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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > 3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
organooxygen compound > carbonyl compound > ketone > cyclic ketone > 3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione

Preferred term

3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione  

Type

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

charge

  • 0

formula

  • C19H24O3

inchi

  • InChI=1S/C19H24O3/c1-12-3-5-14(20)11-13(12)4-6-15-16-7-8-18(22)19(16,2)10-9-17(15)21/h3,5,11,15-16,20H,4,6-10H2,1-2H3/t15?,16-,19-/m0/s1

inchikey

  • ZWXONJFCJAGEBA-RRSHCKCTSA-N

mass

  • 300.39210

monoisotopicmass

  • 300.17254

smiles

  • [H][C@@]12CCC(=O)[C@@]1(C)CCC(=O)C2CCc1cc(O)ccc1C

subset

  • 3_STAR

synonym EXACT

  • 3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
  • (8xi)-3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:63245

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