CHEBI:206641 - Lobariether 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 Lobariether A
ChEBI ID CHEBI:206641
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H18O9
Net Charge 0
Average Mass 402.355
Monoisotopic Mass 402.09508
InChI InChI=1S/C20H18O9/c1-7-5-10(25-3)9-6-27-20-13-12(19(24)29-20)14(21)8(2)15(22)17(13)28-16(9)11(7)18(23)26-4/h5,20-22H,6H2,1-4H3/t20-/m0/s1
InChIKey QECYITLUHSSOGN-FQEVSTJZSA-N
SMILES O=C1O[C@@H]2OCC=3C(OC)=CC(=C(C3OC4=C2C1=C(O)C(=C4O)C)C(=O)OC)C
Metabolite of Species Details
Lobaria orientalis (NCBI:txid209568) See: PubMed
ChEBI Ontology
Outgoing Lobariether A (CHEBI:206641) is a aromatic ether (CHEBI:35618)
IUPAC Name
methyl (11S)-15,17-dihydroxy-7-methoxy-5,16-dimethyl-13-oxo-2,10,12-trioxatetracyclo[9.6.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene-4-carboxylate
Manual Xref Database
78440671 ChemSpider
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