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CHEBI:191826 - Otobanone

ChEBI IDCHEBI:191826
ChEBI NameOtobanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O5
Net Charge0
Average Mass338.359
Monoisotopic Mass338.11542
SMILESC[C@@H]1[C@@H](c2ccc3c(c2)OCO3)c2c(ccc3c2OCO3)C(=O)[C@H]1C
InChIInChI=1S/C20H18O5/c1-10-11(2)19(21)13-4-6-15-20(25-9-23-15)18(13)17(10)12-3-5-14-16(7-12)24-8-22-14/h3-7,10-11,17H,8-9H2,1-2H3/t10-,11-,17-/m0/s1
InChIKeyZTOORMQTJNUZOQ-DINDLPBHSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Otobanone (CHEBI:191826) is a lignan (CHEBI:25036)
IUPAC Name 
(7S,8R,9S)-9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-8,9-dihydro-7H-benzo[g][1,3]benzodioxol-6-one
Manual XrefsDatabases
2341628ChemSpider
Registry NumbersSources
CAS:34426-79-4ChemIDplus