CHEBI:198136 - 5-Chloroemodin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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-Chloroemodin
ChEBI ID CHEBI:198136
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H9ClO5
Net Charge 0
Average Mass 304.680
Monoisotopic Mass 304.01385
InChI InChI=1S/C15H9ClO5/c1-5-2-6-10(7(17)3-5)15(21)11-8(18)4-9(19)13(16)12(11)14(6)20/h2-4,17-19H,1H3
InChIKey BHPXQYXFPVEKFE-UHFFFAOYSA-N
SMILES ClC1=C2C(=O)C3=C(C(O)=CC(=C3)C)C(C2=C(O)C=C1O)=O
Metabolite of Species Details
Nephroma laevigatum (NCBI:txid203386) See: DOI
ChEBI Ontology
Outgoing 5-Chloroemodin (CHEBI:198136) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
1-chloro-2,4,5-trihydroxy-7-methylanthracene-9,10-dione
Manual Xref Database
8442539 ChemSpider
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