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Substance Name: Fumarprotocetraric acid
RN: 489-50-9
UNII: 5VJ6J3A960
InChIKey: VEGGRTFDFMUBPD-ARJAWSKDSA-N

Molecular Formula

  • C22-H16-O12

Molecular Weight

  • 472.356
 
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Names and Synonyms

Name of Substance

  • Fumarprotocetraric acid

Synonyms

  • EINECS 207-698-8
  • NSC 249984
  • NSC 685588
  • UNII-5VJ6J3A960

Systematic Name

  • ((7-Carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo(b,e)(1,4)dioxepin-9-yl)methyl) hydrogen fumarate

Registry Numbers

CAS Registry Number

  • 489-50-9

FDA UNII

  • 5VJ6J3A960

System Generated Number

  • 0000489509

Structure Descriptors

InChI

1S/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)/b4-3-

InChIKey

VEGGRTFDFMUBPD-ARJAWSKDSA-N

Smiles

c12c(Oc3c(c(O)cc(c3C(O2)=O)C)C=O)c(C)c(c(c1COC(\C=C/C(=O)O)=O)O)C(=O)O