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CHEBI:196332 - Neobanol

Default Structure
ChEBI IDCHEBI:196332
ChEBI NameNeobanol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H12O6
Net Charge0
Average Mass324.288
Monoisotopic Mass324.06339
SMILESOC12COc3cc4occc4cc3C1Oc1cc3c(cc12)OCO3
InChIInChI=1S/C18H12O6/c19-18-7-21-13-5-12-9(1-2-20-12)3-10(13)17(18)24-14-6-16-15(4-11(14)18)22-8-23-16/h1-6,17,19H,7-8H2
InChIKeyQVTNCCTYKIEOIS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Neobanol (CHEBI:196332) 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-2(10),3,5,8,14,16(20),21-heptaen-13-ol
Manual XrefsDatabases
24843037ChemSpider
LMPK12070107LIPID MAPS