neoabietadienal

Properties Image MNX_ID MNXM165010 reference metacycM:CPD-8711 formula C20H30O global charge 0 mol weight 286.459 InChIKey JPCTZWFFRZZTMM-UMQXSMKFSA-N InChI InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-13,17-18H,5-11H2,1-4H3/t17-,18?,19-,20+/m0/s1 SMILES CC(C)=C1C=C2CCC3[C@](C)(CCC[C@@]3(C)C=O)[C@H]2CC1 MNX internals InChI (mnx) InChI=1/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-13,17-18H,5-11H2,1-4H3/t17-,18?,19-,20+/m0/s1 SMILES (mnx) [CH3:1][C:14]([CH3:2])=[C:15]1[CH2:6][CH2:8][C@H:17]2[C:16](=[CH:12]1)[CH2:7][CH2:9][CH:18]1[C@:19]([CH3:3])([CH:13]=[O:21])[CH2:10][CH2:5][CH2:11][C@:20]21[CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 38 in models (compartimentalized) 0