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CHEBI:228056 - 7-deoxy-7,14-didehydro-12-acetoxy-sydonic acid

ChEBI IDCHEBI:228056
ChEBI Name7-deoxy-7,14-didehydro-12-acetoxy-sydonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILESC=C(CCC[C@H](C)COC(C)=O)c1ccc(C(=O)O)cc1O
InChIInChI=1S/C17H22O5/c1-11(10-22-13(3)18)5-4-6-12(2)15-8-7-14(17(20)21)9-16(15)19/h7-9,11,19H,2,4-6,10H2,1,3H3,(H,20,21)/t11-/m0/s1
InChIKeyBBVXGNKJIZEDTK-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/j.phytol.2019.04.023)
ChEBI Ontology
Outgoing Relation(s)
7-deoxy-7,14-didehydro-12-acetoxy-sydonic acid (CHEBI:228056) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4-(7-acetyloxy-6-methylhept-1-en-2-yl)-3-hydroxybenzoic acid
Manual XrefsDatabases
78429121ChemSpider