Crotanecine

Properties Image MNX_ID MNXM47819 reference chebi:3925 formula C8H13NO3 global charge 0 mol weight 171.196 InChIKey VMWCRDCGNVMCGJ-BWZBUEFSSA-N InChI InChI=1S/C8H13NO3/c10-4-5-1-2-9-3-6(11)8(12)7(5)9/h1,6-8,10-12H,2-4H2/t6-,7-,8-/m1/s1 SMILES OCC1=CCN2C[C@@H](O)[C@@H](O)[C@@H]12 MNX internals InChI (mnx) InChI=1/C8H13NO3/c10-4-5-1-2-9-3-6(11)8(12)7(5)9/h1,6-8,10-12H,2-4H2/t6-,7-,8-/m1/s1 SMILES (mnx) [CH:1]1=[C:5]([CH2:4][OH:10])[C@@H:7]2[C@H:8]([OH:12])[C@H:6]([OH:11])[CH2:3][N:9]2[CH2:2]1

Parent-child relations graph

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