HMDB0033999 RDKit 3D Dattelic acid 40 41 0 0 0 0 0 0 0 0999 V2000 0.5529 -1.0791 -2.3671 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0441 -0.5965 -1.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4079 -0.7340 -1.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -0.2633 -0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4966 -0.3728 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3437 -0.9747 -0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7035 -1.0271 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2517 -0.4927 0.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6236 -0.5677 0.9098 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3806 0.1139 1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8851 0.6671 2.7017 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0358 0.1730 1.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8279 0.0362 -0.3794 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2085 0.1328 -0.5937 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9696 -0.4776 0.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3601 -0.0225 0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -0.6169 1.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3998 -0.2661 1.8807 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6585 -1.5705 2.5749 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9233 0.8985 -0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1037 1.5081 -1.1953 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1051 0.6113 -2.2849 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6724 1.5698 -0.7053 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8985 2.3234 -1.5603 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9868 -1.2308 -1.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4133 0.2331 0.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9669 -1.4112 -1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3204 -1.5217 -1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9602 -0.1597 1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3007 1.1243 3.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3577 0.6623 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4858 -0.3473 -1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8913 -1.5807 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3989 -0.2302 1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9402 -2.5562 2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9710 1.1696 0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 2.5029 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6621 -0.1773 -2.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7123 2.0570 0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0159 2.4930 -1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 2 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 16 20 2 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 12 5 1 0 23 14 1 0 3 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 9 29 1 0 11 30 1 0 12 31 1 0 14 32 1 6 15 33 1 0 15 34 1 0 19 35 1 0 20 36 1 0 21 37 1 6 22 38 1 0 23 39 1 1 24 40 1 0 M END