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CHEBI:209932 - Merochlorin E

ChEBI IDCHEBI:209932
ChEBI NameMerochlorin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33ClO5
Net Charge0
Average Mass460.998
Monoisotopic Mass460.20165
SMILESCC1=CCCC(C)(C)[C@@H]1CC(C[C@@]1(O)C(=O)c2cc(O)cc(O)c2C(=O)[C@@]1(C)Cl)=C(C)C
InChIInChI=1S/C26H33ClO5/c1-14(2)16(10-19-15(3)8-7-9-24(19,4)5)13-26(32)22(30)18-11-17(28)12-20(29)21(18)23(31)25(26,6)27/h8,11-12,19,28-29,32H,7,9-10,13H2,1-6H3/t19-,25-,26-/m1/s1
InChIKeyQYGRDYUHWNHSEG-WGURPXDASA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (31298867)
Roles Classification
Biological Roles:
fat-soluble vitamin (role)  Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
Merochlorin E (CHEBI:209932) is a vitamin K (CHEBI:28384)
IUPAC Name 
(2R,3S)-3-chloro-2,5,7-trihydroxy-3-methyl-2-[3-methyl-2-[[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl]but-2-enyl]naphthalene-1,4-dione
Manual XrefsDatabases
77001836ChemSpider