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

Properties Image MNX_ID MNXM117520 reference chebi:175408 formula C25H28O6 global charge 0 mol weight 424.493 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 COC1=C(O/C=C\C(C)C)C=CC(C2OCC3C(C4=CC=C5OCOC5=C4)OCC23)=C1 MNX internals InChI (mnx) InChI=1/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-/t18?,19?,24?,25? SMILES (mnx) [CH3:1][CH:15]([CH3:2])/[CH:8]=[CH:9]\[O:27][C:20]1=[C:22]([O:26][CH3:3])[CH:10]=[C:16]([CH:24]2[CH:18]3[CH2:12][O:29][CH:25]([C:17]4=[CH:11][C:23]5=[C:21]([CH:7]=[CH:5]4)[O:30][CH2:14][O:31]5)[CH:19]3[CH2:13][O:28]2)[CH:4]=[CH:6]1

Parent-child relations graph

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