Cascarillone

Properties Image MNX_ID MNXM120311 reference hmdb:HMDB0036826 formula C20H30O2 global charge 0 mol weight 302.458 InChIKey SXSAPQYSINCHJK-UHFFFAOYSA-N InChI InChI=1S/C20H30O2/c1-14-5-8-20(4)15(2)11-17(21)12-18(20)19(14,3)9-6-16-7-10-22-13-16/h7,10,13-15,18H,5-6,8-9,11-12H2,1-4H3 SMILES CC1CCC2(C)C(C)CC(=O)CC2C1(C)CCC1=COC=C1 MNX internals InChI (mnx) InChI=1/C20H30O2/c1-14-5-8-20(4)15(2)11-17(21)12-18(20)19(14,3)9-6-16-7-10-22-13-16/h7,10,13-15,18H,5-6,8-9,11-12H2,1-4H3/t14?,15?,18?,19?,20? SMILES (mnx) [CH3:1][CH:14]1[CH2:5][CH2:8][C:20]2([CH3:4])[CH:15]([CH3:2])[CH2:11][C:17](=[O:21])[CH2:12][CH:18]2[C:19]1([CH3:3])[CH2:9][CH2:6][C:16]1=[CH:13][O:22][CH:10]=[CH:7]1

Parent-child relations graph

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