Austrocortirubin (CHEBI:198701)

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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	Austrocortirubin

ChEBI ID	CHEBI:198701

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H16O7

Net Charge

Average Mass

320.297

Monoisotopic Mass

320.08960

InChI

InChI=1S/C16H16O7/c1-16(22)4-6-10(8(18)5-16)15(21)11-7(17)3-9(23-2)14(20)12(11)13(6)19/h3,8,17-18,20,22H,4-5H2,1-2H3/t8-,16-/m0/s1

InChIKey

DGBJOTSGQUQQJO-PWJLMRLQSA-N

SMILES

O=C1C2=C(C(=O)C3=C1[C@@H](O)C[C@](C3)(O)C)C(O)=C(OC)C=C2O

Metabolite of Species	Details
Cortinariusspecies (NCBI:txid1745193)	See: DOI

ChEBI Ontology
Outgoing	Austrocortirubin (CHEBI:198701) is a hydroxyanthraquinones (CHEBI:37485)

IUPAC Name

(1S,3S)-1,3,5,8-tetrahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione