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Concept information

Preferred term

astropyrone  

Type

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

Broader concept

charge

  • 0

formula

  • C19H22O5

inchi

  • InChI=1S/C19H22O5/c1-4-6-12(9-20)15-11-22-18(21)14-8-16-13(7-5-2)10-23-19(16,3)24-17(14)15/h5-7,9,11,13,16H,4,8,10H2,1-3H3/b7-5+,12-6-/t13-,16+,19+/m0/s1

inchikey

  • XCCRIMCUROIIKJ-VEOLBBLCSA-N

mass

  • 330.380

monoisotopicmass

  • 330.14672

smiles

  • O=C1OC=C(/C(/C=O)=C/CC)C2=C1C[C@@H]3[C@@H](/C=C/C)CO[C@@]3(O2)C

subset

  • 2_STAR

synonym EXACT

  • 6-[(E)-4,5-dihydroxyhex-2-en-2-yl]-4-methoxy-3-methylpyran-2-one
  • (E)-2-[(3R,6R,7R)-3-methyl-10-oxo-6-[(E)-prop-1-enyl]-2,4,11-trioxatricyclo[7.4.0.03,7]trideca-1(9),12-dien-13-yl]pent-2-enal

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200166

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