HMDB0300431 RDKit 3D DG(20:4(5Z,7E,11Z,14Z)-OH(9)/i-22:0/0:0) 131130 0 0 0 0 0 0 0 0999 V2000 -19.4977 -2.3149 -1.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8270 -1.6043 -0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7658 -2.5162 -0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0235 -1.9375 0.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3496 -0.6429 0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5870 -0.0218 1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3063 0.1938 1.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4607 -0.1585 0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4243 -1.0845 0.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1494 -0.8393 0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6253 0.4058 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7673 0.1206 -1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5450 -0.5487 -2.0491 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3101 1.4172 -1.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2190 2.0195 -1.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3233 1.4654 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2116 2.0960 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2435 1.6053 1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8947 1.4056 0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3715 2.6876 -0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0282 2.4412 -0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 2.7166 -0.1486 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 1.9043 -2.0156 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8336 1.5740 -2.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0829 0.5205 -2.2039 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8272 -0.6816 -1.9281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1468 -1.7095 -1.3293 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6249 1.0114 -1.0016 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 1.0451 -0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7932 0.5919 -1.4441 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4135 1.6048 0.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4044 0.5764 1.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1905 -0.6410 1.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6402 -0.7148 1.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5041 -0.0899 2.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5109 1.3817 2.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 2.0228 1.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 1.6276 1.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4213 2.0659 2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8380 1.6475 1.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0148 0.1572 1.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4619 -0.2079 1.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5616 -1.7079 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7772 -2.3450 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9636 -1.9894 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2670 -2.1611 -1.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3879 -1.3162 -1.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6446 -1.6255 -1.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8040 -0.7827 -1.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5210 0.6858 -1.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0909 -1.1738 -2.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8076 -2.2457 -2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.4262 -1.7465 -2.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7481 -3.3607 -1.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6308 -1.4428 -0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4335 -0.6510 -1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0328 -2.7094 -1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1855 -3.5148 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7096 -1.7376 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2801 -2.6809 1.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2330 0.0582 0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8773 -0.7503 -0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1784 0.2716 2.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8001 0.6646 2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0964 0.8030 -0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0542 -0.6020 -0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7651 -2.0306 1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4435 -1.6104 1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8393 0.7613 0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2849 1.2468 0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9237 -0.4930 -0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8200 0.1329 -2.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9677 1.8725 -2.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9589 2.9810 -1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5493 0.5267 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0237 3.0533 -0.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6342 0.6440 1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0955 2.3562 1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1623 0.9388 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0542 0.6626 -0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0129 3.0277 -1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2642 3.4523 0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2377 2.5351 -2.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1066 1.3275 -3.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 0.1594 -2.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4079 -0.9870 -2.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5734 -0.3064 -1.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2966 -2.5363 -1.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6264 2.3789 0.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2908 2.2142 0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2697 0.2735 1.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4945 1.0148 2.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7236 -1.2482 0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9186 -1.3663 2.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9166 -1.8248 1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -0.4950 0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5565 -0.4222 2.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2440 -0.5282 3.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5623 1.8966 2.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1465 1.6656 3.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8857 3.0944 1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5079 1.5597 0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8196 2.1588 0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5565 0.5577 0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4544 3.1938 2.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 1.7457 3.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5526 2.0084 2.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2106 2.0804 0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7465 -0.2842 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3906 -0.3021 1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7248 0.2720 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1356 0.1217 2.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9908 -2.0371 2.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5412 -2.1390 1.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6790 -2.3197 0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9955 -3.4681 0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6216 -0.9262 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1835 -2.5941 -1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5908 -3.2601 -1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1835 -1.9252 -2.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1341 -0.2352 -1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5567 -1.4434 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4184 -1.3552 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8555 -2.6960 -1.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9000 -1.0074 -0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4296 1.2772 -1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1974 0.8889 -2.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7574 0.9986 -0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8744 -1.4047 -1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9688 -2.0263 -2.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5265 -0.3388 -2.7613 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 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 26 27 1 0 25 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 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 49 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 0 24 84 1 0 25 85 1 6 26 86 1 0 26 87 1 0 27 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 51131 1 0 M END