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Substance Name: Pabularinone
RN: 4889-31-0
UNII: A6C71BMQ2P
InChIKey: SVPDNNKLQWHTPC-UHFFFAOYSA-N

Molecular Formula

  • C16-H14-O5

Molecular Weight

  • 286.2816
 
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Names and Synonyms

Name of Substance

  • Pabularinone

Synonyms

  • 5-Benzofuranacrylic acid, 6-hydroxy-7-(3-methyl-2-oxobutoxy)-, delta-lactone
  • 9-(3-Methyl-2-oxobutoxy)-7H-furo(3,2-g)(1)benzopyran-7-one
  • Imperatorin oxide
  • Isoheraclenin
  • Isooxyimperatorin
  • Pabularinone
  • UNII-A6C71BMQ2P

Registry Numbers

CAS Registry Number

  • 4889-31-0

FDA UNII

  • A6C71BMQ2P

System Generated Number

  • 0004889310

Structure Descriptors

InChI

1S/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,9H,8H2,1-2H3

InChIKey

SVPDNNKLQWHTPC-UHFFFAOYSA-N

Smiles

CC(C)C(=O)COc1c2OC(=O)C=Cc2cc3ccoc13