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CHEBI:174666 - Neodunol

Default Structure
ChEBI IDCHEBI:174666
ChEBI NameNeodunol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H12O4
Net Charge0
Average Mass280.279
Monoisotopic Mass280.07356
SMILESOc1ccc2c(c1)OC1c3cc4ccoc4cc3OCC21
InChIInChI=1S/C17H12O4/c18-10-1-2-11-13-8-20-15-7-14-9(3-4-19-14)5-12(15)17(13)21-16(11)6-10/h1-7,13,17-18H,8H2
InChIKeyUUDOMPYHVUEXEE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Neodunol (CHEBI:174666) is a pterocarpans (CHEBI:26377)
IUPAC Name 
7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaen-17-ol
Manual XrefsDatabases
24842981ChemSpider
HMDB0033743HMDB
LMPK12070007LIPID MAPS