HMDB0008242 RDKit 3D PC(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)) 138137 0 0 0 0 0 0 0 0999 V2000 0.0667 0.5108 -4.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9544 1.3637 -5.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0464 0.8954 -7.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7998 1.5996 -8.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3736 3.0221 -8.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 3.1472 -8.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9931 3.6779 -8.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2379 4.2940 -7.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3499 3.6630 -6.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3571 3.1901 -5.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1585 3.2174 -4.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4814 4.0496 -3.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8147 5.1214 -2.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6572 5.6385 -3.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5113 5.7757 -2.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9298 4.5686 -1.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3763 3.4066 -2.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7676 2.2698 -1.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7248 2.4194 -0.5401 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1601 1.1008 -2.3439 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5491 -0.0647 -1.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4881 -0.7695 -0.9667 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1718 -2.0194 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -2.7824 0.3811 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2622 -4.1363 0.8637 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2748 -5.1237 1.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3691 -3.7242 2.0473 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.9532 -4.8490 -0.4823 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1923 -5.4375 -0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6456 -5.9926 -1.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9110 -6.6458 -1.5695 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.9325 -5.6382 -1.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0259 -7.5968 -2.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1989 -7.3379 -0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9899 0.0270 0.0789 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 0.2089 0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.3756 -0.5646 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9858 1.0230 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4641 1.0248 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2322 -0.2044 1.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1727 -1.1040 2.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8358 -1.6818 2.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8944 -2.6786 4.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 -3.2378 4.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4851 -2.2097 4.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0491 -1.5681 6.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -0.5151 6.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5554 0.7176 6.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8191 1.1282 6.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5228 1.6403 7.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9303 1.9966 7.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 2.4950 8.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1418 2.8259 8.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 3.3114 9.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3835 3.6095 8.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0117 2.3930 7.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2411 -0.5549 -5.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0793 0.6178 -5.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0693 0.8489 -3.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7523 2.4193 -5.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9329 1.1070 -5.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3588 -0.1639 -7.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9126 1.1183 -9.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4065 3.4429 -7.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1402 3.6069 -8.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 2.7103 -9.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8698 3.6600 -9.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3507 4.3349 -6.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 5.3622 -7.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3293 3.5872 -6.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 2.7416 -4.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 2.1536 -3.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 3.3815 -4.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3188 3.7347 -2.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1331 5.6896 -1.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9273 6.6715 -3.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3477 5.0626 -4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2677 6.5616 -1.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4222 6.1656 -3.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1607 4.2419 -1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8121 4.8632 -1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 3.0690 -3.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 3.6194 -3.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4318 0.1998 -1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0616 -0.7707 -2.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -1.1551 -1.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5263 -2.6395 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0452 -1.7436 0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0424 -6.3225 0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9065 -4.7806 0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8924 -6.7347 -1.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6007 -5.1571 -2.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4791 -4.7020 -2.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4807 -5.4160 -0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6797 -5.9746 -2.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8639 -8.2838 -2.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3253 -7.0110 -3.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0714 -8.1276 -2.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2265 -7.7856 -0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5205 -8.2104 -0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2740 -6.6780 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7231 2.1058 0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4703 0.9933 2.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8094 1.5408 0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8513 1.7559 2.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -0.7964 0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3401 0.1240 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6737 -0.7123 3.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 -2.0037 2.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0346 -1.0013 3.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5393 -2.3117 2.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6176 -3.4971 3.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 -2.1512 4.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1708 -3.8899 3.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -3.9442 5.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -2.8012 4.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7517 -1.5046 3.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0114 -1.3550 6.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2038 -2.4224 6.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 -0.8285 6.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 1.4840 7.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4665 0.4666 5.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7455 2.0690 5.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4548 0.9439 8.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0173 2.5860 8.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9314 2.7244 6.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4664 1.0846 6.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8179 1.7570 9.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 3.4432 8.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6007 1.9036 7.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1641 3.5956 7.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 2.5085 9.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 4.2428 9.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3367 4.4130 7.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0877 3.9929 9.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6565 1.4566 8.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1124 2.4139 8.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8187 2.3982 6.8043 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 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 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 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 21 85 1 0 22 86 1 6 23 87 1 0 23 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 32 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 34101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 M CHG 2 27 -1 31 1 M END