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Concept information

Preferred term

estriol 16-o-(beta-d-glucuronide)(1-)  

Type

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

charge

  • -1

formula

  • C24H31O9

inchi

  • InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/p-1/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1

inchikey

  • FQYGGFDZJFIDPU-JRSYHJKYSA-M

mass

  • 463.498

monoisotopicmass

  • 463.19736

smiles

  • C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)CC3)(CC[C@@]2([C@@H](O)[C@@H]1O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)C)[H])[H])[H]

subset

  • 3_STAR

synonym EXACT

  • 3,17beta-dihydroxyestra-1,3,5(10)-trien-16alpha-yl beta-D-glucopyranosiduronate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:136650

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