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CHEBI:28433 - phyllohydroquinone

ChEBI IDCHEBI:28433
ChEBI Namephyllohydroquinone
Stars
Secondary ChEBI IDsCHEBI:10011, CHEBI:27303
Last Modified13 October 2016
DownloadsMolfile
FormulaC31H48O2
Net Charge0
Average Mass452.723
Monoisotopic Mass452.36543
SMILESC/C(=C\Cc1c(C)c(O)c2ccccc2c1O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
InChIKeyBUFJIHPUGZHTHL-NKFFZRIASA-N
ChEBI Ontology
Outgoing Relation(s)
phyllohydroquinone (CHEBI:28433) is a naphthohydroquinone (CHEBI:51475)
phyllohydroquinone (CHEBI:28433) is a polyprenylhydroquinone (CHEBI:26253)
IUPAC Name 
2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-diol
Synonyms  Source
Vitamin K hydroquinoneKEGG COMPOUND
vitamin K1 hydroquinoneChemIDplus
PhytonadiolChemIDplus
Vitamin K1 hydroquinoneKEGG COMPOUND
PhytonadiolKEGG COMPOUND
UniProt Name  Source
phylloquinolUniProt
Manual XrefsDatabases
C03313KEGG COMPOUND
Registry NumbersSources
Beilstein:3168075Beilstein
CAS:572-96-3KEGG COMPOUND
CAS:572-96-3ChemIDplus