octaketide SEK4

Properties Image MNX_ID MNXM12512 reference metacycM:CPD-11555 formula C16H13O7 global charge -1 mol weight 317.273 InChIKey WFNZGUNBSCUXFX-UHFFFAOYSA-M InChI InChI=1S/C16H14O7/c1-16(21)7-12(19)15-8(2-9(17)5-13(15)23-16)3-11-4-10(18)6-14(20)22-11/h2,4-6,17-18,21H,3,7H2,1H3/p-1 SMILES CC1(O)CC(=O)C2=C(CC3=CC([O-])=CC(=O)O3)C=C(O)C=C2O1 MNX internals InChI (mnx) InChI=1/C16H14O7/c1-16(21)7-12(19)15-8(2-9(17)5-13(15)23-16)3-11-4-10(18)6-14(20)22-11/h2,4-6,17-18,21H,3,7H2,1H3/t16? SMILES (mnx) [CH3:1][C:16]1([OH:21])[CH2:7][C:12](=[O:19])[C:15]2=[C:13]([CH:5]=[C:9]([OH:17])[CH:2]=[C:8]2[CH2:3][C:11]2=[CH:4][C:10]([OH:18])=[CH:6][C:14](=[O:20])[O:22]2)[O:23]1

Parent-child relations graph

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