HMDB0041203 RDKit 3D Ginsenoyne A linoleate 90 90 0 0 0 0 0 0 0 0999 V2000 -10.2589 5.7952 -1.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1606 5.0361 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3582 4.3069 -0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0339 2.8034 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1796 2.0005 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9509 0.5396 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9304 0.0210 1.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5178 0.4513 1.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7592 -0.3302 2.0677 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7745 1.1452 2.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4263 1.7383 1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5363 0.6575 1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8273 -0.2339 0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0136 -1.2946 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -2.2067 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 -3.3304 -0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1048 -3.7928 -2.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6464 -4.8699 -2.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1799 -3.0377 -0.7889 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2369 -3.7286 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7057 -4.6283 0.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2308 -3.4455 -0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9073 -4.3810 0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4235 -4.1952 0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0258 -4.4435 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 -4.2770 -0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9063 -2.8981 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4155 -2.7224 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6940 -1.3057 0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3805 -0.4797 -0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6570 0.9225 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1399 1.1717 0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6953 1.5392 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0955 1.8304 1.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0780 1.8067 0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8943 2.8622 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9983 4.2674 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8039 5.2499 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2066 5.8712 -2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4146 6.3526 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0 0 0 0 0 0 0 0 0.6029 -3.5181 -1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7231 -5.4544 0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5658 -4.2485 1.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8172 -4.8969 1.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5892 -3.1139 1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8173 -5.4606 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6303 -3.6548 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8879 -4.4769 -1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9839 -5.0229 0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5179 -2.1471 -0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5223 -2.6512 0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8943 -3.3793 0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8554 -2.9235 -0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3441 -0.9242 1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7230 -0.8735 -1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 1.1266 1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1814 1.5962 -0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7061 1.0093 -0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9685 1.6358 2.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1302 2.8485 2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4434 1.0632 2.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1477 1.8007 0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0085 0.8214 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7943 2.7888 -1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 2.7440 -1.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0064 4.3860 0.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2480 4.4207 0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8392 5.0965 -1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6609 5.1510 -1.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8073 6.2750 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 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 3 0 13 14 1 0 14 15 3 0 15 16 1 0 16 17 1 0 17 18 2 3 16 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 10 8 1 0 1 39 1 0 1 40 1 0 2 41 1 0 3 42 1 0 3 43 1 0 4 44 1 0 4 45 1 0 5 46 1 0 5 47 1 0 6 48 1 0 6 49 1 0 7 50 1 0 7 51 1 0 8 52 1 0 10 53 1 0 11 54 1 0 11 55 1 0 16 56 1 0 17 57 1 0 18 58 1 0 18 59 1 0 22 60 1 0 22 61 1 0 23 62 1 0 23 63 1 0 24 64 1 0 24 65 1 0 25 66 1 0 25 67 1 0 26 68 1 0 26 69 1 0 27 70 1 0 27 71 1 0 28 72 1 0 28 73 1 0 29 74 1 0 30 75 1 0 31 76 1 0 31 77 1 0 32 78 1 0 33 79 1 0 34 80 1 0 34 81 1 0 35 82 1 0 35 83 1 0 36 84 1 0 36 85 1 0 37 86 1 0 37 87 1 0 38 88 1 0 38 89 1 0 38 90 1 0 M END