HMDB0039264 RDKit 3D Heterophylliin A 82 87 0 0 0 0 0 0 0 0999 V2000 3.1249 -2.9940 -2.0924 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9046 -2.8785 -1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4913 -2.1145 -0.0393 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2295 -1.4724 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4177 -1.8957 1.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5264 -0.9740 1.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7992 -1.6571 1.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4462 -1.9048 0.6475 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6828 -2.4376 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -3.6874 -0.0693 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0142 -1.8791 0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8062 -2.6087 1.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1176 -2.3346 1.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8290 -3.1120 2.6479 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7045 -1.2711 1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0609 -0.9679 1.3536 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9922 -0.5262 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6913 0.5082 -0.4082 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6254 -0.8197 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0639 0.0841 -1.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9716 0.9386 -1.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6862 1.7567 -2.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 1.7384 -3.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0928 2.5730 -4.4252 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5095 0.8977 -3.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2605 0.8940 -4.5888 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8064 0.0996 -2.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9295 -0.7566 -2.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0667 1.1688 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1233 2.4006 0.4785 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 0.3984 0.7045 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 -0.1447 0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1579 0.7871 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2524 1.8862 0.8206 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0986 3.1701 0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8809 3.3135 -0.9248 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1901 4.3416 1.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4372 4.2422 2.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5116 5.3959 3.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7577 5.3367 4.6157 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3469 6.6519 2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4378 7.7503 3.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1009 6.7572 1.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9296 7.9896 0.7297 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0254 5.5848 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4707 0.0181 -0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 0.5075 0.9446 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1939 -3.5413 -1.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1179 -3.4764 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3389 -4.1055 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2851 -4.0583 0.8009 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6427 -4.8381 -1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8663 -5.4860 -1.4206 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7442 -4.9220 -2.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0301 -5.6546 -3.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5249 -4.2772 -2.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.7279 -0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8831 -0.3155 2.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3707 -0.9189 2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4819 -2.4862 2.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4028 -3.4964 1.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3751 -3.8853 3.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5474 -1.5462 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6310 0.7372 -0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 2.4694 -2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6905 2.5062 -5.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0537 0.3586 -4.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4802 -0.7827 -3.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1352 -0.8719 -0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9689 1.1581 -1.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5622 3.2569 2.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8772 4.4290 5.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3214 8.6720 3.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9647 8.8643 1.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8293 5.7066 -0.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9674 0.2127 -1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6855 -0.1522 1.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8987 -2.9080 0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1972 -3.5708 1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1223 -6.0254 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3757 -5.7241 -4.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8251 -4.3547 -3.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 21 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 2 0 41 42 1 0 41 43 1 0 43 44 1 0 43 45 2 0 33 46 1 0 46 47 1 0 2 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 50 52 2 0 52 53 1 0 52 54 1 0 54 55 1 0 54 56 2 0 46 4 1 0 56 48 1 0 32 6 1 0 45 37 1 0 19 11 1 0 27 20 1 0 4 57 1 0 6 58 1 0 7 59 1 0 7 60 1 0 12 61 1 0 14 62 1 0 16 63 1 0 18 64 1 0 22 65 1 0 24 66 1 0 26 67 1 0 28 68 1 0 32 69 1 0 33 70 1 0 38 71 1 0 40 72 1 0 42 73 1 0 44 74 1 0 45 75 1 0 46 76 1 0 47 77 1 0 49 78 1 0 51 79 1 0 53 80 1 0 55 81 1 0 56 82 1 0 M END