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Concept information

Preferred term

tg(18:1(9z)/16:0/20:5(5z,8z,11z,14z,17z))[iso6]  

Type

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

Broader concept

charge

  • 0

formula

  • C57H98O6

inchi

  • InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-27,29-30,33,38,41,54H,4-6,8-9,11-15,17-18,20-24,28,31-32,34-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,27-25-,29-26-,33-30-,41-38-/t54-/m1/s1

inchikey

  • QFWRCXUOTZVILC-UHMKBKRGSA-N

mass

  • 879.387

monoisotopicmass

  • 878.73634

smiles

  • C([C@@](COC(CCCCCCC/C=C/CCCCCCCC)=O)(OC(CCCCCCCCCCCCCCC)=O)[H])OC(CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC)=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:88973

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