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CHEBI:191620 - Heterotropan

ChEBI IDCHEBI:191620
ChEBI NameHeterotropan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O6
Net Charge0
Average Mass416.514
Monoisotopic Mass416.21989
SMILESCOc1cc(OC)c(C2C(C)C(C)C2c2cc(OC)c(OC)cc2OC)cc1OC
InChIInChI=1S/C24H32O6/c1-13-14(2)24(16-10-20(28-6)22(30-8)12-18(16)26-4)23(13)15-9-19(27-5)21(29-7)11-17(15)25-3/h9-14,23-24H,1-8H3
InChIKeyWCERJEZPIONOJU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Heterotropan (CHEBI:191620) is a lignan (CHEBI:25036)
IUPAC Name 
1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene
Manual XrefsDatabases
112271ChemSpider
HMDB0030749HMDB
Registry NumbersSources
CAS:73036-51-8ChemIDplus