EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:227226 - 3'-demethyldihydromaldoxin

ChEBI IDCHEBI:227226
ChEBI Name3'-demethyldihydromaldoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H13ClO8
Net Charge0
Average Mass368.725
Monoisotopic Mass368.02990
SMILESCOC(=O)c1cc(O)c(Cl)c(O)c1Oc1cc(C)cc(O)c1C(=O)O
InChIInChI=1S/C16H13ClO8/c1-6-3-8(18)11(15(21)22)10(4-6)25-14-7(16(23)24-2)5-9(19)12(17)13(14)20/h3-5,18-20H,1-2H3,(H,21,22)
InChIKeyZJZBIAZGHDAGMX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Stagonosporaspecies (ncbitaxon:1904476) - PubMed (22692347)
ChEBI Ontology
Outgoing Relation(s)
3'-demethyldihydromaldoxin (CHEBI:227226) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-(3-chloro-2,4-dihydroxy-6-methoxycarbonylphenoxy)-6-hydroxy-4-methylbenzoic acid
Manual XrefsDatabases
78434947ChemSpider