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3-Methyl-2-butenyl-(-)-piperitol

Properties

Image

Occurences in reactions

MNX_ID

MNXM117520

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₅H₂₈O₆

charge

mass

424.18859

reference

chebi:175408

InChIKey

NXUQPWMHPDPMCA-HJWRWDBZSA-N

InChI

InChI=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-

SMILES

COc1cc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)ccc1O/C=C\C(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175408 chebi:175408	3-Methyl-2-butenyl-(-)-piperitol 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
hmdb:HMDB0037097	3-Methyl-2-butenyl-(-)-piperitol 5-[4-(3-methoxy-4-{[(1Z)-3-methylbut-1-en-1-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole
hmdb:HMDB37097	secondary/obsolete/fantasy identifier