HMDB0011325 RDKit 3D PC(P-18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 143142 0 0 0 0 0 0 0 0999 V2000 2.4398 -7.8059 -4.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8661 -8.2759 -4.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7799 -7.0833 -4.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5821 -6.3938 -5.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 -5.2019 -5.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9094 -5.6884 -5.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7558 -5.2653 -4.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4636 -4.2477 -3.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6499 -4.8626 -2.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7874 -4.9519 -1.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4017 -4.3735 -1.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1836 -3.3382 -0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1821 -3.3546 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1309 -4.4470 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8327 -3.7595 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7892 -3.8196 0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7686 -4.5827 1.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -5.6232 1.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6456 -4.7858 1.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9682 -5.5295 1.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0745 -4.4422 1.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8733 -3.5342 2.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4743 -4.0518 4.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0803 -2.1814 2.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8098 -1.4233 4.0850 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8066 -0.4951 4.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1436 0.6779 3.8833 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3793 1.7900 3.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9996 2.4018 2.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3927 1.9166 1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9763 2.9680 0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9702 4.1038 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4091 5.1270 -0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4205 6.2538 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0371 5.7844 -1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0749 6.8671 -1.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0418 7.0907 -0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3808 6.3354 0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4264 7.3836 1.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9223 7.9457 1.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9203 6.9747 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8355 6.5560 3.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6815 5.9022 4.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 4.5861 3.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0108 4.1965 4.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3731 -0.8693 3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3659 -0.2057 2.6741 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8767 0.3545 2.1433 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8312 1.8406 2.2618 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2967 -0.3011 3.1787 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.6631 -0.1733 0.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 0.7125 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0421 0.0898 -1.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2134 -0.2380 -2.2492 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.1753 0.8391 -2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 -0.5407 -3.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7595 -1.4458 -1.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8036 -8.5284 -3.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1372 -7.7362 -5.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4124 -6.8011 -3.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 -8.9590 -5.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1173 -8.7335 -3.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8435 -7.3272 -4.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -6.3209 -3.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7594 -7.1204 -6.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5736 -5.9347 -5.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4234 -4.7404 -6.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1954 -4.4660 -5.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 -6.4738 -6.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7730 -5.7119 -4.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3521 -3.5113 -3.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6090 -3.6265 -4.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6481 -5.2837 -2.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0075 -5.4242 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3450 -3.8873 -2.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7397 -5.2369 -1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 -2.5386 -0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0893 -2.5733 0.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1402 -4.9027 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -5.2297 -0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7978 -3.1699 -1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 -3.2286 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5525 -3.9452 2.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 -5.1664 2.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3692 -6.0805 2.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2746 -6.3449 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7047 -4.2124 0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6289 -4.0932 2.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 -6.1225 2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0401 -6.1428 0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0691 -3.9144 0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 -4.9392 1.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6139 -2.1925 4.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5337 -0.1443 5.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7592 -1.0887 4.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0124 2.2620 4.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3768 3.3010 2.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2241 1.1598 1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5174 1.4738 0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9619 3.3360 0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1038 2.4967 -0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9953 3.6345 0.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 4.6081 1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3601 5.5743 -0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6211 4.6968 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7112 6.9268 -1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4513 6.9200 -0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7089 5.0717 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 5.2528 -2.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2584 7.5133 -2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6393 7.9246 -0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2329 5.4972 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4286 6.0316 0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8165 6.8585 2.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 8.1205 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3185 8.4818 0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7917 8.8072 2.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9483 7.4561 2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 6.0945 1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0499 7.4905 4.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7639 5.9038 4.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0343 5.6477 5.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1299 6.6326 4.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0111 3.8138 4.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0704 4.5374 2.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5142 5.0865 5.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6666 3.5197 5.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7168 3.6101 4.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6904 -1.7255 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1696 -0.1812 4.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4863 1.7304 -0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0061 0.8627 0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6182 -0.8659 -1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6144 0.7122 -2.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7477 1.7029 -2.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0154 0.4794 -2.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6354 1.0145 -1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1882 -1.3367 -3.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8727 -0.7995 -4.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 0.3708 -4.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5649 -1.7860 -2.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9818 -2.2354 -1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2303 -1.3394 -0.7112 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 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 27 28 1 0 28 29 2 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 1 0 36 37 2 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 25 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 1 26 94 1 0 26 95 1 0 28 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 55135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 57143 1 0 M CHG 2 50 -1 54 1 M END