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CHEBI:185961 - Nordracorubin

ChEBI IDCHEBI:185961
ChEBI NameNordracorubin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H22O5
Net Charge0
Average Mass474.512
Monoisotopic Mass474.14672
SMILESCOc1cc2oc3cc(=O)cc4oc(-c5ccccc5)cc(c2c2c1CCC(c1ccccc1)O2)c43
InChIInChI=1S/C31H22O5/c1-33-25-17-28-30(31-21(25)12-13-23(36-31)18-8-4-2-5-9-18)22-16-24(19-10-6-3-7-11-19)34-26-14-20(32)15-27(35-28)29(22)26/h2-11,14-17,23H,12-13H2,1H3
InChIKeyZKOTWKIEVACBFM-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)
Nordracorubin (CHEBI:185961) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
9-methoxy-5,19-diphenyl-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2,8,10,13,16,19-heptaen-15-one
Manual XrefsDatabases
303013ChemSpider
Registry NumbersSources
CAS:35290-22-3ChemIDplus