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Concept information

Preferred term

4-hydroxy-3-all-trans-heptaprenylbenzoate  

Type

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

charge

  • -1

formula

  • C42H61O3

inchi

  • InChI=1S/C42H62O3/c1-32(2)15-9-16-33(3)17-10-18-34(4)19-11-20-35(5)21-12-22-36(6)23-13-24-37(7)25-14-26-38(8)27-28-39-31-40(42(44)45)29-30-41(39)43/h15,17,19,21,23,25,27,29-31,43H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,44,45)/p-1/b33-17+,34-19+,35-21+,36-23+,37-25+,38-27+

inchikey

  • PEMFGDIFKKXFRG-PYHSYOTJSA-M

mass

  • 613.93250

monoisotopicmass

  • 613.46262

smiles

  • CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(ccc1O)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • 3-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-4-hydroxybenzoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:84496

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