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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > monocarboxylic acid anion > 4-hydroxyestrone 3-o-(beta-d-glucuronide)(1-)

Preferred term

4-hydroxyestrone 3-o-(beta-d-glucuronide)(1-)  

Type

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

charge

  • -1

formula

  • C24H29O9

inchi

  • InChI=1S/C24H30O9/c1-24-9-8-11-10-4-6-15(32-23-20(29)18(27)19(28)21(33-23)22(30)31)17(26)13(10)3-2-12(11)14(24)5-7-16(24)25/h4,6,11-12,14,18-21,23,26-29H,2-3,5,7-9H2,1H3,(H,30,31)/p-1/t11-,12-,14+,18+,19+,20-,21+,23-,24+/m1/s1

inchikey

  • QAOFTFHHOWYCDI-WOKPNQEWSA-M

mass

  • 461.483

monoisotopicmass

  • 461.18171

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)O)O)C=C4)O)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H]

subset

  • 3_STAR

synonym EXACT

  • 4-hydroxy-17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:136969

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