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Concept information

organooxygen compound > edulone a

Preferred term

edulone a  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C22H22O8

inchi

  • InChI=1S/C22H22O8/c1-8(7-29-10(3)23)12-16(24)13-15(19(27)17(12)25)22(4)6-5-11-9(2)21(28)30-20(14(11)22)18(13)26/h8,24-25,27H,5-7H2,1-4H3

inchikey

  • MLTCCXPBXYMUMQ-UHFFFAOYSA-N

mass

  • 414.410

monoisotopicmass

  • 414.13147

smiles

  • O1C2=C3C(CCC3=C(C1=O)C)(C4=C(C2=O)C(O)=C(C(O)=C4O)C(COC(=O)C)C)C

subset

  • 2_STAR

synonym EXACT

  • 2-(3,4,6-trihydroxy-1,12-dimethyl-8,11-dioxo-10-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),12-pentaen-5-yl)propyl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176039

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