HMDB0034637 RDKit 3D Phytolaccoside E 124130 0 0 0 0 0 0 0 0999 V2000 -8.6813 4.2554 -2.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9108 3.2376 -1.4125 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9035 2.4516 -0.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7329 2.6483 -1.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1071 1.3789 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6984 2.0604 1.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0724 0.4037 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6233 -0.7572 -1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4391 -1.3895 -0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0619 -1.8348 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2478 -3.1088 0.8524 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4969 -1.1403 1.8517 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7198 -2.4216 -1.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5273 -3.0593 -0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6241 -2.0364 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1060 -2.1277 1.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0616 -0.7855 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2395 -0.2899 -1.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9259 -0.8256 -1.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2706 -1.4201 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3558 -0.4196 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 0.7912 0.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5089 0.1576 -1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7881 0.7403 -0.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 2.0518 -0.2355 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 -0.1420 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 0.7623 0.7637 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8435 0.6382 0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 1.7935 -0.2653 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4518 1.4816 -0.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5626 1.0599 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6196 1.8614 -0.2676 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7894 1.2848 -0.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7068 1.5363 0.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 1.6751 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9893 1.3532 1.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2667 1.5166 0.5834 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3258 0.8645 -1.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0125 -0.4784 -1.1413 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5494 1.3850 -2.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2400 0.3540 -3.3644 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2447 1.9536 -1.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4603 3.3336 -1.7671 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0511 1.0828 1.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9781 0.3614 2.1735 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7410 0.3507 1.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9538 -1.0282 1.6823 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9115 -1.0195 1.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5284 -2.4240 0.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4076 -0.5982 2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1107 0.7248 2.6945 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5412 -0.9929 1.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9911 -2.4638 1.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5122 -2.4720 1.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1669 -2.2830 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0603 -3.7175 -0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4264 -0.2419 -0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7511 0.8200 0.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2828 5.1175 -1.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0341 3.8742 -3.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7035 4.5326 -2.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8193 1.9322 1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2946 1.5597 2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4372 3.1417 1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7677 0.9869 -1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8138 0.0282 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3544 -0.5071 -2.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4636 -1.4810 -1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9616 -1.0804 2.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3987 -3.2384 -1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3703 -1.9379 -2.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9179 -3.8298 0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0239 -3.5747 -1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7298 -3.0701 1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5564 -1.2264 2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3097 -2.3423 2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5894 0.6433 -1.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3863 -0.0758 -2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0729 -1.6411 -2.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4703 -2.0933 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3335 1.5846 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7721 1.2293 -0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5845 0.6774 1.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0467 1.0393 -1.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3674 -0.5888 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3362 0.8800 -1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6182 2.4279 -0.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3128 -0.7222 -0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8975 -0.2073 -0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2143 0.6609 -1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 2.3696 -1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 0.0132 -0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7920 0.2065 -0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1774 2.7381 -0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8313 2.0425 1.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8208 0.3278 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4708 2.4965 0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4196 0.9220 -1.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7940 -0.9209 -0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1154 2.1638 -3.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6087 0.7569 -4.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5021 1.8745 -2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4994 3.8016 -2.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9006 2.1023 1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5615 0.0807 3.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1781 0.7025 2.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 -1.2720 2.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -2.2143 0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4041 -3.0447 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3092 -2.8736 -0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7569 -1.1761 3.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4199 -0.9207 2.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8562 1.3048 2.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9251 -0.5725 2.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6425 -2.9898 0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5662 -2.7999 2.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6217 -1.6102 2.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6768 -3.4659 1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 -3.7150 -1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8249 -4.3844 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1068 -4.2175 -0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6472 0.3096 -1.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0296 1.6731 0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7639 0.7002 1.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 35 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 31 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 48 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 17 57 1 0 57 58 1 0 58 5 1 0 57 9 1 0 55 15 1 0 55 20 1 0 52 21 1 0 46 28 1 0 42 33 1 0 1 59 1 0 1 60 1 0 1 61 1 0 6 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 16 74 1 0 16 75 1 0 16 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 22 81 1 0 22 82 1 0 22 83 1 0 23 84 1 0 23 85 1 0 24 86 1 0 25 87 1 0 26 88 1 0 28 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 33 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 38 98 1 0 39 99 1 0 40100 1 0 41101 1 0 42102 1 0 43103 1 0 44104 1 0 45105 1 0 46106 1 0 47107 1 0 49108 1 0 49109 1 0 49110 1 0 50111 1 0 50112 1 0 51113 1 0 52114 1 0 53115 1 0 53116 1 0 54117 1 0 54118 1 0 56119 1 0 56120 1 0 56121 1 0 57122 1 0 58123 1 0 58124 1 0 M END