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Concept information

Preferred term

Pestalotioquinoside A  

Type

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

Broader concept

charge

  • 0

formula

  • C27H36O6

inchi

  • InChI=1S/C27H36O6/c1-17(2)8-6-9-18(3)10-7-11-19(4)12-13-21-16-22(14-15-23(21)28)33-27-26(31)25(30)24(29)20(5)32-27/h8,10,14-16,20,24-31H,4,6-7,9,11H2,1-3,5H3/b18-10+/t20-,24-,25+,26+,27-/m0/s1

inchikey

  • UOHFQHIBGIMLQJ-DASSSYLXSA-N

mass

  • 456.579

monoisotopicmass

  • 456.25119

smiles

  • O1[C@@H](OC2=CC(C#CC(=C)CC/C=C(/CCC=C(C)C)/C)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]([C@@H]1C)O

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,4R,5R,6S)-2-[3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dien-1-ynyl]-4-hydroxyphenoxy]-6-methyloxane-3,4,5-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226173

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