Vanillic acid 4-O-glucuronide Mrv2104 09152311532D 24 25 0 0 0 0 999 V2000 0.3658 0.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3692 0.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7961 0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8393 1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 1.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4124 1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2795 1.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4881 0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4449 -0.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2232 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2363 2.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5087 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5087 -1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 -1.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0801 -1.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0801 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 -2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0801 -2.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5087 -2.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2232 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2232 0.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 1.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 4 9 1 0 0 0 0 8 12 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 15 22 1 0 0 0 0 14 23 1 0 0 0 0 19 21 1 0 0 0 0 13 24 1 0 0 0 0 18 1 1 0 0 0 0 M END