isotrichodiol

Properties Image MNX_ID MNXM163830 reference metacycM:CPD-18383 formula C15H24O3 global charge 0 mol weight 252.354 InChIKey HSNDHTWRPMEHJK-XGBAVSCCSA-N InChI InChI=1S/C15H24O3/c1-10-4-5-13(2,12(17)6-10)14(3)7-11(16)8-15(14)9-18-15/h6,11-12,16-17H,4-5,7-9H2,1-3H3/t11?,12?,13-,14+,15?/m0/s1 SMILES CC1=CC(O)[C@@](C)([C@@]2(C)CC(O)CC23CO3)CC1 MNX internals InChI (mnx) InChI=1/C15H24O3/c1-10-4-5-13(2,12(17)6-10)14(3)7-11(16)8-15(14)9-18-15/h6,11-12,16-17H,4-5,7-9H2,1-3H3/t11?,12?,13-,14+,15?/m0/s1 SMILES (mnx) [CH3:1][C:10]1=[CH:6][CH:12]([OH:17])[C@@:13]([CH3:2])([C@@:14]2([CH3:3])[CH2:7][CH:11]([OH:16])[CH2:8][C:15]23[CH2:9][O:18]3)[CH2:5][CH2:4]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0