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Concept information

Preferred term

1-o-(4-oxoretinoyl)-beta-d-glucuronate  

Type

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

charge

  • -1

formula

  • C26H33O9

inchi

  • InChI=1S/C26H34O9/c1-14(9-10-17-16(3)18(27)11-12-26(17,4)5)7-6-8-15(2)13-19(28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-10,13,20-23,25,29-31H,11-12H2,1-5H3,(H,32,33)/p-1/b8-6+,10-9+,14-7+,15-13+/t20-,21-,22+,23-,25+/m0/s1

inchikey

  • SIKFAVWPHMSCBL-QKLNHPSXSA-M

mass

  • 489.536

monoisotopicmass

  • 489.21301

smiles

  • C=1(C(CCC(C1C)=O)(C)C)/C=C/C(=C/C=C/C(=C/C(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)=O)/C)/C

subset

  • 3_STAR

synonym EXACT

  • 1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]-beta-D-glucopyranuronate
  • O(15)-[(2S,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxyoxan-2-yl]-4-oxoretinoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:139185

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