CHEBI:228027 - Spiromastilactone I

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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 Spiromastilactone I
ChEBI ID CHEBI:228027
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H20Cl2O6
Net Charge 0
Average Mass 427.270
Monoisotopic Mass 426.06369
InChI InChI=1S/C20H20Cl2O6/c1-4-6-9-7-10(23)8-12(26-3)18(9)28-19-14-13(11(5-2)27-20(14)25)15(21)17(24)16(19)22/h7-8,11,23-24H,4-6H2,1-3H3/t11-/m1/s1
InChIKey QFBPDNTXXQTHQV-LLVKDONJSA-N
SMILES ClC1=C(O)C(Cl)=C2[C@@H](CC)OC(C2=C1OC3=C(OC)C=C(O)C=C3CCC)=O
Metabolite of Species Details
Spiromastixspecies (NCBI:txid2044277) See: PubMed
ChEBI Ontology
Outgoing Spiromastilactone I (CHEBI:228027) is a aromatic ether (CHEBI:35618)
IUPAC Name
(3R)-4,6-dichloro-3-ethyl-5-hydroxy-7-(4-hydroxy-2-methoxy-6-propylphenoxy)-3H-2-benzouran-1-one
Manual Xref Database
58197287 ChemSpider
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