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CHEBI:169725 - 2-Methoxystypandrone

ChEBI IDCHEBI:169725
ChEBI Name2-Methoxystypandrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12O5
Net Charge0
Average Mass260.245
Monoisotopic Mass260.06847
SMILESCOC1=CC(=O)c2c(cc(C)c(C(C)=O)c2O)C1=O
InChIInChI=1S/C14H12O5/c1-6-4-8-12(14(18)11(6)7(2)15)9(16)5-10(19-3)13(8)17/h4-5,18H,1-3H3
InChIKeySSHJHOVVYKCJJI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-Methoxystypandrone (CHEBI:169725) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
6-acetyl-5-hydroxy-2-methoxy-7-methylnaphthalene-1,4-dione
Manual XrefsDatabases
HMDB0033265HMDB
139638ChemSpider
Registry NumbersSources
CAS:85122-21-0ChemIDplus