(1S,3R)-austrocortirubin (CHEBI:227209)

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CHEBI:227209 - (1S,3R)-austrocortirubin

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ChEBI ID	CHEBI:227209
ChEBI Name	(1S,3R)-austrocortirubin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H16O7
Net Charge	0
Average Mass	320.297
Monoisotopic Mass	320.08960
SMILES	COc1cc(O)c2c(c1O)C(=O)C1=C(C2=O)[C@@H](O)C[C@](C)(O)C1
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-ZKANADHPSA-N

Species of Metabolite	Component	Source	Comments
Cortinarius persplendidus (ncbitaxon:742022)	-	DOI (10.1071/ch99141)

ChEBI Ontology

Outgoing Relation(s)
	(1S,3R)-austrocortirubin (CHEBI:227209) is a hydroxyanthraquinones (CHEBI:37485)

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

Manual Xrefs	Databases
78443593	ChemSpider