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Concept information

Preferred term

4-Hydroxy-17beta-Ostradiol 4-(Beta-d-glucuronide) (1-)  

Type

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

charge

  • -1

formula

  • C24H31O9

inchi

  • InChI=1S/C24H32O9/c1-24-9-8-11-10-4-6-15(25)20(13(10)3-2-12(11)14(24)5-7-16(24)26)32-23-19(29)17(27)18(28)21(33-23)22(30)31/h4,6,11-12,14,16-19,21,23,25-29H,2-3,5,7-9H2,1H3,(H,30,31)/p-1/t11-,12-,14+,16+,17+,18+,19-,21+,23-,24+/m1/s1

inchikey

  • YQYZVYZSWJLJHS-WJXPAFDLSA-M

mass

  • 463.498

monoisotopicmass

  • 463.19736

smiles

  • C1=C2[C@]3(CC[C@]4([C@]([C@@]3(CCC2=C(C(=C1)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)[H])(CC[C@@H]4O)[H])C)[H]

subset

  • 3_STAR

synonym EXACT

  • 3,17beta-dihydroxyestra-1(10),2,4-trien-4-yl beta-D-glucopyranosiduronate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:136937

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