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CHEBI:204919 - Waol acid

ChEBI IDCHEBI:204919
ChEBI NameWaol acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O5
Net Charge0
Average Mass254.282
Monoisotopic Mass254.11542
SMILESC/C=C/[C@H](O)[C@@H]1O[C@H](/C=C/C)[C@H](O)C=C1C(=O)O
InChIInChI=1S/C13H18O5/c1-3-5-9(14)12-8(13(16)17)7-10(15)11(18-12)6-4-2/h3-7,9-12,14-15H,1-2H3,(H,16,17)/b5-3+,6-4+/t9-,10+,11+,12+/m0/s1
InChIKeyZJPNWNNXUHAYDP-FUSHBVLJSA-N
Species of MetaboliteComponentSourceComments
Sarocladium strictum (ncbitaxon:5046) - DOI (10.1016/j.tetlet.2014.04.063)
ChEBI Ontology
Outgoing Relation(s)
Waol acid (CHEBI:204919) is a pyrans (CHEBI:26407)
IUPAC Name 
(2R,3R,6R)-3-hydroxy-6-[(E,1S)-1-hydroxybut-2-enyl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-5-carboxylic acid
Manual XrefsDatabases
32675119ChemSpider