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CHEBI:187274 - Neodulin

Default Structure
ChEBI IDCHEBI:187274
ChEBI NameNeodulin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H12O5
Net Charge0
Average Mass308.289
Monoisotopic Mass308.06847
SMILESc1cc2cc3c(cc2o1)OCC1c2cc4c(cc2OC31)OCO4
InChIInChI=1S/C18H12O5/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/h1-6,12,18H,7-8H2
InChIKeyVZDPNKZCXYBWLM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Neodulin (CHEBI:187274) 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-heptaene
Manual XrefsDatabases
90532ChemSpider
LMPK12070037LIPID MAPS
Registry NumbersSources
CAS:13401-64-4ChemIDplus