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Data · collection · 2015

Determination of a new chromone from Aurantii Fructus Immaturus by DFT/GIAO method

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Investigation of EtOAc fraction from the 95% ethanol extract of Aurantii Fructus Immaturus led to the isolation of one new chromone ( 1 ) and seven known flavonoids ( 2 – 8 ).

Description

Their structures were elucidated mainly by NMR and HR-ESI-MS, as well as on comparison with the reported NMR data. The final substituent pattern of 1 was defined by comparison of 13 C NMR data calculated by DFT/GIAO with those of experimental NMR data.

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Catalogue records · 4

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Stated by source
Biological sciences · Biological sciences · Clinical medicine · Clinical medicine · Sociology · Sociology
From keywords
Chemistry · Chemistry · Immunology · Life Sciences · Life Sciences · Research, science and technology policy · Social Science · Social Science · Sociology
Inferred from text
Density functional theory 65%
Provenance · 2 source records, 20 field assertions
SourceKeyLast seenRaw
DataCite10.6084/m9.figshare.c.209251715 d agoJSON v1
DataCite10.6084/m9.figshare.c.2092517.v115 d agoJSON v1
FieldAssertionExtractorEvidence
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concepts[field].fos:biological-sciencessource · DataCiteconnector:datacite@1.0.0
concepts[field].fos:biological-sciencessource · DataCiteconnector:datacite@1.0.0
concepts[field].fos:clinical-medicinesource · DataCiteconnector:datacite@1.0.0
concepts[field].fos:clinical-medicinesource · DataCiteconnector:datacite@1.0.0
concepts[field].fos:sociologysource · DataCiteconnector:datacite@1.0.0
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concepts[field].local:field:chemistrymapping · DataCitevocabulary-mapper@1.0.0keywords['Chemistry']
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concepts[field].local:field:life-sciencesmapping · DataCitevocabulary-mapper@1.0.0keywords['Biological Sciences']
concepts[field].local:field:social-sciencemapping · DataCitevocabulary-mapper@1.0.0keywords['Sociology']
concepts[field].local:field:social-sciencemapping · DataCitevocabulary-mapper@1.0.0keywords['Sociology']
concepts[method].local:method:dftenrichment · DataCitekeyword-concept-rules@1.0.0title+description (65%)
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