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Concept information

Preferred term

متیل 13 sophorosyloxydocosanoate  

Type

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

charge

  • 0

formula

  • C35H66O13

inchi

  • InChI=1S/C35H66O13/c1-3-4-5-6-10-13-16-19-24(20-17-14-11-8-7-9-12-15-18-21-27(38)44-2)45-35-33(31(42)29(40)26(23-37)47-35)48-34-32(43)30(41)28(39)25(22-36)46-34/h24-26,28-37,39-43H,3-23H2,1-2H3/t24?,25-,26-,28-,29-,30+,31+,32-,33-,34+,35-/m1/s1

inchikey

  • NKQRPULMZRZDJA-IPORWCFUSA-N

mass

  • 694.89074

monoisotopicmass

  • 694.45034

smiles

  • CCCCCCCCCC(CCCCCCCCCCCC(=O)OC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • methyl 13-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]docosanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:51077

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