HMDB0008030 RDKit 3D PC(16:1(9Z)/P-18:1(9Z)) 131130 0 0 0 0 0 0 0 0999 V2000 -2.8407 7.2512 -1.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4632 7.4519 -1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2911 7.3560 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5719 6.0513 0.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9541 5.5337 0.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0541 4.1921 1.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7763 4.3886 2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 3.8264 3.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 2.8655 3.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9595 1.5314 3.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1488 0.6473 3.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2463 -0.6545 3.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -1.4969 3.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8505 -2.7371 4.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0051 -3.6534 4.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2182 -4.3644 3.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1645 -5.6724 3.3143 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4736 -3.8784 2.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6555 -4.8238 0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8669 -4.2540 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5983 -3.7833 -1.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6652 -4.7972 -0.8523 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7713 -4.4357 -1.6060 P 0 0 0 0 0 5 0 0 0 0 0 0 0.6518 -4.9608 -3.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0826 -2.7962 -1.6645 O 0 0 0 0 0 1 0 0 0 0 0 0 2.0250 -5.2723 -0.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7376 -5.9522 -1.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -6.7415 -1.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5334 -7.7452 -0.2477 N 0 0 0 0 0 4 0 0 0 0 0 0 3.2782 -9.0403 -0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4514 -7.3572 0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7016 -7.9239 0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9410 -3.3805 -0.5254 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2654 -2.7556 -1.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7326 -1.4952 -1.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8708 -0.8766 -0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1691 0.4032 -0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6903 0.4156 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1178 0.1366 -1.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 0.1755 -1.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0468 1.5229 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4307 1.4112 -1.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2418 2.1413 -1.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 3.2071 -2.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3499 4.5726 -2.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8733 4.5434 -2.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4241 5.8869 -2.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8786 6.0832 -2.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7514 5.3716 -1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8076 3.9003 -1.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1799 3.2248 -2.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8978 6.2916 -2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0116 8.0940 -2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6505 7.3647 -1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8075 6.6537 -1.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0294 8.4170 -1.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8413 8.2050 0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2051 7.6297 0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8715 5.2941 0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3518 6.1023 1.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7674 6.1938 0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1201 5.2224 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2978 3.5679 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0549 3.7602 1.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4568 5.1113 3.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7675 4.0917 4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1726 3.2326 3.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0796 2.5922 1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 1.7213 4.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9416 1.1003 3.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0092 0.5606 2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 1.2664 3.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5644 -0.5459 4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1106 -1.2091 3.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 -1.8625 2.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 -0.9701 4.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -3.2454 4.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8323 -2.3374 5.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0231 -4.3644 5.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9322 -3.0264 4.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5058 -5.5090 1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7284 -5.4347 0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1692 -5.1638 -1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7883 -3.7521 -2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2842 -2.8005 -0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1433 -5.2119 -2.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 -6.5756 -2.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5049 -7.1973 -1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5489 -6.0004 -0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -9.2121 -0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7166 -9.8675 -0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6587 -9.1625 -1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4978 -8.1184 1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4742 -7.3299 0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7352 -6.3889 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5936 -8.8525 1.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5501 -8.0930 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 -7.0297 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1733 -3.1950 -2.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0036 -0.9444 -2.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9834 -0.7837 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5544 -1.6074 0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6350 1.2342 -0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4594 0.7513 0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3446 1.4406 0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2041 -0.2470 0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4383 0.8973 -2.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4223 -0.8249 -1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1994 -0.5685 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2011 -0.0822 -2.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4687 2.2712 -1.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3939 1.6672 -0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 0.6479 -0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 1.9681 -1.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 3.2781 -3.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2384 2.9589 -3.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9238 5.2999 -3.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0781 4.8586 -1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0687 4.3888 -3.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2909 3.6889 -2.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0576 6.1958 -1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8914 6.6443 -2.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2853 6.0095 -3.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0618 7.2027 -2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4449 5.7021 -0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8265 5.7706 -1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7493 3.6826 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 3.4441 -0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4979 2.1718 -2.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3014 3.1077 -3.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0399 3.6807 -3.0879 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 1 0 7 8 2 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 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 20 33 1 0 33 34 1 0 34 35 2 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 2 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 50 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 6 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 27 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 30 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 32 98 1 0 34 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 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 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 51131 1 0 M CHG 2 25 -1 29 1 M END