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CHEBI:196243 - Neoduleen

Default Structure
ChEBI IDCHEBI:196243
ChEBI NameNeoduleen
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H10O5
Net Charge0
Average Mass306.273
Monoisotopic Mass306.05282
SMILESc1cc2cc3c(cc2o1)OCc1c-3oc2cc3c(cc12)OCO3
InChIInChI=1S/C18H10O5/c1-2-19-13-5-14-11(3-9(1)13)18-12(7-20-14)10-4-16-17(22-8-21-16)6-15(10)23-18/h1-6H,7-8H2
InChIKeyYHDQXDYABIYVHP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Neoduleen (CHEBI:196243) is a pterocarpans (CHEBI:26377)
IUPAC Name 
7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-1(13),2(10),3,5,8,14,16(20),21-octaene
Manual XrefsDatabases
24843062ChemSpider
LMPK12070145LIPID MAPS