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CHEBI:168909 - Retrofractamide A

ChEBI IDCHEBI:168909
ChEBI NameRetrofractamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25NO3
Net Charge0
Average Mass327.424
Monoisotopic Mass327.18344
SMILESCC(C)CNC(=O)/C=C/C=C/CC/C=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C20H25NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h4,6-13,16H,3,5,14-15H2,1-2H3,(H,21,22)/b6-4+,9-7+,10-8+
InChIKeyBPSWISYORIWKCT-FCGWLDPVSA-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)
Retrofractamide A (CHEBI:168909) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
(2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide
Manual XrefsDatabases
9188045ChemSpider
HMDB0033447HMDB