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CHEBI:199944 - Paeciloside A

ChEBI IDCHEBI:199944
ChEBI NamePaeciloside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O8
Net Charge0
Average Mass316.306
Monoisotopic Mass316.11582
SMILESCc1c(O)cc(O)c(C(=O)OC[C@@H](O)[C@H](O)[C@H](O)CO)c1C
InChIInChI=1S/C14H20O8/c1-6-7(2)12(9(17)3-8(6)16)14(21)22-5-11(19)13(20)10(18)4-15/h3,10-11,13,15-20H,4-5H2,1-2H3/t10-,11-,13-/m1/s1
InChIKeyAZTRQZXCYWRXFG-NQBHXWOUSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces (ncbitaxon:33202) - PubMed (22692953)
ChEBI Ontology
Outgoing Relation(s)
Paeciloside A (CHEBI:199944) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl] 4,6-dihydroxy-2,3-dimethylbenzoate
Manual XrefsDatabases
78436558ChemSpider