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CHEBI:218006 - Preubetaiafuran A

Default Structure
ChEBI IDCHEBI:218006
ChEBI NamePreubetaiafuran A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O7
Net Charge0
Average Mass344.319
Monoisotopic Mass344.08960
SMILESCc1c2c(c(O)c3c1oc1c(O)c(CO)c(C(=O)O)c(C)c13)COC2
InChIInChI=1S/C18H16O7/c1-6-9-4-24-5-10(9)14(20)13-12-7(2)11(18(22)23)8(3-19)15(21)17(12)25-16(6)13/h19-21H,3-5H2,1-2H3,(H,22,23)
InChIKeyNTEMNLFHHMFYJZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Preussiaspecies (in: ascomycete fungi) (ncbitaxon:1715257) - PubMed (24440906)
ChEBI Ontology
Outgoing Relation(s)
Preubetaiafuran A (CHEBI:218006) is a dibenzofurans (CHEBI:38922)
IUPAC Name 
4,8-dihydroxy-7-(hydroxymethyl)-5,10-dimethyl-1,3-dihydro-[2]benzouro[5,6-b][1]benzouran-6-carboxylic acid
Manual XrefsDatabases
32033764ChemSpider