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CHEBI:204379 - 3-O-Methylalaternin-7-O-sulphate

ChEBI IDCHEBI:204379
ChEBI Name3-O-Methylalaternin-7-O-sulphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O9S
Net Charge0
Average Mass380.330
Monoisotopic Mass380.02020
SMILESCOc1cc(O)c2c(c1)C(=O)c1cc(C)c(OS(=O)(=O)O)c(O)c1C2=O
InChIInChI=1S/C16H12O9S/c1-6-3-8-12(15(20)16(6)25-26(21,22)23)14(19)11-9(13(8)18)4-7(24-2)5-10(11)17/h3-5,17,20H,1-2H3,(H,21,22,23)
InChIKeyFMLGIVPYYOHBBX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ampelomycesspecies (ncbitaxon:1935294) - PubMed (18400237)
ChEBI Ontology
Outgoing Relation(s)
3-O-Methylalaternin-7-O-sulphate (CHEBI:204379) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(1,8-dihydroxy-6-methoxy-3-methyl-9,10-dioxoanthracen-2-yl) hydrogen sulate
Manual XrefsDatabases
78434797ChemSpider