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Substance Name: Asperugin
RN: 2102-72-9
InChIKey: HWVGIDRLIKEBPS-UBIAKTOFSA-N

Note

  • Metabolite of Aspergillus rugulosus.

Molecular Weight

  • 400.512
 
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Names and Synonyms

Name of Substance

  • Asperugin

Systematic Name

  • 1,2-Benzenedicarboxaldehyde, 3-hydroxy-5-methoxy-4-((3,7,11-trimethyl-2,6,10-dodecatrienyl)oxy)-, (E,E)-

Registry Numbers

CAS Registry Number

  • 2102-72-9

System Generated Number

  • 0002102729

Structure Descriptors

InChI

1S/C24H32O5/c1-17(2)8-6-9-18(3)10-7-11-19(4)12-13-29-24-22(28-5)14-20(15-25)21(16-26)23(24)27/h8,10,12,14-16,27H,6-7,9,11,13H2,1-5H3/b18-10+,19-12+

InChIKey

HWVGIDRLIKEBPS-UBIAKTOFSA-N

Smiles

c1(c(c(c(c(c1)OC)OC\C=C(\CC\C=C(\CC\C=C(\C)C)C)C)O)C=O)C=O