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CHEBI:211459 - Diffractione A

ChEBI IDCHEBI:211459
ChEBI NameDiffractione A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O9
Net Charge0
Average Mass400.339
Monoisotopic Mass400.07943
SMILESCCO[C@H]1OC(=O)c2c(O)c3c(c(C)c21)OC(=O)c1c(C)cc(O)c(C=O)c1O3
InChIInChI=1S/C20H16O9/c1-4-26-20-12-8(3)15-17(14(23)13(12)19(25)29-20)27-16-9(6-21)10(22)5-7(2)11(16)18(24)28-15/h5-6,20,22-23H,4H2,1-3H3/t20-/m0/s1
InChIKeyKYPJUGXDLPURTM-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Usnea diffracta (ncbitaxon:142672) - DOI (10.1016/j.cclet.2008.10.032)
ChEBI Ontology
Outgoing Relation(s)
Diffractione A (CHEBI:211459) is a aromatic ether (CHEBI:35618)
IUPAC Name 
14-ethoxy-5,18-dihydroxy-7,12-dimethyl-9,16-dioxo-2,10,15-trioxatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3(8),4,6,12,17-hexaene-4-carbaldehyde
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78435375ChemSpider