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Concept information

Preferred term

11 آلفا هیدروکسی پروژسترون گلوکوزیدورونیک اسید  

Type

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

charge

  • 0

formula

  • C27H38O9

inchi

  • InChI=1S/C27H38O9/c1-12(28)16-6-7-17-15-5-4-13-10-14(29)8-9-26(13,2)19(15)18(11-27(16,17)3)35-25-22(32)20(30)21(31)23(36-25)24(33)34/h10,15-23,25,30-32H,4-9,11H2,1-3H3,(H,33,34)/t15-,16+,17-,18+,19+,20-,21-,22+,23-,25+,26-,27+/m0/s1

inchikey

  • WVTMNZAPPOMZST-RKCIHFDFSA-N

mass

  • 506.58520

monoisotopicmass

  • 506.25158

smiles

  • [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](C[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • 3,20-dioxopregn-4-en-11alpha-yl beta-D-glucopyranosiduronic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:62672

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