aignopsanoic acid A

Properties Image MNX_ID MNXM102405 reference chebi:69132 formula C15H22O3 global charge 0 mol weight 250.338 InChIKey RIUVXDXRPZIYCQ-HRUWLGOTSA-N InChI InChI=1S/C15H22O3/c1-10-5-4-7-15(3)13(18)11(9-12(16)17)6-8-14(10,15)2/h9-10H,4-8H2,1-3H3,(H,16,17)/b11-9-/t10-,14+,15+/m0/s1 SMILES C[C@H]1CCC[C@]2(C)C(=O)/C(=C\C(=O)O)CC[C@]12C MNX internals InChI (mnx) InChI=1/C15H22O3/c1-10-5-4-7-15(3)13(18)11(9-12(16)17)6-8-14(10,15)2/h9-10H,4-8H2,1-3H3,(H,16,17)/b11-9-/t10-,14+,15+/m0/s1 SMILES (mnx) [CH3:1][C@H:10]1[CH2:5][CH2:4][CH2:7][C@:15]2([CH3:3])[C:13](=[O:18])/[C:11](=[CH:9]\[C:12](=[O:16])[OH:17])[CH2:6][CH2:8][C@:14]12[CH3:2]

Parent-child relations graph

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