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CHEBI:206441 - Xylaral

ChEBI IDCHEBI:206441
ChEBI NameXylaral
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O7
Net Charge0
Average Mass418.486
Monoisotopic Mass418.19915
SMILESCCCCCCCCC/C=C/C(=O)CCc1c(O)c(C=O)c2c(c1O)C(=O)O[C@@H]2O
InChIInChI=1S/C23H30O7/c1-2-3-4-5-6-7-8-9-10-11-15(25)12-13-16-20(26)17(14-24)18-19(21(16)27)23(29)30-22(18)28/h10-11,14,22,26-28H,2-9,12-13H2,1H3/b11-10+/t22-/m0/s1
InChIKeyIPXWNHKZNHVKLL-NEQMZLFVSA-N
Species of MetaboliteComponentSourceComments
Xylaria polymorpha (ncbitaxon:77046) - DOI (10.1002/jlac.1990199001154)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Xylaral (CHEBI:206441) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
3,5,7-trihydroxy-1-oxo-6-[(E)-3-oxotetradec-4-enyl]-3H-2-benzouran-4-carbaldehyde
Manual XrefsDatabases
10281487ChemSpider