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CHEBI:202798 - Communiol B

ChEBI IDCHEBI:202798
ChEBI NameCommuniol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O4
Net Charge0
Average Mass214.261
Monoisotopic Mass214.12051
SMILESCC[C@H](O)[C@@H]1C[C@@H](C/C=C/C(=O)O)CO1
InChIInChI=1S/C11H18O4/c1-2-9(12)10-6-8(7-15-10)4-3-5-11(13)14/h3,5,8-10,12H,2,4,6-7H2,1H3,(H,13,14)/b5-3+/t8-,9+,10+/m1/s1
InChIKeyJWXVXVPNKJNCSL-WTIWNBOUSA-N
Species of MetaboliteComponentSourceComments
Podospora communis (ncbitaxon:438773) - DOI (10.1016/j.tetlet.2004.07.093)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Communiol B (CHEBI:202798) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
(E)-4-[(3R,5S)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]but-2-enoic acid
Manual XrefsDatabases
8257498ChemSpider