Alternariol 5-O-methyl ether-4′-O-sulfate (CHEBI:226386)

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CHEBI:226386 - Alternariol 5-O-methyl ether-4′-O-sulfate

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ChEBI ID	CHEBI:226386
ChEBI Name	Alternariol 5-O-methyl ether-4′-O-sulfate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H12O8S
Net Charge	0
Average Mass	352.320
Monoisotopic Mass	352.02529
SMILES	COc1cc(O)c2c(=O)oc3cc(OS(=O)(=O)O)cc(C)c3c2c1
InChI	InChI=1S/C15H12O8S/c1-7-3-9(23-24(18,19)20)6-12-13(7)10-4-8(21-2)5-11(16)14(10)15(17)22-12/h3-6,16H,1-2H3,(H,18,19,20)
InChIKey	MHJGYDSKCRKBQS-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Alternariaspecies (ncbitaxon:1715220)	-	PubMed (18494522)

ChEBI Ontology

Outgoing Relation(s)
	Alternariol 5-O-methyl ether-4′-O-sulfate (CHEBI:226386) is a coumarins (CHEBI:23403)

IUPAC Name
(7-hydroxy-9-methoxy-1-methyl-6-oxobenzo[c]chromen-3-yl) hydrogen sulate

Manual Xrefs	Databases
24707729	ChemSpider