skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoic acid  

Type

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

charge

  • 0

formula

  • C48H72O4

inchi

  • InChI=1S/C48H72O4/c1-36(2)18-11-19-37(3)20-12-21-38(4)22-13-23-39(5)24-14-25-40(6)26-15-27-41(7)28-16-29-42(8)30-17-31-43(9)32-33-44-34-45(48(50)51)35-46(52-10)47(44)49/h18,20,22,24,26,28,30,32,34-35,49H,11-17,19,21,23,25,27,29,31,33H2,1-10H3,(H,50,51)/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-32+

inchikey

  • DZWHYPVPTJPQQX-MYCGWMCTSA-N

mass

  • 713.08290

monoisotopicmass

  • 712.54306

smiles

  • COc1cc(cc(C/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)CCC=C(C)C)c1O)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • 4-hydroxy-3-methoxy-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]benzoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:84455

Download this concept: