CHEBI:210636 - (7S,11S)-(+)-12-acetoxysydonic acid

ChEBI IDCHEBI:210636
ChEBI Name(7S,11S)-(+)-12-acetoxysydonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O6
Net Charge0
Average Mass324.373
Monoisotopic Mass324.15729
SMILESCC(=O)OC[C@@H](C)CCC[C@](C)(O)c1ccc(C(=O)O)cc1O
InChIInChI=1S/C17H24O6/c1-11(10-23-12(2)18)5-4-8-17(3,22)14-7-6-13(16(20)21)9-15(14)19/h6-7,9,11,19,22H,4-5,8,10H2,1-3H3,(H,20,21)/t11-,17-/m0/s1
InChIKeyXJSUDGJMDALOTG-GTNSWQLSSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (20415462)
ChEBI Ontology
Outgoing Relation(s)
(7S,11S)-(+)-12-acetoxysydonic acid (CHEBI:210636) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4-[(2S,6S)-7-acetyloxy-2-hydroxy-6-methylheptan-2-yl]-3-hydroxybenzoic acid
Manual XrefsDatabases
24669524ChemSpider