CHEBI:228029 - Spiromastilactone J

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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 J
ChEBI ID CHEBI:228029
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H16Cl4O6
Net Charge 0
Average Mass 482.130
Monoisotopic Mass 479.97010
InChI InChI=1S/C19H16Cl4O6/c1-3-5-6-10(20)14(24)12(22)16(26)17(6)29-18-9-8(7(4-2)28-19(9)27)11(21)15(25)13(18)23/h7,24-26H,3-5H2,1-2H3/t7-/m1/s1
InChIKey SXEAIYNDKQOFJM-SSDOTTSWSA-N
SMILES ClC1=C(O)C(Cl)=C(CCC)C(=C1O)OC2=C(Cl)C(O)=C(Cl)C3=C2C(=O)O[C@@H]3CC
Metabolite of Species Details
Spiromastixspecies (NCBI:txid2044277) See: PubMed
ChEBI Ontology
Outgoing Spiromastilactone J (CHEBI:228029) is a aromatic ether (CHEBI:35618)
IUPAC Name
(3R)-4,6-dichloro-7-(3,5-dichloro-2,4-dihydroxy-6-propylphenoxy)-3-ethyl-5-hydroxy-3H-2-benzouran-1-one
Manual Xref Database
58197288 ChemSpider
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