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CHEBI:169902 - Margrapine A

ChEBI IDCHEBI:169902
ChEBI NameMargrapine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23NO7
Net Charge0
Average Mass401.415
Monoisotopic Mass401.14745
SMILESCOc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1C(O)C1OC1(C)C
InChIInChI=1S/C21H23NO7/c1-21(2)20(29-21)18(26)14-12(27-4)8-11(24)13-16(14)22(3)15-9(17(13)25)6-7-10(23)19(15)28-5/h6-8,18,20,23-24,26H,1-5H3
InChIKeyLROWEGBUANNUOY-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)
Margrapine A (CHEBI:169902) has functional parent acridone (CHEBI:50756)
Margrapine A (CHEBI:169902) is a acridines (CHEBI:22213)
IUPAC Name 
4-[(3,3-dimethyloxiran-2-yl)-hydroxymethyl]-1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one
Manual XrefsDatabases
35013335ChemSpider
HMDB0031254HMDB