Isocyclocitral

Properties Image MNX_ID MNXM1129209 reference chebi:171934 formula C20H32O2 global charge 0 mol weight 304.474 InChIKey AEXLFXYEFLKADK-UHFFFAOYSA-N InChI InChI=1S/2C10H16O/c1-7-4-8(2)9(3)10(5-7)6-11;1-7-4-8(2)10(6-11)9(3)5-7/h2*4,6,8-10H,5H2,1-3H3 SMILES CC1=CC(C)C(C)C(C=O)C1.CC1=CC(C)C(C=O)C(C)C1 MNX internals InChI (mnx) InChI=1/2C10H16O/c1-7-4-8(2)9(3)10(5-7)6-11;1-7-4-8(2)10(6-11)9(3)5-7/h2*4,6,8-10H,5H2,1-3H3/t2*8?,9?,10? SMILES (mnx) [CH3:12][C:18]1=[CH:15][CH:19]([CH3:13])[CH:21]([CH:17]=[O:22])[CH:20]([CH3:14])[CH2:16]1.[CH3:1][C:7]1=[CH:4][CH:8]([CH3:2])[CH:9]([CH3:3])[CH:10]([CH:6]=[O:11])[CH2:5]1

Parent-child relations graph

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