octaketide SEK4b

Properties Image MNX_ID MNXM12513 reference metacycM:CPD-11556 formula C16H13O7 global charge -1 mol weight 317.273 InChIKey PCNFFWATXFRKOF-UHFFFAOYSA-M InChI InChI=1S/C16H14O7/c1-8-2-9(17)4-13-15(8)12(19)7-16(21,23-13)6-11-3-10(18)5-14(20)22-11/h2-5,17-18,21H,6-7H2,1H3/p-1 SMILES CC1=C2C(=O)CC(O)(CC3=CC([O-])=CC(=O)O3)OC2=CC(O)=C1 MNX internals InChI (mnx) InChI=1/C16H14O7/c1-8-2-9(17)4-13-15(8)12(19)7-16(21,23-13)6-11-3-10(18)5-14(20)22-11/h2-5,17-18,21H,6-7H2,1H3/t16? SMILES (mnx) [CH3:1][C:8]1=[CH:2][C:9]([OH:17])=[CH:4][C:13]2=[C:15]1[C:12](=[O:19])[CH2:7][C:16]([CH2:6][C:11]1=[CH:3][C:10]([OH:18])=[CH:5][C:14](=[O:20])[O:22]1)([OH:21])[O:23]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0