17-Hydroxylupanine

Properties Image MNX_ID MNXM1371830 reference seedM:cpd21466 formula C15H25N2O2 global charge 1 mol weight 265.377 InChIKey LCORZQTZVFOPGT-BVIXPPBVSA-O InChI InChI=1S/C15H24N2O2/c18-14-6-3-5-13-11-8-10(9-17(13)14)12-4-1-2-7-16(12)15(11)19/h10-13,15,19H,1-9H2/p+1/t10-,11-,12-,13+,15?/m0/s1 SMILES O=C1CCC[C@@H]2[C@@H]3C[C@@H](CN12)[C@@H]1CCCC[NH+]1C3O MNX internals InChI (mnx) InChI=1/C15H24N2O2/c18-14-6-3-5-13-11-8-10(9-17(13)14)12-4-1-2-7-16(12)15(11)19/h10-13,15,19H,1-9H2/t10-,11-,12-,13+,15?/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH2:7][N:16]2[C@@H:12]([CH2:4]1)[C@H:10]1[CH2:8][C@@H:11]([C@H:13]3[CH2:5][CH2:3][CH2:6][C:14](=[O:18])[N:17]3[CH2:9]1)[CH:15]2[OH:19]

Parent-child relations graph

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