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Concept information

Preferred term

estrone 3-o-(3-sulfo-beta-d-glucuronide)(2-)  

Type

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

charge

  • -2

formula

  • C24H28O11S

inchi

  • InChI=1S/C24H30O11S/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)33-23-19(27)20(35-36(30,31)32)18(26)21(34-23)22(28)29/h3,5,10,14-16,18-21,23,26-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/p-2/t14-,15-,16+,18+,19-,20+,21+,23-,24+/m1/s1

inchikey

  • OHNDSIZOMMVECR-NFMHSUPCSA-L

mass

  • 524.540

monoisotopicmass

  • 524.13633

smiles

  • C1[C@]2([C@]3([C@@](C4=C(C=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)OS([O-])(=O)=O)O)C=C4)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H]

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178101

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