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CHEBI:212556 - Xylacinic acid B

ChEBI IDCHEBI:212556
ChEBI NameXylacinic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESC=CCCC/C=C(/C(=O)O)[C@@H](C)C(=O)OC
InChIInChI=1S/C12H18O4/c1-4-5-6-7-8-10(11(13)14)9(2)12(15)16-3/h4,8-9H,1,5-7H2,2-3H3,(H,13,14)/b10-8+/t9-/m1/s1
InChIKeyMUHHFBJAEXVAPF-NCXKZPMSSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (22864733)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Xylacinic acid B (CHEBI:212556) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2E)-2-[(2R)-1-methoxy-1-oxopropan-2-yl]octa-2,7-dienoic acid
Manual XrefsDatabases
29215005ChemSpider