CHEBI:228045 - (7R,8R)-1,8-epoxy-11-hydroxy-sydonic acid

ChEBI IDCHEBI:228045
ChEBI Name(7R,8R)-1,8-epoxy-11-hydroxy-sydonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESCC(C)(O)CC[C@H]1Oc2cc(C(=O)O)ccc2[C@@]1(C)O
InChIInChI=1S/C15H20O5/c1-14(2,18)7-6-12-15(3,19)10-5-4-9(13(16)17)8-11(10)20-12/h4-5,8,12,18-19H,6-7H2,1-3H3,(H,16,17)/t12-,15-/m1/s1
InChIKeyNYZBAJUQYRYTMU-IUODEOHRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/j.phytol.2019.04.023)
ChEBI Ontology
Outgoing Relation(s)
(7R,8R)-1,8-epoxy-11-hydroxy-sydonic acid (CHEBI:228045) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
(2R,3R)-3-hydroxy-2-(3-hydroxy-3-methylbutyl)-3-methyl-2H-1-benzouran-6-carboxylic acid
Manual XrefsDatabases
78429120ChemSpider