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Concept information

Preferred term

3،4 دی هیدروکسی 5 همه ترانس هپتاپرنیل بنزوات  

Type

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

charge

  • -1

formula

  • C42H61O4

inchi

  • InChI=1S/C42H62O4/c1-31(2)15-9-16-32(3)17-10-18-33(4)19-11-20-34(5)21-12-22-35(6)23-13-24-36(7)25-14-26-37(8)27-28-38-29-39(42(45)46)30-40(43)41(38)44/h15,17,19,21,23,25,27,29-30,43-44H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,45,46)/p-1/b32-17+,33-19+,34-21+,35-23+,36-25+,37-27+

inchikey

  • LIEYLSGXGOXYTD-CTBYCIIYSA-M

mass

  • 629.93190

monoisotopicmass

  • 629.45753

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(cc(O)c1O)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]-4,5-dihydroxybenzoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:84450

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