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Concept information

Preferred term

bartoloside j  

Type

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

Broader concept

charge

  • 0

formula

  • C34H59ClO6

inchi

  • InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1

inchikey

  • OTVIJJKBILNRLT-WPQQXQCVSA-N

mass

  • 599.290

monoisotopicmass

  • 598.40002

smiles

  • ClC(CCCCCC1=C(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)C=C(CCCCCCCCCCC)C=C1O)CCCCCC

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,4S,5R)-2-[2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy]oxane-3,4,5-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205959

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