3-hydroxylubimin

Properties Image MNX_ID MNXM8116 reference chebi:85160 formula C15H24O3 global charge 0 mol weight 252.354 InChIKey YIGYYGXJIDAEOF-OJVARPOJSA-N InChI InChI=1S/C15H24O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h8,10-14,17-18H,1,4-7H2,2-3H3/t10-,11-,12-,13-,14-,15+/m1/s1 SMILES C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)[C@@H](O)[C@H](O)C[C@@H]2C=O MNX internals InChI (mnx) InChI=1/C15H24O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h8,10-14,17-18H,1,4-7H2,2-3H3/t10-,11-,12-,13-,14-,15+/m1/s1 SMILES (mnx) [CH2:1]=[C:9]([CH3:2])[C@@H:11]1[CH2:4][CH2:5][C@:15]2([CH2:7]1)[C@H:10]([CH3:3])[C@@H:14]([OH:18])[C@H:13]([OH:17])[CH2:6][C@@H:12]2[CH:8]=[O:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0