Spiromastilactone D (CHEBI:228017)

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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 D

ChEBI ID	CHEBI:228017

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H19Cl3O6

Net Charge

Average Mass

461.720

Monoisotopic Mass

460.02472

InChI

InChI=1S/C20H19Cl3O6/c1-4-6-8-14(21)9(24)7-11(27-3)18(8)29-19-13-12(10(5-2)28-20(13)26)15(22)17(25)16(19)23/h7,10,24-25H,4-6H2,1-3H3/t10-/m1/s1

InChIKey

GYEJOONXIBXGBA-SNVBAGLBSA-N

SMILES

ClC1=C(O)C(Cl)=C2[C@@H](CC)OC(C2=C1OC3=C(OC)C=C(O)C(=C3CCC)Cl)=O

Metabolite of Species	Details
Spiromastixspecies (NCBI:txid2044277)	See: PubMed

ChEBI Ontology
Outgoing	Spiromastilactone D (CHEBI:228017) is a aromatic ether (CHEBI:35618)

IUPAC Name

(3R)-4,6-dichloro-7-(3-chloro-4-hydroxy-6-methoxy-2-propylphenoxy)-3-ethyl-5-hydroxy-3H-2-benzouran-1-one