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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > penicillospirone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > penicillospirone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > penicillospirone

Preferred term

penicillospirone  

Type

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

Broader concept

charge

  • 0

formula

  • C13H16O5

inchi

  • InChI=1S/C13H16O5/c1-3-4-8-5-6-9(14)11(16)13(8)10(15)7(2)18-12(13)17/h3-8,10-11,15-16H,1-2H3/b4-3+/t7-,8-,10+,11+,13+/m1/s1

inchikey

  • KRDUCTYOAPQUHL-MDJBZBTRSA-N

mass

  • 252.266

monoisotopicmass

  • 252.09977

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (3R,4R,5S,6R,10R)-4,6-dihydroxy-3-methyl-10-[(E)-prop-1-enyl]-2-oxaspiro[4.5]dec-8-ene-1,7-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206591

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