcuyqasa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H15FO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-7-6-11(19)10-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,18+/m1/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/qjvjrwmlfuxgah-qapcuyqasa-n/chmo0002136
title: chiral stationary phase high-performance liquid chromatography (CSP HPLC) ()
title: InChI=1S/C18H15FO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-7-6-11(19)10-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,18+/m1/s1

description: dataset for chiral stationary phase high-performance liquid chromatography (CSP HPLC)