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CHEBI:184371 - 4-[(3,3-Dimethyloxiran-2-yl)(hydroxy)methyl]-1-hydroxy-3,5,6-trimethoxy-10-methyl-9,10-dihydroacridin-9-one

ChEBI IDCHEBI:184371
ChEBI Name4-[(3,3-Dimethyloxiran-2-yl)(hydroxy)methyl]-1-hydroxy-3,5,6-trimethoxy-10-methyl-9,10-dihydroacridin-9-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25NO7
Net Charge0
Average Mass415.442
Monoisotopic Mass415.16310
SMILESCOc1ccc2c(=O)c3c(O)cc(OC)c(C(O)C4OC4(C)C)c3n(C)c2c1OC
InChIInChI=1S/C22H25NO7/c1-22(2)21(30-22)19(26)15-13(28-5)9-11(24)14-17(15)23(3)16-10(18(14)25)7-8-12(27-4)20(16)29-6/h7-9,19,21,24,26H,1-6H3
InChIKeyIPKWOZPFADULKT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913)
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
ChEBI Ontology
Outgoing Relation(s)
4-[(3,3-Dimethyloxiran-2-yl)(hydroxy)methyl]-1-hydroxy-3,5,6-trimethoxy-10-methyl-9,10-dihydroacridin-9-one (CHEBI:184371) has functional parent acridone (CHEBI:50756)
4-[(3,3-Dimethyloxiran-2-yl)(hydroxy)methyl]-1-hydroxy-3,5,6-trimethoxy-10-methyl-9,10-dihydroacridin-9-one (CHEBI:184371) is a acridines (CHEBI:22213)
IUPAC Name 
4-[(3,3-dimethyloxiran-2-yl)-hydroxymethyl]-1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one
Manual XrefsDatabases
35013337ChemSpider
HMDB0031279HMDB