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Concept information

Preferred term

3,4-dihydroxy-5-all-trans-octaprenylbenzoate  

Type

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

charge

  • -1

formula

  • C47H69O4

inchi

  • InChI=1S/C47H70O4/c1-35(2)17-10-18-36(3)19-11-20-37(4)21-12-22-38(5)23-13-24-39(6)25-14-26-40(7)27-15-28-41(8)29-16-30-42(9)31-32-43-33-44(47(50)51)34-45(48)46(43)49/h17,19,21,23,25,27,29,31,33-34,48-49H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,50,51)/p-1/b36-19+,37-21+,38-23+,39-25+,40-27+,41-29+,42-31+

inchikey

  • ZTGCMYPRIIAXFD-LHSBZCSKSA-M

mass

  • 698.04890

monoisotopicmass

  • 697.52013

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/CC/C(C)=C/Cc1cc(cc(O)c1O)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • 3,4-dihydroxy-5-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:84452

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