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Concept information

Preferred term

1-o-(5,6-epoxyretinoyl)-beta-d-glucuronate  

Type

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

charge

  • -1

formula

  • C26H35O9

inchi

  • InChI=1S/C26H36O9/c1-15(10-13-26-24(3,4)11-7-12-25(26,5)35-26)8-6-9-16(2)14-17(27)33-23-20(30)18(28)19(29)21(34-23)22(31)32/h6,8-10,13-14,18-21,23,28-30H,7,11-12H2,1-5H3,(H,31,32)/p-1/b9-6+,13-10+,15-8+,16-14+/t18-,19-,20+,21-,23+,25?,26?/m0/s1

inchikey

  • BZPOQLONXBJGAZ-WSPRJJCZSA-M

mass

  • 491.552

monoisotopicmass

  • 491.22866

smiles

  • C12(C(CCCC1(C)O2)(C)C)/C=C/C(=C/C=C/C(=C/C(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)=O)/C)/C

subset

  • 3_STAR

synonym EXACT

  • 1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraenoyl]-beta-D-glucopyranuronate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:139184

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