Mollisine (CHEBI:225441)

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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	Mollisine

ChEBI ID	CHEBI:225441

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H10Cl2O4

Net Charge

Average Mass

313.130

Monoisotopic Mass

311.99561

InChI

InChI=1S/C14H10Cl2O4/c1-5-3-7(17)10-8(18)4-6(2)12(19)11(10)9(5)13(20)14(15)16/h3-4,14,17H,1-2H3

InChIKey

LBLPBDUCKUHMIA-UHFFFAOYSA-N

SMILES

ClC(Cl)C(=O)C1=C2C(=O)C(=CC(C2=C(O)C=C1C)=O)C

Metabolite of Species	Details
Mollisiaspecies (NCBI:txid1928189)	See: DOI

ChEBI Ontology
Outgoing	Mollisine (CHEBI:225441) is a naphthoquinone (CHEBI:25481)

IUPAC Name

8-(2,2-dichloroacetyl)-5-hydroxy-2,7-dimethylnaphthalene-1,4-dione