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Substance Name: Asperugin B
RN: 14522-05-5
InChIKey: UDBSZUYIWDXRKO-XURGJTJWSA-N

Note

  • Metabolite of Aspergillus rugulosus.

Molecular Formula

  • C23-H30-O5

Molecular Weight

  • 386.485
 
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Names and Synonyms

Name of Substance

  • Asperugin B

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 14522-05-5

System Generated Number

  • 0014522055

Structure Descriptors

InChI

1S/C23H30O5/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-28-23-21(26)13-19(14-24)20(15-25)22(23)27/h7,9,11,13-15,26-27H,5-6,8,10,12H2,1-4H3/b17-9+,18-11+

InChIKey

UDBSZUYIWDXRKO-XURGJTJWSA-N

Smiles

CC(=CCC/C(=C/CC/C(=C/COc1c(cc(c(c1O)C=O)C=O)O)/C)/C)C