Spiromastilactone B (CHEBI:228013)

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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 B

ChEBI ID	CHEBI:228013

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H21Cl3O6

Net Charge

Average Mass

475.740

Monoisotopic Mass

474.04037

InChI

InChI=1S/C21H21Cl3O6/c1-5-7-9-15(22)11(27-3)8-12(28-4)19(9)30-20-14-13(10(6-2)29-21(14)26)16(23)18(25)17(20)24/h8,10,25H,5-7H2,1-4H3/t10-/m1/s1

InChIKey

HJYLKNAPYUDKSA-SNVBAGLBSA-N

SMILES

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

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

ChEBI Ontology
Outgoing	Spiromastilactone B (CHEBI:228013) is a aromatic ether (CHEBI:35618)

IUPAC Name

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