hederacine A

Properties Image MNX_ID MNXM105508 reference chebi:66007 formula C16H26N2O3 global charge 0 mol weight 294.395 InChIKey VESMUQGSQBZLLK-SQWIVPEQSA-N InChI InChI=1S/C16H26N2O3/c1-9(13(19)20)10-7-12-14(2)6-5-11(17)15(14,3)8-16(10,21)18(12)4/h11-12,21H,5-8,17H2,1-4H3,(H,19,20)/b10-9-/t11-,12+,14-,15-,16-/m1/s1 SMILES C/C(C(=O)O)=C1\C[C@@H]2N(C)[C@@]1(O)C[C@]1(C)[C@H](N)CC[C@]21C MNX internals InChI (mnx) InChI=1/C16H26N2O3/c1-9(13(19)20)10-7-12-14(2)6-5-11(17)15(14,3)8-16(10,21)18(12)4/h11-12,21H,5-8,17H2,1-4H3,(H,19,20)/b10-9-/t11-,12+,14-,15-,16-/m1/s1 SMILES (mnx) [CH3:1]/[C:9](=[C:10]1\[CH2:7][C@H:12]2[C@@:14]3([CH3:2])[CH2:6][CH2:5][C@@H:11]([NH2:17])[C@@:15]3([CH3:3])[CH2:8][C@:16]1([OH:21])[N:18]2[CH3:4])[C:13](=[O:19])[OH:20]

Parent-child relations graph

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