HMDB0007335 RDKit 3D DG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/0:0) 108107 0 0 0 0 0 0 0 0999 V2000 17.9589 -0.8289 0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9455 0.2969 0.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3250 0.7214 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0516 0.6381 -0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1019 0.1118 0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4068 -1.0608 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1152 -1.0790 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2121 0.0313 0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4799 0.5254 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1803 0.4884 -1.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2992 -0.0285 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4087 1.1178 0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1121 1.0503 0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4145 -0.1310 -0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6401 0.1764 -1.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9616 -1.0488 -2.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9682 -1.6514 -1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -0.7581 -0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8029 -1.3182 -0.4789 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8377 0.5703 -1.2115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8811 1.5446 -1.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4209 1.7443 0.4010 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5597 2.2128 1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6107 1.3299 1.3039 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 0.5460 0.8358 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5731 0.4590 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2035 1.5003 0.7484 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 -0.7476 1.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 -0.6019 0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8211 -0.5610 -0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1064 -0.4050 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1973 -1.3547 -1.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8789 -1.6226 0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5352 -0.3479 0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2419 -0.6704 2.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5119 -0.5176 2.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4008 0.0108 1.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3900 -1.0350 0.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6728 -0.8501 0.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2854 0.3899 1.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2226 0.9629 0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3141 -0.0187 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2049 0.5773 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3246 -0.4009 -1.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4771 -1.7925 0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6811 -0.8071 1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5380 -0.5448 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6288 1.1794 1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3321 0.1533 1.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0273 1.1245 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6561 0.9685 -1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5525 -0.1661 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4130 0.9314 0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0024 -1.9471 -0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6531 -1.9900 -0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5256 -0.3412 0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7015 0.9008 0.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0882 0.9278 -2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7067 0.8756 -2.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8149 -0.3951 0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7254 -0.9161 -0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9015 2.0264 0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4610 1.9045 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9269 -1.0535 -0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5777 -0.3138 0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3778 0.5149 -2.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9586 1.0250 -1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7051 -1.8579 -2.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5017 -0.8283 -3.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 -1.8375 -0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 -2.6424 -1.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1735 2.5228 -1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0463 1.2298 -1.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 2.5685 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2813 2.5223 2.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9546 3.1425 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8483 1.1418 2.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 -0.8300 2.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -1.6732 0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 0.3855 1.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2642 -1.4453 1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 0.3011 -0.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2226 -1.4416 -0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4691 0.6576 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8627 -0.2553 -2.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0090 -1.0296 -1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8755 -2.3429 -1.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8015 -2.2493 -0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3952 -2.1752 0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6214 0.2628 1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0568 0.1904 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6060 -1.0689 2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9171 -0.7993 3.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8838 0.3612 0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8297 0.9471 1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9662 -2.0139 0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3643 -1.6819 0.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6908 1.2163 1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0243 0.1129 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5774 1.1311 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6711 1.8998 0.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8605 -0.2204 0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8470 -0.9147 -0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5909 0.7524 -1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6089 1.5256 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1533 -0.8280 -2.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2901 -1.2338 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3122 0.0832 -1.2736 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 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 26 27 2 0 26 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 16 69 1 0 17 70 1 0 17 71 1 0 21 72 1 0 21 73 1 0 22 74 1 6 23 75 1 0 23 76 1 0 24 77 1 0 28 78 1 0 28 79 1 0 29 80 1 0 29 81 1 0 30 82 1 0 30 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 44108 1 0 M END