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CHEBI:191767 - Narceinone

ChEBI IDCHEBI:191767
ChEBI NameNarceinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25NO9
Net Charge0
Average Mass459.451
Monoisotopic Mass459.15293
SMILESCOc1ccc(C(=O)C(=O)c2c(CCN(C)C)cc3c(c2OC)OCO3)c(C(=O)O)c1OC
InChIInChI=1S/C23H25NO9/c1-24(2)9-8-12-10-15-21(33-11-32-15)22(31-5)16(12)19(26)18(25)13-6-7-14(29-3)20(30-4)17(13)23(27)28/h6-7,10H,8-9,11H2,1-5H3,(H,27,28)
InChIKeyHXFMRYFLZVSZMP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Narceinone (CHEBI:191767) is a stilbenoid (CHEBI:26776)
IUPAC Name 
6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]-2-oxoacetyl]-2,3-dimethoxybenzoic acid
Manual XrefsDatabases
30777273ChemSpider
HMDB0038598HMDB