5-chloro-omega-hydroxy-1-O-methylemodin (CHEBI:227828)

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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	5-chloro-omega-hydroxy-1-O-methylemodin

ChEBI ID	CHEBI:227828

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H11ClO6

Net Charge

Average Mass

334.710

Monoisotopic Mass

334.02442

InChI

InChI=1S/C16H11ClO6/c1-23-10-3-6(5-18)2-7-11(10)16(22)12-8(19)4-9(20)14(17)13(12)15(7)21/h2-4,18-20H,5H2,1H3

InChIKey

GFNBQXKNWQSVTJ-UHFFFAOYSA-N

SMILES

ClC1=C2C(=O)C3=C(C(OC)=CC(=C3)CO)C(C2=C(O)C=C1O)=O

Metabolite of Species	Details
Nephroma laevigatum (NCBI:txid203386)	See: DOI

ChEBI Ontology
Outgoing	5-chloro-omega-hydroxy-1-O-methylemodin (CHEBI:227828) is a hydroxyanthraquinones (CHEBI:37485)

IUPAC Name

1-chloro-2,4-dihydroxy-7-(hydroxymethyl)-5-methoxyanthracene-9,10-dione