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Concept information

Preferred term

6-o-oleuropeoylsucrose  

Type

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

Broader concept

charge

  • 0

formula

  • C22H36O13

inchi

  • InChI=1S/C22H36O13/c1-21(2,31)11-5-3-10(4-6-11)19(30)32-8-13-14(25)16(27)17(28)20(33-13)35-22(9-24)18(29)15(26)12(7-23)34-22/h3,11-18,20,23-29,31H,4-9H2,1-2H3/t11?,12-,13-,14-,15-,16+,17-,18+,20-,22+/m1/s1

inchikey

  • NRXDBALRMKOHET-QWENIEMVSA-N

mass

  • 508.517

monoisotopicmass

  • 508.21559

smiles

  • O1[C@@](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)COC(=O)C=3CCC(C(O)(C)C)CC3)([C@@H](O)[C@H](O)[C@H]1CO)CO

subset

  • 2_STAR

synonym EXACT

  • [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168135

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