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CHEBI:175408 - 3-Methyl-2-butenyl-(-)-piperitol

ChEBI IDCHEBI:175408
ChEBI Name3-Methyl-2-butenyl-(-)-piperitol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILESCOc1cc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)ccc1O/C=C\C(C)C
InChIInChI=1S/C25H28O6/c1-15(2)8-9-27-20-6-4-16(10-22(20)26-3)24-18-12-29-25(19(18)13-28-24)17-5-7-21-23(11-17)31-14-30-21/h4-11,15,18-19,24-25H,12-14H2,1-3H3/b9-8-
InChIKeyNXUQPWMHPDPMCA-HJWRWDBZSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Methyl-2-butenyl-(-)-piperitol (CHEBI:175408) is a lignan (CHEBI:25036)
IUPAC Name 
5-[6-[3-methoxy-4-[(Z)-3-methylbut-1-enoxy]phenyl]-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-3-yl]-1,3-benzodioxole
Manual XrefsDatabases
35014370ChemSpider
HMDB0037097HMDB