Marvin  02260621512D          

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M  END
> <ID>
CHEBI:40407

> <NAME>
2-octaprenylphenol

> <DEFINITION>
A 2-polyprenylphenol in which the polyprenyl chain contains 8 prenyl units; major species at pH 7.3.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40398; CHEBI:1236

> <SYNONYM>
2-Octaprenylphenol; 2-all-trans-octaprenylphenol; 2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL]PHENOL

> <IUPAC_NAME>
2-[(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]phenol

> <FORMULA>
C46H70O

> <MASS>
639.04740

> <MONOISOTOPIC_MASS>
638.54267

> <CHARGE>
0

> <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\Cc1ccccc1O

> <INCHI>
InChI=1S/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+

> <INCHIKEY>
VUNQJPPPTJIREN-CMAXTTDKSA-N

> <DRUGBANK_ACCESSION>
DB03232

> <KEGG_COMPOUND_ACCESSION>
C05810

> <PDBECHEM_ACCESSION>
8PP

$$$$