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CHEBI:169842 - Gravacridonediol methyl ether

ChEBI IDCHEBI:169842
ChEBI NameGravacridonediol methyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H21NO5
Net Charge0
Average Mass355.390
Monoisotopic Mass355.14197
SMILESCOCC(C)(O)C1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1
InChIInChI=1S/C20H21NO5/c1-20(24,10-25-3)16-8-12-15(26-16)9-14(22)17-18(12)21(2)13-7-5-4-6-11(13)19(17)23/h4-7,9,16,22,24H,8,10H2,1-3H3
InChIKeyYYTVGIBSAJVHGD-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)
Gravacridonediol methyl ether (CHEBI:169842) has functional parent acridone (CHEBI:50756)
Gravacridonediol methyl ether (CHEBI:169842) is a acridines (CHEBI:22213)
IUPAC Name 
5-hydroxy-2-(2-hydroxy-1-methoxypropan-2-yl)-11-methyl-1,2-dihydrouro[2,3-c]acridin-6-one
Manual XrefsDatabases
HMDB0029327HMDB
4476569ChemSpider