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CHEBI:202409 - 5-demethylovalicin

ChEBI IDCHEBI:202409
ChEBI Name5-demethylovalicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESCC(C)=CC[C@H]1O[C@]1(C)[C@@]1(O)[C@H](O)C(=O)CC[C@]12CO2
InChIInChI=1S/C15H22O5/c1-9(2)4-5-11-13(3,20-11)15(18)12(17)10(16)6-7-14(15)8-19-14/h4,11-12,17-18H,5-8H2,1-3H3/t11-,12-,13+,14+,15+/m1/s1
InChIKeyPCNIYGYCVFRRRE-MRLBHPIUSA-N
Species of MetaboliteComponentSourceComments
Chrysosporium lucknowense (ncbitaxon:85845) - PubMed (11738620)
ChEBI Ontology
Outgoing Relation(s)
5-demethylovalicin (CHEBI:202409) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3S,4R,5S)-4,5-dihydroxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-one
Manual XrefsDatabases
8214975ChemSpider