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Concept information

Preferred term

testosterone 17-o-(3-sulfo-beta-d-glucuronide)(2-)  

Type

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

charge

  • -2

formula

  • C25H34O11S

inchi

  • InChI=1S/C25H36O11S/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)34-23-19(28)20(36-37(31,32)33)18(27)21(35-23)22(29)30/h11,14-21,23,27-28H,3-10H2,1-2H3,(H,29,30)(H,31,32,33)/p-2/t14-,15-,16-,17-,18-,19+,20-,21-,23+,24-,25-/m0/s1

inchikey

  • XVWRVYDYWWOOTO-PXSSYGRGSA-L

mass

  • 542.600

monoisotopicmass

  • 542.18328

smiles

  • [C@@]12([C@@]([C@@]3(C(CC1)=CC(CC3)=O)C)(CC[C@]4(C)[C@H](CC[C@@]24[H])O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)OS([O-])(=O)=O)O)C([O-])=O)[H])[H]

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178104

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