Lupinacidin A (CHEBI:207591)

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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	Lupinacidin A

ChEBI ID	CHEBI:207591

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H20O5

Net Charge

Average Mass

340.375

Monoisotopic Mass

340.13107

InChI

InChI=1S/C20H20O5/c1-9(2)7-8-12-15-16(18(23)10(3)17(12)22)19(24)11-5-4-6-13(21)14(11)20(15)25/h4-6,9,21-23H,7-8H2,1-3H3

InChIKey

WWUQQOQPOGZVSK-UHFFFAOYSA-N

SMILES

O=C1C2=C(O)C=CC=C2C(=O)C3=C1C(=C(O)C(=C3O)C)CCC(C)C

Metabolite of Species	Details
Micromonospora lupini (NCBI:txid285679)	See: PubMed

ChEBI Ontology
Outgoing	Lupinacidin A (CHEBI:207591) is a hydroxyanthraquinones (CHEBI:37485)

IUPAC Name

1,3,5-trihydroxy-2-methyl-4-(3-methylbutyl)anthracene-9,10-dione