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Substance Name: Spinulosin
RN: 85-23-4
UNII: 17WG1DAS77
InChIKey: GFAZBXKENDSJEB-UHFFFAOYSA-N

Note

  • Aspergillus fumigatus metabolite.

Molecular Weight

  • 184.146
 
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Names and Synonyms

Name of Substance

  • Spinulosin

Synonym

  • UNII-17WG1DAS77

Systematic Name

  • 2,5-Dihydroxy-3-methoxy-6-methyl-2,5-cyclohexadiene-1,4-dione

Registry Numbers

CAS Registry Number

  • 85-23-4

FDA UNII

  • 17WG1DAS77

System Generated Number

  • 0000085234

Structure Descriptors

InChI

1S/C8H8O5/c1-3-4(9)6(11)8(13-2)7(12)5(3)10/h9,12H,1-2H3

InChIKey

GFAZBXKENDSJEB-UHFFFAOYSA-N

Smiles

C1(=C(C(=O)C(=C(C1=O)O)C)O)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 202.5 deg C   EXP
log P (octanol-water) 0.500 (none)   EST
Atmospheric OH Rate Constant 3.22E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.