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CHEBI:94153 - 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol

ChEBI IDCHEBI:94153
ChEBI Name4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
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FormulaC20H24O4
Net Charge0
Average Mass328.408
Monoisotopic Mass328.16746
SMILESCOc1cc(C[C@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)ccc1O
InChIInChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1
InChIKeyQDDILOVMGWUNGD-UONOGXRCSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol (CHEBI:94153) is a lignan (CHEBI:25036)
Manual XrefsDatabases
LSM-4768LINCS