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Concept information

Preferred term

(2Z,4E) 5 [(1R,3R,5R,8S) 8 هیدروکسی 1, دی متیل 3 [(2R,,4S,5S,6R) ,4, تری 6 ( ) oxan 2 yl]oxy oxabicyclo[.. methylayltaic] اسید  

Type

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

charge

  • 0

formula

  • C21H32O10

inchi

  • InChI=1S/C21H32O10/c1-11(6-14(23)24)4-5-21(28)19(2)7-12(8-20(21,3)29-10-19)30-18-17(27)16(26)15(25)13(9-22)31-18/h4-6,12-13,15-18,22,25-28H,7-10H2,1-3H3,(H,23,24)/b5-4+,11-6-/t12-,13-,15-,16+,17-,18-,19-,20-,21+/m1/s1

inchikey

  • UHHVHDDICOEBTQ-QCJIOVKVSA-N

mass

  • 444.477

monoisotopicmass

  • 444.19955

smiles

  • O1[C@]2([C@@](O)([C@](C[C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C2)(C1)C)/C=C/C(/C)=C/C(O)=O)C

subset

  • 2_STAR

synonym EXACT

  • (2Z,4E)-5-[(1R,3R,5R,8S)-8-hydroxy-1,5-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181716

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