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CHEBI:228054 - (7S,11R)-12-acetoxy-sydowic acid

ChEBI IDCHEBI:228054
ChEBI Name(7S,11R)-12-acetoxy-sydowic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O6
Net Charge0
Average Mass322.357
Monoisotopic Mass322.14164
SMILESCC(=O)OC[C@@]1(C)CCC[C@@](C)(c2ccc(C(=O)O)cc2O)O1
InChIInChI=1S/C17H22O6/c1-11(18)22-10-16(2)7-4-8-17(3,23-16)13-6-5-12(15(20)21)9-14(13)19/h5-6,9,19H,4,7-8,10H2,1-3H3,(H,20,21)/t16-,17+/m1/s1
InChIKeyQFLRLCSGTIQEIB-SJORKVTESA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/j.phytol.2019.04.023)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(7S,11R)-12-acetoxy-sydowic acid (CHEBI:228054) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
4-[(2S,6R)-6-(acetyloxymethyl)-2,6-dimethyloxan-2-yl]-3-hydroxybenzoic acid
Manual XrefsDatabases
78429119ChemSpider