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Concept information

Preferred term

hydroxyestrone diacetate  

Type

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

Broader concept

charge

  • 0

formula

  • C22H26O5

inchi

  • InChI=1S/C22H26O5/c1-12(23)26-15-5-7-16-14(10-15)4-6-18-17(16)8-9-22(3)19(18)11-20(21(22)25)27-13(2)24/h5,7,10,17-20H,4,6,8-9,11H2,1-3H3/t17-,18-,19+,20-,22+/m1/s1

inchikey

  • QZQSENRWYLQIPC-JPVHLGFFSA-N

mass

  • 370.440

monoisotopicmass

  • 370.17802

smiles

  • C[C@@]12[C@]([C@]3([C@](CC1)(C4=C(CC3)C=C(C=C4)OC(C)=O)[H])[H])(C[C@H](C2=O)OC(C)=O)[H]

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:135562

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