HMDB0260523 RDKit 3D MG(0:0/20:4(5Z,8Z,11Z,13E)-OH(15S)/0:0) 66 65 0 0 0 0 0 0 0 0999 V2000 9.9738 1.5383 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 1.6055 -1.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8603 0.4662 -1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 0.6554 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4403 -0.4542 0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 -0.4994 -0.3898 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5942 0.7264 -0.2892 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3617 -1.6135 0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1186 -1.3372 0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2668 -2.4041 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0487 -2.2684 1.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2332 -1.0842 1.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7235 0.2346 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3592 1.0768 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6557 0.9288 -0.7825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3959 -0.2913 -0.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7014 -0.3879 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6064 0.7217 -0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6186 0.9535 -1.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4447 -0.2746 -1.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1652 -0.6221 -0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7566 -1.3593 0.3513 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4421 -0.0716 -0.3742 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1923 -0.3547 0.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5431 -0.9631 0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3904 -2.1572 -0.2538 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4191 0.9580 1.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2193 1.5406 1.8513 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2211 0.4846 -0.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6933 2.0325 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8632 2.0600 -1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1773 1.4215 -2.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2662 2.5601 -1.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3235 -0.5188 -1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9739 0.5733 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2248 0.6690 0.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7879 1.6235 0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1488 -0.4164 1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9692 -1.4478 0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 -0.6726 -1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 1.0279 -1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7141 -2.6116 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 -0.3261 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7249 -3.4378 0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5592 -3.2589 1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8246 -1.3078 1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 -1.0892 2.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5172 0.6459 1.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8935 2.0821 0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3553 1.8333 -0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0709 1.1626 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 -1.2151 -1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1421 -1.3999 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1666 1.6455 -0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 0.3576 0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3246 1.7591 -1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 1.3509 -2.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2230 -0.0586 -2.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8101 -1.1232 -2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6456 -1.0342 1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1893 -0.2446 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0218 -1.2216 1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5539 -1.9207 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1162 0.8511 2.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9197 1.6330 0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9795 2.2679 1.2474 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 6 7 41 1 0 8 42 1 0 9 43 1 0 10 44 1 0 11 45 1 0 12 46 1 0 12 47 1 0 13 48 1 0 14 49 1 0 15 50 1 0 15 51 1 0 16 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 19 57 1 0 20 58 1 0 20 59 1 0 24 60 1 0 25 61 1 0 25 62 1 0 26 63 1 0 27 64 1 0 27 65 1 0 28 66 1 0 M END