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CHEBI:210513 - Xyloester A

ChEBI IDCHEBI:210513
ChEBI NameXyloester A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O5
Net Charge0
Average Mass386.488
Monoisotopic Mass386.20932
SMILESC=C(C)C1Cc2cc(COC(=O)C(C)C(=CCCCCC)C(=O)O)ccc2O1
InChIInChI=1S/C23H30O5/c1-5-6-7-8-9-19(22(24)25)16(4)23(26)27-14-17-10-11-20-18(12-17)13-21(28-20)15(2)3/h9-12,16,21H,2,5-8,13-14H2,1,3-4H3,(H,24,25)
InChIKeyZWJBVZKAYJMZCN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (18500842)
ChEBI Ontology
Outgoing Relation(s)
Xyloester A (CHEBI:210513) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
2-[1-oxo-1-[(2-prop-1-en-2-yl-2,3-dihydro-1-benzouran-5-yl)methoxy]propan-2-yl]oct-2-enoic acid