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Substance Name: Vermiculinic acid
RN: 146517-84-2
InChIKey: BXDWMBHVQJFBPQ-DYAGYSKXSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H24-O8

Molecular Weight

  • 392.402
 
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Names and Synonyms

Results Name

  • Vermiculinic acid

Synonyms

  • (S-(E,E,E))-4,9-Dioxo-6-carboxy-4-oxo-1-(2-oxopropyl)-5-hexenyl ester 2,7-decadienoic acid
  • BRN 5829476
  • CCRIS 6975
  • Vermiculinic acid

Systematic Names

  • (S-(E,E,E))-4,9-Dioxo-2,7-decadienoic acid,6-carboxy-4-oxo-1-(2-oxopropyl)-5-hexenyl ester
  • 2,7-Decadienoic acid, 4,9-dioxo-, 6-carboxy-4-oxo-1-(2-oxopropyl)-5-hexenyl ester, (S-(E,E,E))-

Registry Numbers

CAS Registry Number

  • 146517-84-2

System Generated Number

  • 0146517842

Structure Descriptors

InChI

1S/C20H24O8/c1-14(21)5-3-4-6-16(23)9-12-20(27)28-18(13-15(2)22)10-7-17(24)8-11-19(25)26/h3,5,8-9,11-12,18H,4,6-7,10,13H2,1-2H3,(H,25,26)/b5-3+,11-8+,12-9+/t18-/m0/s1

InChIKey

BXDWMBHVQJFBPQ-DYAGYSKXSA-N

Smiles

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