{"dcterms:modified":"2025-06-06","dcterms:creator":"A Dataverse Instance","@type":"ore:ResourceMap","@id":"https://data.fz-juelich.de/api/datasets/export?exporter=OAI_ORE&persistentId=doi:10.26165/JUELICH-DATA/QTS90W","ore:describes":{"Title":"A Sustainable Method for Potato Side Stream Valorisation to Obtain Steroidal Glycoalkaloids within a Bioeconomy Approach","fzj:Institute":"IBG-1","fzj:PoF IV topic":["Biological and environmental resources for sustainable use (POF4-2171)","Utilization of renewable carbon and energy sources and engineering of ecosystem functions (POF4-2172)"],"Author":[{"author:Name":"Stadler, Nina","author:Affiliation":"Heinrich Heine University","Identifier Scheme":"ORCID","Identifier":"https://orcid.org/0000-0003-2409-8447"},{"author:Name":"Henßen, Birgit","author:Affiliation":"Heinrich Heine University; Forschungszentrum Jülich GmbH"},{"author:Name":"Pietruzska, Jörg","author:Affiliation":"Heinrich Heine University; Forschungszentrum Jülich GmbH","Identifier Scheme":"ORCID","Identifier":"https://orcid.org/0000-0002-9819-889X"},{"author:Name":"Classen, Thomas","author:Affiliation":"Forschungszentrum Jülich GmbH","Identifier Scheme":"ORCID","Identifier":"https://orcid.org/0000-0002-3259-964X"}],"citation:Contact":{"datasetContact:Name":"Classen, Thomas","datasetContact:Affiliation":"Forschungszentrum Jülich GmbH","datasetContact:E-mail":"t.classen@fz-juelich.de"},"citation:Description":{"dsDescription:Text":"<b>Chromatographic</b> and spectral information for <b>solanine</b>, <b>solanidine</b>, <b>chaconine</b>, and <b>derivatives</b> therefrom are available. Solanine has been extracted from berries, leaves, or flowers from <i>Solanum tuberosum</i> L.\r\nThe compounds are listed in the end of this text and are available as CSV-file within the dataset. The spectra include <b>MS-spectrometry</b> and <b>NMR</b>-spectra (1H and 13C, and partially DEPT, HSQC, COSY, HMBC for signal assignments). Furthermore, chromatograms were used for quantification and quantitative NMR (<b>qNMR</b>)spectra are reported for the hydrolyses and final products. Experimental procedures can be found in the associated publication.\r\n\r\n<i>name according to publication; internal code; SMILE</i>\r\n<b>solanidine; NST215_3</b>; O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@]5([H])C(N(C[C@@H](C)CC6)C6[C@H]5C)C[C@@]4([H])[C@]3([H])CC=C2C1\r\n<b>solanine; NA; </b>; OC[C@H]1O[C@H]([C@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C)[C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)[C@H]1O)O[C@H]4CC[C@@]5(C)C(C4)=CC[C@@H]6[C@@H]5CC[C@@]7(C)[C@H]6C[C@H]8[C@@H]7[C@@H]([C@@H]9N8C[C@@H](C)CC9)C\r\n\r\n<b>chaconine; NA</b>; OC[C@H]([C@@H](O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(O)[C@H]2O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O[C@H]2O[C@H]4CC[C@]5(C)[C@@]6([H])CC[C@]7(C)[C@@]([C@]8([H])CC7[C@]6([H])CC=C5C4)([H])[C@H](C)[C@]9([H])N8C[C@@H](C)CC9\r\n\r\n<b>Compound_2; NST091_7</b>; [H][C@]1(OC(CC[C@@H](C)CO)[C@H]2C)C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H])OC(C)=O\r\n\r\n<b>Compound_3; NST110_17</b>; [H][C@]1(OC(CC[C@@H](C)C(O)=O)[C@H]2C)C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H])OC(C)=O\r\n\r\n<b>Compound_4; NST116_14</b>; [H][C@]1([C@@H]([C@H]2CC[C@@H](C)C(O2)=O)C)[C@H](I)C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C)OC(C)=O\r\n\r\n<b>Compound_5; NST123_11</b>; O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H]([C@H]5CC[C@H](C)C(O5)=O)C)[C@@H](N=[N+]=[N-])C[C@@]4([H])[C@]3([H])CC=C2C1\r\n\r\n<b>Compound_6; NST183_8</b>; O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@]5([H])C(N=C(CC[C@H](C)C(OC)=O)[C@H]5C)C[C@@]4([H])[C@]3([H])CC=C2C1\r\n\r\n<b>Compound_7; NST087_7</b>; [H][C@]1(O[C@@]2(OC[C@H](C)CC2)[C@H]3C)C[C@@]4([H])[C@]5([H])CC=C6C[C@H](CC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@]13[H])OC(C)=O\r\n\r\n<b>Compound_8; NST109_13</b>; [H][C@]1(OC(CC[C@@H](C)C=O)[C@H]2C)C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@]12[H])OC(C)=O\r\n\r\n<b>Compound_9; NST122_12</b>; [H][C@]1([C@@H]([C@H]2CC[C@@H](C)C(O2)=O)C)[C@@H](N=[N+]=[N-])C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C)OC(C)=O\r\n\r\n<b>Compound_10; NST214_7</b>; O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@]5([H])C(N(C([C@@H](C)CC6)=O)C6[C@H]5C)C[C@@]4([H])[C@]3([H])CC=C2C1","dsDescription:Date":"2025-06-05"},"Subject":"Chemistry","citation:Keyword":[{"keyword:Term":"natural