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Concept information

Preferred term

bartoloside k  

Type

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

Broader concept

charge

  • 0

formula

  • C35H60Cl2O6

inchi

  • InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1

inchikey

  • LJLORIMRLLORHA-LNSHLUEESA-N

mass

  • 647.760

monoisotopicmass

  • 646.37670

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205964

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