CHEBI:228025 - Spiromastilactone H

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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 H
ChEBI ID CHEBI:228025
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H18Cl2O6
Net Charge 0
Average Mass 413.250
Monoisotopic Mass 412.04804
InChI InChI=1S/C19H18Cl2O6/c1-3-5-8-6-9(22)7-10(23)17(8)27-18-13-12(11(4-2)26-19(13)25)14(20)16(24)15(18)21/h6-7,11,22-24H,3-5H2,1-2H3/t11-/m1/s1
InChIKey JQCNBRBWHQWPPW-LLVKDONJSA-N
SMILES ClC1=C(O)C(Cl)=C2[C@@H](CC)OC(C2=C1OC3=C(O)C=C(O)C=C3CCC)=O
Metabolite of Species Details
Spiromastixspecies (NCBI:txid2044277) See: PubMed
ChEBI Ontology
Outgoing Spiromastilactone H (CHEBI:228025) is a aromatic ether (CHEBI:35618)
IUPAC Name
(3R)-4,6-dichloro-7-(2,4-dihydroxy-6-propylphenoxy)-3-ethyl-5-hydroxy-3H-2-benzouran-1-one
Manual Xref Database
58197286 ChemSpider
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