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Chemistry, part 2

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > phomopsone a
... > 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 > phomopsone a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > phomopsone a

Preferred term

phomopsone a  

Type

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

Broader concept

charge

  • 0

formula

  • C17H22O5

inchi

  • InChI=1S/C17H22O5/c1-5-9(2)15(19)16(20)14-12-8-22-10(3)6-11(12)7-13(18)17(14,4)21/h6-9,14-15,19,21H,5H2,1-4H3/t9-,14+,15+,17+/m0/s1

inchikey

  • NCIKUWUARZFWEF-WFQKOJPZSA-N

mass

  • 306.358

monoisotopicmass

  • 306.14672

smiles

  • O=C1C=C2C(=COC(=C2)C)[C@@H]([C@@]1(O)C)C(=O)[C@H](O)[C@H](CC)C

subset

  • 2_STAR

synonym EXACT

  • (7S,8S)-7-hydroxy-8-[(2R,3S)-2-hydroxy-3-methylpentanoyl]-3,7-dimethyl-8H-isochromen-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213983

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