5-deoxystrigol

Properties Image MNX_ID MNXM10301 reference chebi:81466 formula C19H22O5 global charge 0 mol weight 330.38 InChIKey QXTUQXRFEBHUBA-DYLOANJQSA-N InChI InChI=1S/C19H22O5/c1-10-7-14(23-17(10)20)22-9-13-12-8-11-5-4-6-19(2,3)15(11)16(12)24-18(13)21/h7,9,12,14,16H,4-6,8H2,1-3H3/b13-9+/t12-,14-,16+/m1/s1 SMILES CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3C4=C(CCCC4(C)C)C[C@H]23)OC1=O MNX internals InChI (mnx) InChI=1/C19H22O5/c1-10-7-14(23-17(10)20)22-9-13-12-8-11-5-4-6-19(2,3)15(11)16(12)24-18(13)21/h7,9,12,14,16H,4-6,8H2,1-3H3/b13-9+/t12-,14-,16+/m1/s1 SMILES (mnx) [CH3:1][C:10]1=[CH:7][C@H:14]([O:22]/[CH:9]=[C:13]2\[C@H:12]3[CH2:8][C:11]4=[C:15]([C@H:16]3[O:24][C:18]2=[O:21])[C:19]([CH3:2])([CH3:3])[CH2:6][CH2:4][CH2:5]4)[O:23][C:17]1=[O:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 2