71020546 -OEChem-03282411052D 39 39 0 0 0 0 0 0 0999 V2000 5.4641 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 18 1 0 0 0 0 3 16 2 0 0 0 0 4 17 2 0 0 0 0 5 18 2 0 0 0 0 6 23 1 0 0 0 0 6 39 1 0 0 0 0 7 23 2 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END > 71020546 > 1 > 499 > 7 > 1 > 9 > AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIyDoAABgCIAqDSCAACCAAkIAAIiAEGCMgNJjKENRqCeSCkwBEKuYeIzKDOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (Z)-2-methyl-4-oxo-4-[2-[4-(2-oxopropanoyl)phenoxy]ethoxy]but-2-enoic acid > (Z)-4-[2-[4-(1,2-dioxopropyl)phenoxy]ethoxy]-2-methyl-4-oxo-2-butenoic acid > (Z)-2-methyl-4-oxo-4-[2-[4-(2-oxopropanoyl)phenoxy]ethoxy]but-2-enoic acid > (Z)-2-methyl-4-oxo-4-[2-[4-(2-oxopropanoyl)phenoxy]ethoxy]but-2-enoic acid > (Z)-2-methyl-4-oxidanylidene-4-[2-[4-(2-oxidanylidenepropanoyl)phenoxy]ethoxy]but-2-enoic acid > (Z)-4-keto-2-methyl-4-[2-(4-pyruvoylphenoxy)ethoxy]but-2-enoic acid > InChI=1S/C16H16O7/c1-10(16(20)21)9-14(18)23-8-7-22-13-5-3-12(4-6-13)15(19)11(2)17/h3-6,9H,7-8H2,1-2H3,(H,20,21)/b10-9- > VYFNZSGXKBZQCG-KTKRTIGZSA-N > 1.3 > 320.08960285 > C16H16O7 > 320.29 > CC(=CC(=O)OCCOC1=CC=C(C=C1)C(=O)C(=O)C)C(=O)O > C/C(=C/C(=O)OCCOC1=CC=C(C=C1)C(=O)C(=O)C)/C(=O)O > 107 > 320.08960285 > 0 > 23 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 8 10 15 8 12 14 8 13 15 8 8 12 8 8 13 8 $$$$