2-dehydrolubimin

Properties Image MNX_ID MNXM9814 reference metacycM:CPD-4742 formula C15H22O2 global charge 0 mol weight 234.339 InChIKey RXSSJEZNYYKUBE-BHPKHCPMSA-N InChI InChI=1S/C15H22O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-13H,1,4-8H2,2-3H3/t11-,12-,13-,15+/m1/s1 SMILES C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)CC(=O)C[C@@H]2C=O MNX internals InChI (mnx) InChI=1/C15H22O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-13H,1,4-8H2,2-3H3/t11-,12-,13-,15+/m1/s1 SMILES (mnx) [CH2:1]=[C:10]([CH3:2])[C@@H:12]1[CH2:4][CH2:5][C@:15]2([CH2:8]1)[C@H:11]([CH3:3])[CH2:6][C:14](=[O:17])[CH2:7][C@@H:13]2[CH:9]=[O:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0