2-trans,4-trans-xanthoxin

Properties Image MNX_ID MNXM722817 reference chebi:91126 formula C15H22O3 global charge 0 mol weight 250.338 InChIKey ZTALKMXOHWQNIA-LVMPZUNDSA-N InChI InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6+/t12-,14+,15-/m0/s1 SMILES CC(/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=O MNX internals InChI (mnx) InChI=1/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6+/t12-,14+,15-/m0/s1 SMILES (mnx) [CH3:1][C:11](/[CH:5]=[CH:7]/[C@:15]12[C:13]([CH3:2])([CH3:3])[CH2:9][C@H:12]([OH:17])[CH2:10][C@@:14]1([CH3:4])[O:18]2)=[CH:6]\[CH:8]=[O:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1