HMDB0259139 RDKit 3D triacetylresveratrol 44 45 0 0 0 0 0 0 0 0999 V2000 8.6478 1.5222 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2062 1.2303 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7039 1.5585 -1.1773 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 0.6406 0.8679 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0627 0.3666 0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1113 1.2876 1.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7503 1.0632 0.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3185 -0.1302 0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8779 -0.4372 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0743 0.4022 0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4682 0.0582 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4304 1.0039 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7565 0.7066 0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6848 1.6753 0.8961 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1423 2.6447 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1406 3.6612 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7169 2.6671 -1.1523 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1436 -0.5202 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 -1.4746 -0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -2.6808 -0.8946 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9363 -3.7995 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3941 -5.0391 -0.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7822 -3.6900 1.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8788 -1.1480 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2684 -1.0801 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6071 -0.8230 0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2115 0.9663 -0.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0323 1.2362 1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7611 2.6276 -0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4121 2.2390 1.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0309 1.8345 1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6808 -1.4222 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1623 1.3656 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 1.9524 1.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1394 3.2442 0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9847 4.6211 -0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0146 3.7494 1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1907 -0.6987 -0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3677 -4.7951 -1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6836 -5.2030 -1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4318 -5.9023 -0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 -1.9171 -0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9404 -2.0111 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3838 -1.5526 -0.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 2 0 13 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 2 0 19 24 2 0 8 25 1 0 25 26 2 0 26 5 1 0 24 11 1 0 1 27 1 0 1 28 1 0 1 29 1 0 6 30 1 0 7 31 1 0 9 32 1 0 10 33 1 0 12 34 1 0 16 35 1 0 16 36 1 0 16 37 1 0 18 38 1 0 22 39 1 0 22 40 1 0 22 41 1 0 24 42 1 0 25 43 1 0 26 44 1 0 M END