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Concept information

Preferred term

tg(18:2(9z,12z)/16:0/18:3(9z,12z,15z))[iso6]  

Type

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

Broader concept

charge

  • 0

formula

  • C55H96O6

inchi

  • InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,52H,4-6,8-9,11-15,18,21-24,29-51H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-/t52-/m0/s1

inchikey

  • VFDCLCMTXUEIHM-BZMDPMQBSA-N

mass

  • 853.349

monoisotopicmass

  • 852.72069

smiles

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

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:88892

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