HMDB0296381 RDKit 3D DG(20:0/0:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 126125 0 0 0 0 0 0 0 0999 V2000 14.0450 2.5352 1.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8565 3.1008 2.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6051 4.4547 1.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4890 4.8089 1.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3269 3.9131 1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0598 3.8658 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1092 2.7815 -1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4484 1.4534 -0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6298 0.8668 -1.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7054 -0.2351 -1.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6645 -1.1795 -2.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2705 -1.0218 -1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5196 -1.7789 -0.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0852 -2.9402 -0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4662 -4.2577 -0.5250 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5703 -4.6056 -1.8651 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 -4.4840 0.0348 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6702 -5.7825 0.0465 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8440 -3.8077 1.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4744 -4.0701 1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 -3.6772 0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -2.2545 0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2403 -1.9668 -0.6204 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 -1.2090 1.4926 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 0.1637 1.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 0.3826 0.5044 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8614 1.7236 0.1474 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9565 0.0303 1.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6212 0.2047 1.1757 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0712 -0.4997 0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7907 -1.3307 -0.5131 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3706 -0.3139 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 0.8091 0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3962 0.9752 0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6366 1.2878 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1412 1.4574 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8693 0.1978 -1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3799 0.3394 -1.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7161 0.6375 -2.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1241 0.7827 -3.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0748 -0.3256 -3.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4052 -0.9778 -1.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9546 -0.0488 -0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2252 0.6247 -1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8321 1.5488 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2491 0.8536 1.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2774 -0.2203 0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7032 -0.8990 2.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3272 0.0507 3.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5525 0.7318 2.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1308 3.0469 0.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0181 2.7706 2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0110 1.4521 1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2331 3.2245 3.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0229 2.4193 2.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4576 5.1641 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3734 5.8459 0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4222 4.5250 1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2921 3.0188 1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8047 4.8557 -0.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8870 2.8482 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5737 0.8213 -0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6389 1.6244 0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5687 1.4838 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7643 -0.5162 -2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6775 -1.3124 -3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0419 -2.2393 -1.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6644 -0.2046 -2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4538 -1.5006 -0.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9439 -2.7525 0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1668 -3.0033 -0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1080 -5.0592 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3638 -3.8217 -2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3880 -3.9599 -0.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2773 -6.3784 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5888 -4.1261 2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9519 -2.7032 1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3744 -3.4302 2.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 -5.1220 2.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3662 -3.9151 1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 -4.2962 0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0883 0.4110 0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3918 0.7621 2.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8254 -0.2234 -0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4349 1.8361 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1019 -1.0532 1.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1391 0.6353 2.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9116 -1.2580 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3806 0.0142 -1.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8296 0.6174 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 1.7531 0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8031 1.7621 0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8756 -0.0115 0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0951 2.1700 -1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2953 0.4098 -1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2892 1.6995 -2.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4644 2.3280 -0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4704 -0.6897 -1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7673 0.0461 0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6741 1.1727 -0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8249 -0.5780 -0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1901 1.6248 -2.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1805 -0.0978 -3.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1125 1.1226 -4.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5223 1.7305 -2.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0514 -0.0706 -3.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6707 -1.1520 -3.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3061 -1.6518 -2.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6864 -1.6570 -1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1477 -0.6649 0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2430 0.7439 -0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9414 -0.0786 -1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8750 1.2589 -2.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0531 2.3048 0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6496 2.0952 -0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3913 0.4507 1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7363 1.6213 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0829 0.1805 0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7757 -1.0057 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4341 -1.7195 1.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8291 -1.3665 2.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6584 -0.5215 3.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6400 0.8354 3.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2994 1.7162 2.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1238 0.0883 1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2301 0.9540 3.3196 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 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 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 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 1 16 73 1 0 17 74 1 6 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 25 82 1 0 25 83 1 0 26 84 1 6 27 85 1 0 28 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M END