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Substance Name: Petasiphenone
RN: 162616-81-1
UNII: 80JLG0ZRHZ
InChIKey: DPMVCMFEBYVTFB-QHHAFSJGSA-N

Note

  • From Cimicifuga racemosa.

Molecular Formula

  • C17-H14-O7

Molecular Weight

  • 330.2906
 
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Names and Synonyms

Name of Substance

  • Petasiphenone

Synonyms

  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester, (2E)-
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester, (E)-
  • 3,4-Dihydroxy-phenacyl caffeate
  • Petasiphenone
  • UNII-80JLG0ZRHZ

Registry Numbers

CAS Registry Number

  • 162616-81-1

FDA UNII

  • 80JLG0ZRHZ

System Generated Number

  • 0162616811

Structure Descriptors

InChI

1S/C17H14O7/c18-12-4-1-10(7-14(12)20)2-6-17(23)24-9-16(22)11-3-5-13(19)15(21)8-11/h1-8,18-21H,9H2/b6-2+

InChIKey

DPMVCMFEBYVTFB-QHHAFSJGSA-N

Smiles

c1cc(c(cc1/C=C/C(=O)OCC(=O)c2ccc(c(c2)O)O)O)O