compound"},{"keyword:Term":"alkaloid"},{"keyword:Term":"steroid"},{"keyword:Term":"nuclear magnetic resonance spectroscopy"},{"keyword:Term":"NMR"},{"keyword:Term":"quantitative NMR"},{"keyword:Term":"qNMR"},{"keyword:Term":"mass spectrometry"},{"keyword:Term":"MS"},{"keyword:Term":"chromatography"},{"keyword:Term":"Solanum tuberosum"}],"citation:Depositor":"Classen, Thomas","Deposit Date":"2025-06-05","@id":"doi:10.26165/JUELICH-DATA/QTS90W","@type":["ore:Aggregation","schema:Dataset"],"schema:version":"1.0","schema:datePublished":"2025-06-06","schema:name":"A Sustainable Method for Potato Side Stream Valorisation to Obtain Steroidal Glycoalkaloids within a Bioeconomy Approach","schema:dateModified":"2025-06-06 07:10:44.727","dvcore:fileTermsOfAccess":{"dvcore:fileRequestAccess":false},"schema:includedInDataCatalog":"Institute of Bio- and Geosciences – Biotechnology (IBG-1)","ore:aggregates":[{"schema:name":"01_Compound_Declaration-1.csv","dvcore:restricted":false,"schema:version":1,"dvcore:datasetVersionId":844,"@id":"https://data.fz-juelich.de/file.xhtml?fileId=29645","schema:sameAs":"https://data.fz-juelich.de/api/access/datafile/29645","@type":"ore:AggregatedResource","schema:fileFormat":"text/csv","dvcore:filesize":4903,"dvcore:storageIdentifier":"s3://juelich_data:19740b44b5b-42721f2471b6","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"SHA-256","@value":"7420b6b6ea49e7abdb391fb366571e456648969916e0058666fd44d5311ebe46"}},{"schema:name":"02_Sample_Declaration-1.csv","dvcore:restricted":false,"schema:version":1,"dvcore:datasetVersionId":844,"@id":"https://data.fz-juelich.de/file.xhtml?fileId=29644","schema:sameAs":"https://data.fz-juelich.de/api/access/datafile/29644","@type":"ore:AggregatedResource","schema:fileFormat":"text/csv","dvcore:filesize":6887,"dvcore:storageIdentifier":"s3://juelich_data:19740b44d6f-fa1b8921571e","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"SHA-256","@value":"319b6488cbf9180db4cf23c8b090eb5fe1d1c5636add536ca062019a7ea17da1"}},{"schema:name":"NST_rawdata.zip","dvcore:restricted":false,"schema:version":1,"dvcore:datasetVersionId":844,"@id":"https://data.fz-juelich.de/file.xhtml?fileId=29643","schema:sameAs":"https://data.fz-juelich.de/api/access/datafile/29643","@type":"ore:AggregatedResource","schema:fileFormat":"application/zip","dvcore:filesize":397030857,"dvcore:storageIdentifier":"s3://juelich_data:19740b08508-d5003332ca69","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"SHA-256","@value":"b0fdc2a577edf92c6298fdc73567c2099af902ac542789c502580cb95aad7017"}}],"schema:hasPart":["https://data.fz-juelich.de/file.xhtml?fileId=29645","https://data.fz-juelich.de/file.xhtml?fileId=29644","https://data.fz-juelich.de/file.xhtml?fileId=29643"]},"@context":{"Author":"http://purl.org/dc/terms/creator","Deposit Date":"http://purl.org/dc/terms/dateSubmitted","Identifier":"http://purl.org/spar/datacite/AgentIdentifier","Identifier Scheme":"http://purl.org/spar/datacite/AgentIdentifierScheme","Subject":"http://purl.org/dc/terms/subject","Title":"http://purl.org/dc/terms/title","author":"https://dataverse.org/schema/citation/author#","citation":"https://dataverse.org/schema/citation/","datasetContact":"https://dataverse.org/schema/citation/datasetContact#","dcterms":"http://purl.org/dc/terms/","dsDescription":"https://dataverse.org/schema/citation/dsDescription#","dvcore":"https://dataverse.org/schema/core#","fzj":"https://jugit.fz-juelich.de/fdm/schemas","keyword":"https://dataverse.org/schema/citation/keyword#","ore":"http://www.openarchives.org/ore/terms/","schema":"http://schema.org/"}}