5,6-epoxy-3-hydroxy-9-apo-beta-caroten-9-one

Properties Image MNX_ID MNXM102752 reference metacycM:CPD-7203 formula C13H20O3 global charge 0 mol weight 224.3 InChIKey VYKLRWGPNUVKNC-AATRIKPKSA-N InChI InChI=1S/C13H20O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,10,15H,7-8H2,1-4H3/b6-5+ SMILES CC(=O)/C=C/C12OC1(C)CC(O)CC2(C)C MNX internals InChI (mnx) InChI=1/C13H20O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,10,15H,7-8H2,1-4H3/b6-5+/t10?,12?,13? SMILES (mnx) [CH3:1][C:9](/[CH:5]=[CH:6]/[C:13]12[C:11]([CH3:2])([CH3:3])[CH2:7][CH:10]([OH:15])[CH2:8][C:12]1([CH3:4])[O:16]2)=[O:14]

Parent-child relations graph

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