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Substance Name: Senecic acid
RN: 13588-16-4
UNII: AXN0570QIE
InChIKey: CEYWPVCZMDVGLZ-BEPFRFAYSA-N

Note

  • Occur as diesters of pyrrolizidine bases in alkaloids.

Molecular Formula

  • C10-H16-O5

Molecular Weight

  • 216.231
 
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Names and Synonyms

Name of Substance

  • Necic acid
  • Senecic acid

Synonym

  • UNII-AXN0570QIE

Systematic Name

  • Hexanedioic acid, 5-ethylidene-2-hydroxy-2,3-dimethyl-, (R-(R*,R*-(Z)))-

Registry Numbers

CAS Registry Number

  • 13588-16-4

FDA UNII

  • AXN0570QIE

System Generated Number

  • 0013588164

Structure Descriptors

InChI

1S/C10H16O5/c1-4-7(8(11)12)5-6(2)10(3,15)9(13)14/h4,6,15H,5H2,1-3H3,(H,11,12)(H,13,14)/b7-4-/t6-,10-/m1/s1

InChIKey

CEYWPVCZMDVGLZ-BEPFRFAYSA-N

Smiles

C([C@@]([C@@H](C\C(C(=O)O)=C\C)C)(C)O)(=O)O