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Substance Name: WF 3681
RN: 105364-56-5
InChIKey: PPZVSYXNLXFYAD-UHFFFAOYSA-N

Note

  • From Chaetomella raphigera.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C13-H12-O5

Molecular Weight

  • 248.233
 
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Names and Synonyms

Name of Substance

  • WF 3681

Synonyms

  • (+-)-2,5-Dihydro-4-hydroxy-5-oxo-3-phenyl-2-furanpropanoic acid
  • (+-)-WS 3681
  • WF 3681

Systematic Name

  • 2-Furanpropanoic acid, 2,5-dihydro-4-hydroxy-5-oxo-3-phenyl-, (+-)-

Registry Numbers

CAS Registry Number

  • 105364-56-5

System Generated Number

  • 0105364565

Structure Descriptors

InChI

1S/C13H12O5/c14-10(15)7-6-9-11(12(16)13(17)18-9)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2,(H,14,15)

InChIKey

PPZVSYXNLXFYAD-UHFFFAOYSA-N

Smiles

O1[C@@H](C(=C(C1=O)O)c1ccccc1)CCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 750mg/kg (750mg/kg)   Journal of Antibiotics. Vol. 40, Pg. 1394, 1987.