HMDB0013422 RDKit 3D PC(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 143142 0 0 0 0 0 0 0 0999 V2000 -3.1574 -5.1259 6.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4147 -4.2170 5.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4735 -2.8466 6.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 -2.1580 6.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 -2.5555 6.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5343 -1.5116 5.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1118 -1.7053 4.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4659 -2.8674 3.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4306 -4.2597 4.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 -4.9075 4.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9365 -4.1999 3.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6968 -4.4850 2.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0862 -3.4991 1.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7726 -2.1110 2.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8775 -1.1270 2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8755 -0.0526 1.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8002 0.3551 0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0522 1.5349 0.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7189 1.6161 1.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 0.4773 0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 0.6194 -0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4337 1.2287 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5318 0.5305 -0.1886 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7752 2.5045 0.4926 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0555 2.9193 0.6821 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7141 3.9835 -0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0261 5.0749 -0.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6113 6.2458 -0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3645 7.1341 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9452 6.5276 -2.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4268 6.7786 -2.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4172 5.9225 -2.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 4.4620 -2.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9947 4.1306 -3.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 2.7472 -4.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0408 2.7016 -3.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8168 1.4915 -4.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9767 1.1480 -5.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8611 0.8399 -6.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0202 -0.3401 -6.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1163 -0.4906 -7.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9619 -1.7020 -6.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4848 -1.6073 -5.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3280 -2.8583 -4.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8634 -2.7801 -3.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 2.9259 2.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4214 1.6617 2.6449 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0123 1.0094 3.0751 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.9760 2.1390 3.2383 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 0.1616 4.4685 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.2625 0.0563 1.7445 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4086 -1.2708 1.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2153 -1.8022 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 -3.1831 0.1526 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.8166 -3.3893 -1.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3648 -3.9333 0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6001 -3.7821 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -4.7337 7.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2591 -4.9594 6.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9139 -6.1624 6.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4099 -4.5362 5.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0487 -4.2797 4.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4703 -2.3734 6.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 -1.1267 7.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 -2.3024 7.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1763 -3.5677 6.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3714 -0.4702 6.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4112 -0.7169 3.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3525 -2.7193 3.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6545 -2.7907 2.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5676 -4.8541 4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6245 -5.9499 4.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8812 -3.1644 4.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 -4.6487 4.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9678 -5.5287 2.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6407 -3.8717 1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9323 -1.8080 1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3311 -2.0279 3.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7226 -1.3611 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7721 0.5977 1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2551 -0.5185 0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4376 0.7234 -0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6671 2.3977 1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3515 2.5635 1.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4628 0.0779 1.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5314 -0.3733 0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2849 1.2214 -1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7009 -0.3894 -0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6971 1.9686 0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9462 3.5370 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7567 4.0927 0.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1786 6.8002 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1879 6.0835 -1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7781 8.1455 -1.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7102 7.0376 -0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6296 6.9931 -3.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 5.4417 -2.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6799 7.8421 -2.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5719 6.6081 -3.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3827 6.0152 -2.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4881 6.1802 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0636 4.2321 -1.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7769 3.8798 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 4.8506 -4.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0078 4.2465 -4.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6398 2.6103 -5.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9108 2.0452 -3.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5866 3.5699 -4.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1499 2.8006 -2.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5252 0.6235 -3.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8754 1.6977 -3.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5398 2.0223 -6.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7471 0.3185 -5.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3701 0.4219 -7.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2587 1.6438 -6.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -1.2284 -6.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4506 -0.1706 -5.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7826 -0.5715 -8.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7887 0.3974 -6.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3508 -2.5909 -6.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8459 -1.6825 -7.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0999 -0.7205 -5.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6434 -1.6566 -4.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6891 -3.7751 -5.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1194 -2.9589 -5.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 -1.8171 -3.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -2.8640 -3.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4747 -3.6003 -2.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2148 3.6973 2.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7358 3.0783 1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7647 -1.8510 2.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4641 -1.4890 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7342 -1.1186 -0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 -1.5914 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 -2.6928 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6072 -3.1630 -1.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4286 -4.4164 -1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2633 -4.9361 0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -3.3699 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6616 -4.0185 2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5702 -4.7464 -0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3295 -3.1616 -0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9467 -3.9794 1.2285 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 2 0 16 17 1 0 17 18 1 0 18 19 2 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 1 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 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 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 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 6 26 90 1 0 26 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 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