3,4,3',4'-Bisdehydroxanthomegnin (CHEBI:198931)

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CHEBI:198931 - 3,4,3',4'-Bisdehydroxanthomegnin

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ChEBI ID	CHEBI:198931
ChEBI Name	3,4,3',4'-Bisdehydroxanthomegnin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H18O12
Net Charge	0
Average Mass	570.462
Monoisotopic Mass	570.07983
SMILES	COC1=C(C2=C(OC)C(=O)c3cc4cc(C)oc(=O)c4c(O)c3C2=O)C(=O)c2c(cc3cc(C)oc(=O)c3c2O)C1=O
InChI	InChI=1S/C30H18O12/c1-9-5-11-7-13-17(23(33)15(11)29(37)41-9)25(35)19(27(39-3)21(13)31)20-26(36)18-14(22(32)28(20)40-4)8-12-6-10(2)42-30(38)16(12)24(18)34/h5-8,33-34H,1-4H3
InChIKey	XJPVLWVZQWRVSC-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Nannizzia (ncbitaxon:1915381)	-	DOI (10.1135/cccc19811210)

ChEBI Ontology

Outgoing Relation(s)
	3,4,3',4'-Bisdehydroxanthomegnin (CHEBI:198931) is a quinone (CHEBI:36141)

IUPAC Name
10-hydroxy-8-(10-hydroxy-7-methoxy-3-methyl-1,6,9-trioxobenzo[g]isochromen-8-yl)-7-methoxy-3-methylbenzo[g]isochromene-1,6,9-trione

Manual Xrefs	Databases
78435922	ChemSpider