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CHEBI:168925 - Murrayacinine

ChEBI IDCHEBI:168925
ChEBI NameMurrayacinine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H23NO2
Net Charge0
Average Mass345.442
Monoisotopic Mass345.17288
SMILESCC(C)=CCCC1(C)C=Cc2c(c(C=O)cc3c2nc2ccccc23)O1
InChIInChI=1S/C23H23NO2/c1-15(2)7-6-11-23(3)12-10-18-21-19(13-16(14-25)22(18)26-23)17-8-4-5-9-20(17)24-21/h4-5,7-10,12-14,24H,6,11H2,1-3H3
InChIKeyVEZSSHVWEILOAM-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)
Murrayacinine (CHEBI:168925) is a carbazoles (CHEBI:48513)
IUPAC Name 
3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde
Manual XrefsDatabases
35013163ChemSpider
HMDB0030224HMDB