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Substance Name: Coronafacic acid
RN: 62251-98-3
InChIKey: ONMAUQRMJXNSCG-VGMNWLOBSA-N

Note

  • A polyketide that is coupled to coronamic acid by coronafacate ligase to form coronatine.

Molecular Formula

  • C12-H16-O3

Molecular Weight

  • 208.255
 
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Names and Synonyms

Name of Substance

  • Coronafacic acid

Synonym

  • 6-Ethyl-2,3,3aS,6R,7,7aS-hexahydro-1-oxo-1H-indene-4-Carboxylic acid

Systematic Names

  • 1H-Indene-4-Carboxylic acid, 6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-, (3aS,6R,7aS)-
  • 1H-Indene-4-Carboxylic acid, 6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-, (3aS-(3alpha,6beta,7aalpha))-

Registry Numbers

CAS Registry Number

  • 62251-98-3

System Generated Number

  • 0062251983

Structure Descriptors

InChI

1S/C12H16O3/c1-2-7-5-9-8(3-4-11(9)13)10(6-7)12(14)15/h6-9H,2-5H2,1H3,(H,14,15)/t7-,8+,9+/m1/s1

InChIKey

ONMAUQRMJXNSCG-VGMNWLOBSA-N

Smiles

C=1[C@H](CC)C[C@@H]2C(CC[C@H]2C1C(=O)O)=O