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CHEBI:84522 - 2-methoxy-6-(all-trans-nonaprenyl)phenol

Default Structure
ChEBI IDCHEBI:84522
ChEBI Name2-methoxy-6-(all-trans-nonaprenyl)phenol
Stars
ASCII Name2-methoxy-6-(all-trans-nonaprenyl)phenol
DefinitionA 2-methoxy-6-(all-trans-polyprenyl)phenol in which the polyprenyl component is specified as all-trans-nonaprenyl.
Last Modified7 April 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC52H80O2
Net Charge0
Average Mass737.210
Monoisotopic Mass736.61583
SMILESCOc1cccc(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)CC/C=C(\C)CCC=C(C)C)c1O
InChIInChI=1S/C52H80O2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)39-40-50-37-20-38-51(54-11)52(50)53/h20-21,23,25,27,29,31,33,35,37-39,53H,12-19,22,24,26,28,30,32,34,36,40H2,1-11H3/b42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+,49-39+
InChIKeyXRYXRAOXVPWHHK-SSRAZKMSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-methoxy-6-(all-trans-nonaprenyl)phenol (CHEBI:84522) is a 2-methoxy-6-(all-trans-polyprenyl)phenol (CHEBI:62731)
IUPAC Name 
2-methoxy-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]phenol
UniProt Name  Source
2-methoxy-6-(all-trans-nonaprenyl)phenolUniProt
Manual XrefsDatabases
CPD-9866MetaCyc
Registry NumbersSources
Reaxys:2343422Reaxys