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CHEBI:200224 - 4,4'-Oxybis(alpha,alpha,6-trimethyl-2,3-dihydrobenzofuran-2beta-methanol)

ChEBI IDCHEBI:200224
ChEBI Name4,4'-Oxybis(alpha,alpha,6-trimethyl-2,3-dihydrobenzofuran-2beta-methanol)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O5
Net Charge0
Average Mass398.499
Monoisotopic Mass398.20932
SMILESCc1cc(Oc2cc(C)cc3c2C[C@H](C(C)(C)O)O3)c2c(c1)O[C@@H](C(C)(C)O)C2
InChIInChI=1S/C24H30O5/c1-13-7-17(15-11-21(23(3,4)25)28-19(15)9-13)27-18-8-14(2)10-20-16(18)12-22(29-20)24(5,6)26/h7-10,21-22,25-26H,11-12H2,1-6H3/t21-,22-/m1/s1
InChIKeyXBQWKMGDQPZNKX-FGZHOGPDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tetlet.2015.04.109)
ChEBI Ontology
Outgoing Relation(s)
4,4'-Oxybis(alpha,alpha,6-trimethyl-2,3-dihydrobenzofuran-2beta-methanol) (CHEBI:200224) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzouran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzouran-2-yl]propan-2-ol
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78440817ChemSpider