HMDB0039937 RDKit 3D Pipercitine 68 68 0 0 0 0 0 0 0 0999 V2000 6.1837 0.2270 3.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 -0.3168 2.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1831 0.8490 1.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6287 0.3966 0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4589 -0.1622 -0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4155 0.8808 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 0.4121 -1.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -0.7339 -0.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4115 -1.4441 -1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 -0.7868 -1.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 0.1854 -2.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0378 0.9847 -3.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 0.3206 -3.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9555 -0.4170 -2.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2356 0.6114 -1.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9098 -0.1876 -0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1506 0.1044 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7758 -0.6872 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1369 -1.6467 1.7172 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0797 -0.3780 1.6604 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7949 0.7084 1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2756 0.6642 1.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7096 0.1178 2.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1519 -1.2941 2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6545 -1.1701 2.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9071 -0.6116 4.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3899 0.9609 3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 0.7945 4.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3173 -1.1250 2.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7300 -0.7327 1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4694 1.6790 1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0993 1.2203 2.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0138 1.3273 -0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 -0.3457 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1482 -1.1186 -0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7785 -0.4345 -1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 1.2529 0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 1.7566 -1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5533 1.3607 -1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4438 0.2804 -2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3794 -1.5279 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.4774 0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7676 -2.0595 -2.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1188 -2.3113 -0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5121 -1.7016 -2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5471 -0.4876 -0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0071 0.8948 -2.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3363 -0.4429 -3.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 1.5892 -4.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 1.8348 -2.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0483 1.0518 -3.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1488 -0.4021 -4.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -0.7646 -2.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4657 -1.2407 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9342 1.3726 -1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3199 1.0833 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4332 -1.0290 0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6303 0.9315 -0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5763 0.6409 -0.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3715 1.7039 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6606 1.6882 1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7324 0.0301 0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2863 0.7143 3.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8076 0.0818 2.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4900 -1.8423 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5623 -1.8339 3.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3022 -0.8694 3.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2627 -2.2199 2.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 20 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 17 58 1 0 21 59 1 0 21 60 1 0 22 61 1 0 22 62 1 0 23 63 1 0 23 64 1 0 24 65 1 0 24 66 1 0 25 67 1 0 25 68 1 0 M END