HMDB0007928 RDKit 3D PC(14:1(9Z)/P-16:0) 121120 0 0 0 0 0 0 0 0999 V2000 12.2622 -5.2654 -2.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7348 -4.7601 -0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7139 -5.0670 0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3657 -4.3937 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5185 -2.9417 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9104 -2.0436 0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9615 -2.4538 1.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5686 -1.8228 1.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0840 -2.2840 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8205 -1.8110 -0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5016 -2.0831 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2502 -1.6209 1.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7955 -1.9171 1.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8021 -1.2388 0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5326 -1.4351 -0.2766 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0425 -0.2366 1.5674 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0609 0.4918 0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5127 1.3160 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5229 2.3606 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8939 3.1401 -0.9667 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0279 4.2978 -0.4832 P 0 0 0 0 0 5 0 0 0 0 0 0 4.3807 3.8493 -0.9865 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 4.4173 1.1857 O 0 0 0 0 0 1 0 0 0 0 0 0 2.6513 5.8028 -1.1309 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8994 6.5797 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5592 7.9196 -0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7894 8.7033 0.0976 N 0 0 0 0 0 4 0 0 0 0 0 0 1.6024 9.3945 1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1487 7.8819 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 9.6915 -0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6399 1.9814 -0.7547 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3883 2.8470 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7062 2.8121 -0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 1.8468 -0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1869 0.8833 -0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2112 1.6340 0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0934 0.8103 1.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8882 -0.1647 0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7937 -1.0116 1.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6179 -2.0073 0.7706 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5135 -1.3497 -0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4142 -2.1986 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8839 -3.1784 -1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0209 -4.2867 -1.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5712 -5.1980 -0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8485 -5.9050 -0.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3202 -6.8084 0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9964 -4.3914 -2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4062 -5.9639 -2.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0748 -5.8056 -2.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9251 -3.6612 -0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6943 -5.2482 -0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1139 -4.7028 1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5546 -6.1478 0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0326 -4.7717 -1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6637 -4.8049 0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2165 -2.5699 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1052 -0.9617 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7628 -3.5118 1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3415 -1.9954 2.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7107 -0.7156 1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 -2.0479 2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0748 -3.4384 -0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8911 -2.0769 -0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8176 -2.1142 -1.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9348 -0.6650 -0.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2265 -3.1797 -0.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7151 -1.6500 -0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7997 -2.2792 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5464 -0.5943 1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7085 -1.6798 2.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -3.0207 1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4695 1.1077 1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7511 -0.2148 0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9143 0.6749 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0661 3.0741 0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3772 1.9010 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5195 6.7364 0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9499 6.0555 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4819 8.4931 -1.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9864 7.8597 -1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 8.7278 1.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5565 9.7480 0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0398 10.2881 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3784 7.2074 1.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 7.2340 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8889 8.4831 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6294 10.5493 -0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4179 9.2403 -1.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8457 10.0720 -0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9053 3.5794 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3078 3.5158 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5617 1.2202 -1.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9863 2.3443 -1.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4819 0.3203 0.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6938 0.1358 -0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8552 2.1780 -0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7724 2.4405 1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7445 1.4426 2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4277 0.2420 2.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1861 -0.7881 0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5802 0.4310 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4748 -0.3597 2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1532 -1.5355 2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8956 -2.7335 0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2278 -2.5540 1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8414 -0.8062 -0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1772 -0.5755 0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0780 -1.4504 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1677 -2.6327 -0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7345 -3.5393 -2.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2629 -2.5872 -2.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9814 -4.9875 -2.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9659 -4.1023 -1.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6680 -4.7380 0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8049 -6.0213 -0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6084 -5.1308 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6942 -6.5260 -1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5520 -6.9000 1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4988 -7.8550 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2652 -6.4444 0.6534 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 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 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 18 31 1 0 31 32 1 0 32 33 2 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 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 17 73 1 0 17 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 25 78 1 0 25 79 1 0 26 80 1 0 26 81 1 0 28 82 1 0 28 83 1 0 28 84 1 0 29 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 30 90 1 0 32 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 47121 1 0 M CHG 2 23 -1 27 1 M END