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Concept information

Preferred term

4-methoxyestrone 3-o- (بتا- d-glucuronide) (1-)  

Type

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

charge

  • -1

formula

  • C25H31O9

inchi

  • InChI=1S/C25H32O9/c1-25-10-9-12-11-5-7-16(33-24-20(29)18(27)19(28)22(34-24)23(30)31)21(32-2)14(11)4-3-13(12)15(25)6-8-17(25)26/h5,7,12-13,15,18-20,22,24,27-29H,3-4,6,8-10H2,1-2H3,(H,30,31)/p-1/t12-,13-,15+,18+,19+,20-,22+,24-,25+/m1/s1

inchikey

  • ULHTYWWLVUWDHV-RQKNUILLSA-M

mass

  • 475.509

monoisotopicmass

  • 475.19736

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

subset

  • 3_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:136973

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