13-epi-manool

Properties Image MNX_ID MNXM97644 reference chebi:76944 formula C20H34O global charge 0 mol weight 290.491 InChIKey CECREIRZLPLYDM-RAUXBKROSA-N InChI InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19+,20+/m0/s1 SMILES C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C MNX internals InChI (mnx) InChI=1/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19+,20+/m0/s1 SMILES (mnx) [CH2:1]=[CH:7][C@:19]([CH3:5])([CH2:14][CH2:11][C@H:16]1[C:15](=[CH2:2])[CH2:9][CH2:10][C@H:17]2[C:18]([CH3:3])([CH3:4])[CH2:12][CH2:8][CH2:13][C@:20]12[CH3:6])[OH:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1