HMDB0288879 RDKit 3D PC(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/2:0) 95 94 0 0 0 0 0 0 0 0999 V2000 10.8447 0.1199 3.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9890 -0.9571 3.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8609 -0.3550 2.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6256 -0.4522 1.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4304 -1.1686 0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0588 -0.4814 -0.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0842 0.7604 -1.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4634 1.8512 -0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3710 2.6172 -1.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7395 2.4300 -2.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9312 1.4172 -3.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9406 0.4115 -3.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7954 0.2246 -3.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1938 0.9603 -2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9122 -0.0145 -0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -0.1567 -0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5679 0.5632 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3574 0.3706 -0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2017 -0.6008 0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2752 -1.8993 0.1764 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1468 -0.3715 1.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 -0.6046 0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5459 -0.3089 0.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0564 -1.1944 1.6044 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1107 0.8772 0.7361 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2191 1.5545 1.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5058 1.1647 0.5149 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1538 -0.0397 1.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6790 -1.1950 0.5234 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4439 -2.5695 1.1653 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.8473 -3.0078 2.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4469 -3.8601 0.0935 O 0 0 0 0 0 1 0 0 0 0 0 0 -8.0610 -2.1033 1.4318 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9048 -2.7348 0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3307 -2.3464 0.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6307 -0.9599 0.5405 N 0 0 0 0 0 4 0 0 0 0 0 0 -10.4059 -0.2708 1.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0852 -0.8558 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9912 -0.2821 -0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5721 1.2083 -0.8937 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3208 2.0873 -1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3336 2.0643 -3.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0206 2.9425 -1.0292 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4202 0.3109 4.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8871 -0.2118 3.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7164 1.0639 3.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6153 -1.6521 2.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5484 -1.5602 3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1557 0.2302 2.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7069 0.0467 0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8124 -2.0244 -0.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2310 -1.7564 0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6336 -1.1661 -1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7138 1.0162 -2.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2306 1.7108 0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3326 2.6759 -0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0065 3.5226 -0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9568 3.2596 -2.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0104 2.0552 -4.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9526 0.9473 -3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2377 -0.2833 -4.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1718 -0.5964 -3.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6832 1.8267 -1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1975 1.3414 -2.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7719 -0.5580 -0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5229 -0.8859 0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6025 1.2828 -1.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5307 0.9533 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9472 -0.4572 1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -2.4552 0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3117 -1.0372 2.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2718 0.6728 1.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2287 -1.6885 -0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1611 -0.0163 -0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 2.6548 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3108 1.6445 2.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2602 2.0726 0.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1518 -0.0632 2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2568 0.0389 0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4769 -2.6212 -0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8260 -3.8429 0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9814 -2.9293 0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6150 -2.6432 1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0602 0.6148 1.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3612 0.0397 1.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6570 -0.9828 2.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6561 -1.4053 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2919 0.2539 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2408 -1.1786 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7474 0.2114 -1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4239 0.5923 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2726 -0.8824 -1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4668 1.4347 -3.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2496 1.5526 -3.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2569 3.0473 -3.5924 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 2 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 1 0 41 43 2 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 15 65 1 0 16 66 1 0 17 67 1 0 18 68 1 0 19 69 1 0 20 70 1 0 21 71 1 0 21 72 1 0 22 73 1 0 22 74 1 0 26 75 1 0 26 76 1 0 27 77 1 1 28 78 1 0 28 79 1 0 34 80 1 0 34 81 1 0 35 82 1 0 35 83 1 0 37 84 1 0 37 85 1 0 37 86 1 0 38 87 1 0 38 88 1 0 38 89 1 0 39 90 1 0 39 91 1 0 39 92 1 0 42 93 1 0 42 94 1 0 42 95 1 0 M CHG 2 32 -1 36 1 M END