Peonidin 3-O-(6''-malonyl-glucoside) Mrv2104 06072104312D 39 42 0 0 1 0 999 V2000 0.7145 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -4.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 -4.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0012 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -4.5375 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 1 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 16 23 1 0 0 0 0 23 24 2 0 0 0 0 13 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 27 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 25 33 1 0 0 0 0 11 34 1 0 0 0 0 34 35 1 6 0 0 0 34 36 1 0 0 0 0 36 37 1 1 0 0 0 36 38 1 0 0 0 0 1 38 1 0 0 0 0 38 39 1 1 0 0 0 M CHG 1 23 1 M END