Coniothyrinone C (CHEBI:209934)

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CHEBI:209934 - Coniothyrinone C

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ChEBI ID	CHEBI:209934
ChEBI Name	Coniothyrinone C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H18O5
Net Charge	0
Average Mass	278.304
Monoisotopic Mass	278.11542
SMILES	Cc1cc(O)c2c(c1)[C@@H](O)[C@H]1C[C@@H](O)[C@@H](O)C[C@@H]1C2=O
InChI	InChI=1S/C15H18O5/c1-6-2-9-13(12(18)3-6)15(20)8-5-11(17)10(16)4-7(8)14(9)19/h2-3,7-8,10-11,14,16-19H,4-5H2,1H3/t7-,8-,10+,11-,14-/m0/s1
InChIKey	XNERQQPKUBHQGD-PGTQOVHRSA-N

Species of Metabolite	Component	Source	Comments
Coniothyriumspecies (ncbitaxon:1756115)	-	PubMed (23255384)

ChEBI Ontology

Outgoing Relation(s)
	Coniothyrinone C (CHEBI:209934) is a anthracenes (CHEBI:46955)

IUPAC Name
(2S,3R,4aS,9aS,10S)-2,3,8,10-tetrahydroxy-6-methyl-2,3,4,4a,9a,10-hexahydro-1H-anthracen-9-one

Manual Xrefs	Databases
78437949	ChemSpider