fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol

Properties Image MNX_ID MNXM148245 reference metacycM:CPD-16829 formula C21H34O3 global charge 0 mol weight 334.5 InChIKey PLJKAXMGXOUMBM-KNAIKSRTSA-N InChI InChI=1S/C21H34O3/c1-13(2)15-6-8-20(4)11-18-16(7-9-21(18,23)12-24-5)14(3)19(22)10-17(15)20/h11,13-14,16,19,22-23H,6-10,12H2,1-5H3/b18-11+/t14-,16+,19?,20-,21?/m1/s1 SMILES COCC1(O)CC[C@@H]2/C1=C\[C@@]1(C)CCC(C(C)C)=C1CC(O)[C@@H]2C MNX internals InChI (mnx) InChI=1/C21H34O3/c1-13(2)15-6-8-20(4)11-18-16(7-9-21(18,23)12-24-5)14(3)19(22)10-17(15)20/h11,13-14,16,19,22-23H,6-10,12H2,1-5H3/b18-11+/t14-,16+,19?,20-,21?/m1/s1 SMILES (mnx) [CH3:1][CH:13]([CH3:2])[C:15]1=[C:17]2[CH2:10][CH:19]([OH:22])[C@H:14]([CH3:3])[C@@H:16]3[CH2:7][CH2:9][C:21]([CH2:12][O:24][CH3:5])([OH:23])/[C:18]3=[CH:11]/[C@@:20]2([CH3:4])[CH2:8][CH2:6]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0