HMDB0011282 RDKit 3D PC(P-18:1(11Z)/20:1(11Z)) 143142 0 0 0 0 0 0 0 0999 V2000 -6.0032 5.2752 -1.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2856 5.8443 -3.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1791 4.7854 -4.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4882 5.2629 -5.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4306 4.1292 -6.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6482 2.9430 -5.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6017 1.8563 -6.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5363 1.3556 -7.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1624 1.7646 -7.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2359 0.7180 -6.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5096 0.0171 -5.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5389 1.0239 -4.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7175 0.5448 -2.9336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9154 -0.2576 -2.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 0.3940 -2.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3678 -0.4936 -2.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3285 -1.8485 -3.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5502 -2.8813 -2.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8351 -2.8257 -0.8975 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6226 -3.7903 0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2259 -4.0817 0.4646 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1323 -3.8355 -0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0302 -3.5412 0.1566 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -3.1618 -0.5054 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4470 -4.2636 -0.4138 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2448 -2.7388 -2.1218 O 0 0 0 0 0 1 0 0 0 0 0 0 1.0859 -1.7902 0.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4786 -1.7788 1.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8859 -0.6355 2.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5701 0.6581 1.8938 N 0 0 0 0 0 4 0 0 0 0 0 0 0.2285 1.6377 2.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5526 0.6355 0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.1237 1.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9422 -5.0993 1.3422 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4359 -4.9390 2.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -3.7166 2.9264 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0601 -5.9237 3.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -6.4052 3.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1281 -7.3052 4.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2599 -7.7664 4.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 -6.7064 3.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4633 -5.7273 4.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4866 -4.6806 4.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6814 -3.6719 5.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7005 -2.5992 5.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9011 -1.5874 6.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6668 -0.3054 6.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1631 0.3610 4.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2010 1.4047 4.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7308 2.1377 3.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7429 3.1839 2.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3214 3.9762 1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0467 4.7432 1.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7529 5.4676 0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8651 6.4437 0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3927 5.4418 -1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1837 4.1948 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0052 5.7680 -1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 6.1002 -2.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7832 6.7586 -3.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 4.4285 -4.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6471 3.9273 -3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4599 5.5940 -5.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0417 6.1261 -5.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4695 3.7710 -6.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0029 4.5340 -7.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6929 3.3181 -5.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2628 2.5460 -5.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5714 1.4185 -7.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6509 0.5246 -8.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6826 2.1897 -8.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1131 2.6297 -6.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0794 -0.0720 -7.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7727 1.2361 -6.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4107 -0.6357 -5.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3475 -0.6848 -5.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2113 1.8908 -4.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 1.5216 -4.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2059 -0.0447 -2.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6617 1.4299 -2.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7995 -1.2423 -3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9004 -0.5071 -1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2672 1.3207 -2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3372 0.6957 -3.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 -0.0059 -2.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4466 -0.4956 -1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1163 -2.0019 -4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5111 -3.9012 -2.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1881 -3.4909 1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1791 -4.7261 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9956 -3.1167 1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4532 -2.8554 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0784 -4.5511 -1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9453 -2.6984 2.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5906 -2.0100 1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2281 -0.6901 3.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 -0.7031 2.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7747 2.5820 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 1.7467 3.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 1.1742 3.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4697 0.8669 1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4096 1.4641 0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -0.3320 0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1554 2.0513 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4979 0.2968 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4642 1.2376 0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1106 -5.5181 4.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7416 -6.7966 3.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6172 -6.9941 2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0656 -5.5792 3.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1815 -6.8613 5.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7722 -8.2327 4.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6752 -8.4049 4.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -8.4157 3.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9937 -6.2197 2.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2345 -7.2162 3.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -6.2594 5.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5095 -5.2833 5.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4655 -5.2554 4.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3346 -4.2741 3.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0762 -4.0610 6.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7048 -3.1743 5.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6571 -3.1400 4.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3133 -2.1869 4.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2806 -1.9441 7.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 0.3151 7.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2473 0.9723 5.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9777 -0.3116 4.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1864 0.9612 4.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2988 2.1781 5.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7606 2.6341 3.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 1.3747 2.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6627 2.6072 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0475 3.8365 3.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2691 3.3284 0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1233 4.7115 1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1861 4.1225 2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 5.4961 2.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6889 4.7152 -0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7861 5.9839 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 6.1286 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3719 7.4221 -0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5187 6.6267 1.0518 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 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 21 34 1 0 34 35 1 0 35 36 2 0 35 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 2 0 47 48 1 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 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 20 89 1 0 20 90 1 0 21 91 1 1 22 92 1 0 22 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 31 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 33106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 55143 1 0 M CHG 2 26 -1 30 1 M END