hemigossypolone-6-methyl ether

Properties Image MNX_ID MNXM6286 reference metacycM:CPD-9750 formula C16H17O5 global charge -1 mol weight 289.307 InChIKey NHXUWASKMTXOKF-UHFFFAOYSA-M InChI InChI=1S/C16H18O5/c1-7(2)11-13-12(10(18)5-8(3)14(13)19)9(6-17)15(20)16(11)21-4/h6-8,20H,5H2,1-4H3/p-1 SMILES COC1=C([O-])C(C=O)=C2C(=O)CC(C)C(=O)C2=C1C(C)C MNX internals InChI (mnx) InChI=1/C16H18O5/c1-7(2)11-13-12(10(18)5-8(3)14(13)19)9(6-17)15(20)16(11)21-4/h6-8,20H,5H2,1-4H3/t8? SMILES (mnx) [CH3:1][CH:7]([CH3:2])[C:11]1=[C:13]2[C:12](=[C:9]([CH:6]=[O:17])[C:15]([OH:20])=[C:16]1[O:21][CH3:4])[C:10](=[O:18])[CH2:5][CH:8]([CH3:3])[C:14]2=[O:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 0