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CHEBI:166651 - Neobanone

ChEBI IDCHEBI:166651
ChEBI NameNeobanone
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FormulaC21H18O7
Net Charge0
Average Mass382.368
Monoisotopic Mass382.10525
SMILESCOc1cc2c(cc1OC)C1(OC)C(=O)c3cc4ccoc4cc3OC1CO2
InChIInChI=1S/C21H18O7/c1-23-17-7-13-16(9-18(17)24-2)27-10-19-21(13,25-3)20(22)12-6-11-4-5-26-14(11)8-15(12)28-19/h4-9,19H,10H2,1-3H3
InChIKeyDGLSPEHHYIIOPE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Neobanone (CHEBI:166651) is a rotenones (CHEBI:72581)
IUPAC Name 
13,16,17-trimethoxy-2,6,20-trioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,7,9,14,16,18-heptaen-12-one
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LMPK12060036LIPID MAPS
24842948ChemSpider