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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > 17-oxo steroid > 3-(2-allyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime
... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 17-oxo steroid > 3-(2-allyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime

Preferred term

3-(2-allyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime  

Type

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

Broader concept

charge

  • 0

formula

  • C21H25NO3

has_parent_hydride

inchi

  • InChI=1S/C21H25NO3/c1-3-10-25-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22-24)20(21)23/h3,5,7,11,16-18,24H,1,4,6,8-10,12H2,2H3/t16-,17-,18+,21+/m1/s1

inchikey

  • YEDFYMKASYROKP-WIRSXHRWSA-N

mass

  • 339.429

monoisotopicmass

  • 339.18344

smiles

  • [C@]12([C@]3([C@@](C4=C(C=C(C=C4)OCC=C)CC3)(CC[C@]2(C)C(C(C1)=NO)=O)[H])[H])[H]

subset

  • 2_STAR

synonym EXACT

  • 3-(allyloxy)-16-(hydroxyimino)estra-1,3,5(10)-trien-17-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79537

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