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Supporting Information New 2-arylbenzofuran metabolite from cell cultures of Morus alba De-Wu Zhang a,b,# , Xiao-Yu Tao a,c,# , Li-Yan Yu b , Jun-Gui Dai a, * a State Key Laboratory of Bioactive Substance and Function of Natural Medicines; Key Laboratory of Biosynthesis of Natural Products of National Health and Family Planning Commission, Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing 100050, PR China b Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing 100050, PR China c School of Chinese Materia Medica, Beijing University of Chinese Medicine, Beijing 100102, PR China S1
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Page 1: s3-eu-west-1.amazonaws.com · Web viewSupporting Information New 2-arylbenzofuran metabolite from cell cultures of Morus alba De-Wu Zhang a,b,#, Xiao-Yu Tao a,c,#, Li-Yan Yu b, Jun-Gui

Supporting Information

New 2-arylbenzofuran metabolite from cell cultures of Morus alba

De-Wu Zhang a,b,#, Xiao-Yu Tao a,c,#, Li-Yan Yu b, Jun-Gui Dai a,*

a State Key Laboratory of Bioactive Substance and Function of Natural Medicines;

Key Laboratory of Biosynthesis of Natural Products of National Health and Family

Planning Commission, Institute of Materia Medica, Chinese Academy of Medical

Sciences & Peking Union Medical College, Beijing 100050, PR China

b Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences &

Peking Union Medical College, Beijing 100050, PR China

c School of Chinese Materia Medica, Beijing University of Chinese Medicine, Beijing

100102, PR China

* Corresponding author. Email: [email protected]

# These authors contributed equally to this work.

S1

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List of Contents

Figure S1. 1H NMR spectrum of compound 1……………………………...……….S3

Figure S2. 13C NMR spectrum of compound 1………………………………......….S4

Figure S3. DEPT spectrum of compound 1……………………………………...….S5

Figure S4. 1H–1H COSY spectrum of compound 1……………………...…….……S6

Figure S5. HSQC spectrum of compound 1…....………………………………...….S7

Figure S6. HMBC spectrum of compound 1………………………………...………S8

Figure S7. HRESIMS spectrum of compound 1……………………………...……..S9

Figure S8. HRESIMS spectral data of compound 1……………..…………………S10

Figure S9. IR spectrum of compound 1…………………………...…………..……S11

Figure S10. UV spectrum of compound 1………………………………………….S12

S2

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S3

Figure S1. 1H NMR spectrum of compound 1

Page 4: s3-eu-west-1.amazonaws.com · Web viewSupporting Information New 2-arylbenzofuran metabolite from cell cultures of Morus alba De-Wu Zhang a,b,#, Xiao-Yu Tao a,c,#, Li-Yan Yu b, Jun-Gui

S4

Figure S2. 13C NMR spectrum of compound 1

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S5

Figure S3. DEPT spectrum of compound 1

Page 6: s3-eu-west-1.amazonaws.com · Web viewSupporting Information New 2-arylbenzofuran metabolite from cell cultures of Morus alba De-Wu Zhang a,b,#, Xiao-Yu Tao a,c,#, Li-Yan Yu b, Jun-Gui

S6

Figure S4. 1H–1H COSY spectrum of compound 1

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S7

Figure S5. HSQC spectrum of compound 1

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S8

Figure S6. HMBC spectrum of compound 1

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Figure S7. HRMS spectrum of compound 1

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S10

Figure S8. HRMS spectral data of compound 1

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S11

Figure S9. IR spectrum of compound 1

Page 12: s3-eu-west-1.amazonaws.com · Web viewSupporting Information New 2-arylbenzofuran metabolite from cell cultures of Morus alba De-Wu Zhang a,b,#, Xiao-Yu Tao a,c,#, Li-Yan Yu b, Jun-Gui

S12

Figure S10. UV spectrum of compound 1


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