{"data":{"id":"10.6084/m9.figshare.c.2092517.v1","type":"dois","attributes":{"doi":"10.6084/m9.figshare.c.2092517.v1","prefix":"10.6084","suffix":"m9.figshare.c.2092517.v1","identifiers":[],"alternateIdentifiers":[],"creators":[{"name":"Jiang, Zhe","givenName":"Zhe","familyName":"Jiang","affiliation":[],"nameIdentifiers":[]},{"name":"Liu, Fang","givenName":"Fang","familyName":"Liu","affiliation":[],"nameIdentifiers":[]},{"name":"Zhong, Aijiao","givenName":"Aijiao","familyName":"Zhong","affiliation":[],"nameIdentifiers":[]},{"name":"Dugu, Jiaxiu","givenName":"Jiaxiu","familyName":"Dugu","affiliation":[],"nameIdentifiers":[]},{"name":"Li, Xuezheng","givenName":"Xuezheng","familyName":"Li","affiliation":[],"nameIdentifiers":[]}],"titles":[{"title":"Determination of a new chromone from \u003ci\u003eAurantii Fructus Immaturus by\u003c/i\u003e DFT/GIAO method"}],"publisher":"Taylor \u0026 Francis","container":{},"publicationYear":2015,"subjects":[{"subject":"Science Policy"},{"subject":"Developmental Biology"},{"subject":"Biological Sciences"},{"subject":"Immunology"},{"subject":"FOS: Clinical medicine","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Sociology"},{"subject":"FOS: Sociology","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Ecology"},{"subject":"FOS: Biological sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Chemistry"},{"subject":"Cell Biology"},{"subject":"Biochemistry"},{"subject":"Biophysics"}],"contributors":[],"dates":[{"date":"2015-12-05","dateType":"Created"},{"date":"2019-08-19","dateType":"Updated"},{"date":"2015","dateType":"Issued"}],"language":null,"types":{"ris":"GEN","bibtex":"misc","citeproc":"article","schemaOrg":"Collection","resourceType":"Collection","resourceTypeGeneral":"Collection"},"relatedIdentifiers":[{"relationType":"IsIdenticalTo","relatedIdentifier":"10.6084/m9.figshare.c.2092517","relatedIdentifierType":"DOI"}],"relatedItems":[],"sizes":[],"formats":[],"version":null,"rightsList":[{"rights":"Creative Commons Attribution 4.0 International","rightsUri":"https://creativecommons.org/licenses/by/4.0/legalcode","schemeUri":"https://spdx.org/licenses/","rightsIdentifier":"cc-by-4.0","rightsIdentifierScheme":"SPDX"}],"descriptions":[{"description":"Investigation of EtOAc fraction from the 95% ethanol extract of \u003ci\u003eAurantii Fructus\u003c/i\u003e\u003ci\u003eImmaturus\u003c/i\u003e led to the isolation of one new chromone (\u003cb\u003e1\u003c/b\u003e) and seven known flavonoids (\u003cb\u003e2\u003c/b\u003e–\u003cb\u003e8\u003c/b\u003e). 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 \u003cb\u003e1\u003c/b\u003e was defined by comparison of \u003csup\u003e13\u003c/sup\u003eC NMR data calculated by DFT/GIAO with those of experimental NMR 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