CHEBI:211459 - Diffractione A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Diffractione A
ChEBI ID CHEBI:211459
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H16O9
Net Charge 0
Average Mass 400.339
Monoisotopic Mass 400.07943
InChI InChI=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
InChIKey KYPJUGXDLPURTM-FQEVSTJZSA-N
SMILES O=C1OC2=C(C(O)=C3C(=O)O[C@@H](C3=C2C)OCC)OC4=C1C(=CC(=C4C=O)O)C
Metabolite of Species Details
Usnea diffracta (NCBI:txid142672) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
78435375 ChemSpider
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