1'-hydroxy-2'-ketoisorhodoptilometrin (CHEBI:198339)

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CHEBI:198339 - 1'-hydroxy-2'-ketoisorhodoptilometrin

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ChEBI ID	CHEBI:198339
ChEBI Name	1'-hydroxy-2'-ketoisorhodoptilometrin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H12O7
Net Charge	0
Average Mass	328.276
Monoisotopic Mass	328.05830
SMILES	CC(=O)[C@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O
InChI	InChI=1S/C17H12O7/c1-6(18)15(22)7-2-9-13(11(20)3-7)17(24)14-10(16(9)23)4-8(19)5-12(14)21/h2-5,15,19-22H,1H3/t15-/m0/s1
InChIKey	MOMXJBBUVWRYDS-HNNXBMFYSA-N

Species of Metabolite	Component	Source	Comments
Penicillium restrictum (ncbitaxon:69784)	-	PubMed (24911880)

ChEBI Ontology

Outgoing Relation(s)
	1'-hydroxy-2'-ketoisorhodoptilometrin (CHEBI:198339) is a hydroxyanthraquinones (CHEBI:37485)

IUPAC Name
1,3,8-trihydroxy-6-(1-hydroxy-2-oxopropyl)anthracene-9,10-dione

Manual Xrefs	Databases
34218606	ChemSpider