HMDB0299910 RDKit 3D DG(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/0:0/i-19:0) 123122 0 0 0 0 0 0 0 0999 V2000 -17.0379 3.5582 -0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8083 2.3292 0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8326 1.1264 -0.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6143 -0.1670 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3088 -0.2397 0.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1022 -0.0985 0.0318 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.1353 -1.1395 -0.9031 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9010 -0.2873 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7943 0.4288 0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6996 0.1503 1.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5360 0.7728 1.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2183 1.8057 0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1811 1.7285 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4023 0.7376 -0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4173 -0.5313 0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5123 -1.4769 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5573 -2.7555 0.3813 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3484 -2.7005 1.5598 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3165 -3.4747 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3073 -2.8563 1.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6851 -1.6398 0.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9731 -2.0478 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3971 -1.9932 -1.4103 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6732 -2.5562 -0.1019 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 -2.9694 -1.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3761 -3.4945 -0.8406 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1935 -3.9306 -1.8996 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1283 -2.6318 0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7046 -1.5358 -0.4678 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2555 -0.3857 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 -0.1603 -0.8865 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0654 0.6878 -1.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4685 0.3074 -1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2981 -0.0455 -0.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7055 -0.4652 -1.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4171 0.6339 -1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8335 0.2256 -2.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6754 -0.1138 -0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8474 1.0521 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 2.2223 -0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8464 1.8870 -1.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8633 1.4073 -0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0798 2.4785 0.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9905 2.2681 1.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4153 2.0290 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8400 0.8067 1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4089 0.7190 1.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8066 -0.5334 0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7826 0.6684 2.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7263 4.4950 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5515 3.3869 -1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1402 3.6713 -0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6063 2.2499 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7942 2.4146 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1536 1.2915 -1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8746 1.0930 -0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7865 -0.9946 -0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4223 -0.2450 0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3423 0.4980 1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2612 -1.2383 1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0667 0.8383 -0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1235 -1.9866 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9557 -1.0373 1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8051 1.1441 -0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7915 -0.6194 2.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7864 0.5194 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1565 2.1610 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0421 2.7784 1.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0502 2.6890 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6490 0.8942 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0983 -0.8504 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8728 -1.1767 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1684 -3.4466 -0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5221 -3.6466 1.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7743 -3.8091 -0.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5837 -4.4818 1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 -3.6117 1.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6338 -2.7195 2.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3796 -0.8269 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9095 -1.2739 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5894 -3.8591 -1.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9445 -2.2494 -2.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1377 -4.4968 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8887 -4.7770 -2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3636 -2.3057 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8825 -3.2745 0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9922 1.6492 -1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 0.9057 -2.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4259 -0.5676 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9031 1.1248 -2.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4186 0.8229 -0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8472 -0.9110 -0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1989 -0.6556 -0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 -1.4214 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8469 0.8682 -2.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5229 1.5515 -1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2427 1.0710 -2.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7498 -0.7026 -2.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6614 -0.5412 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1690 -0.9226 -0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8536 1.3742 0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4280 0.6971 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5704 3.0647 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8032 2.5814 -1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8294 1.0778 -2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3158 2.7618 -1.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7197 1.1037 -0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4364 0.4674 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4230 3.4018 0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0733 2.8641 1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5710 1.3448 2.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8606 3.1191 2.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8649 2.9460 1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8844 2.0683 2.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4069 -0.0853 1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6267 0.7876 -0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7825 1.6180 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0621 -1.3247 0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7558 -0.3209 -0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8344 -0.8591 0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8920 1.7230 2.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9565 0.1997 3.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7478 0.1203 2.6877 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 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 6 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 15 71 1 0 16 72 1 0 17 73 1 6 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 25 81 1 0 25 82 1 0 26 83 1 1 27 84 1 0 28 85 1 0 28 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 M END