HMDB0112486 RDKit 3D PS(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)) 114113 0 0 0 0 0 0 0 0999 V2000 13.2149 -0.5601 1.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8397 0.1196 1.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6534 1.0976 2.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6931 1.0730 3.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6599 0.0803 3.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2601 0.3664 3.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7107 1.4995 2.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2541 2.7912 2.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1402 3.4661 1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5850 3.0501 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 1.7840 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6677 1.1751 -1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0771 0.9664 -2.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6853 1.2750 -2.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 0.0798 -3.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7524 -1.0371 -2.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0868 -0.7296 -0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7413 -0.2014 -1.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6126 0.9757 -1.5447 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5451 -0.9126 -0.9086 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3195 -0.2670 -1.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8853 -1.1558 -0.9621 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7027 -2.3916 -1.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4826 -3.0530 -1.4938 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6501 -4.3900 -2.5014 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0659 -4.9091 -2.2898 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5079 -3.9912 -4.1382 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 -5.5392 -2.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4051 -6.5734 -3.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3831 -7.6918 -2.7885 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7516 -7.2620 -2.8448 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -8.4081 -1.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1313 -8.8158 -1.3859 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0171 -8.6444 -0.5843 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0634 -0.5289 -1.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1802 -0.3777 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0384 -0.8675 0.6631 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3547 0.3342 -1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4296 0.5172 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9544 1.3409 1.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 1.7131 2.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9516 2.6727 1.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9000 2.4291 0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8940 3.6600 0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7880 3.4086 -0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0706 3.3103 -0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0171 3.4145 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6402 3.6678 2.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9407 3.7435 2.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6640 2.4482 2.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3729 -1.3239 0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2758 -0.9587 2.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0236 0.2281 1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1049 -0.6669 1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8250 0.6708 0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3807 1.9332 2.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7129 1.8354 4.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9597 -0.8889 2.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7061 -0.3348 4.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 -0.5420 3.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5658 1.4278 2.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2958 2.9207 2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6987 3.5434 3.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6106 4.4875 1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6258 3.7683 -0.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9690 0.9936 0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8350 1.9104 -0.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7296 0.9281 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6748 0.5146 -3.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1567 1.9646 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7355 1.8943 -3.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3548 -0.3420 -4.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8484 0.3965 -3.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 -1.8059 -2.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -1.6073 -1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6559 -0.0642 -0.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0426 -1.7108 -0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3685 -0.0504 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 0.7303 -0.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8325 -1.5457 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5251 -3.1196 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6901 -2.0820 -2.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4593 -4.0564 -4.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6278 -6.9621 -2.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5996 -6.1348 -4.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1938 -8.4216 -3.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1929 -7.6170 -3.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -7.6716 -2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0452 -8.0354 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0656 1.3092 -1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7668 -0.3543 -1.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5733 -0.5795 0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4099 0.7069 -0.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4657 2.2701 0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0491 0.8284 1.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3192 0.8006 2.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2993 2.2049 3.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3830 3.6369 1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4839 3.0481 2.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4509 1.4949 0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4198 2.5534 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2112 4.5071 0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2272 3.7455 1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2978 3.2790 -1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5432 3.0983 -1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7359 2.5098 0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7715 4.2522 0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1807 4.6633 2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0655 2.8803 2.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6072 3.8387 4.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5137 4.6392 2.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3224 2.4544 1.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9541 1.6002 2.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3648 2.2540 3.6513 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 2 0 32 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 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 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 21 78 1 0 21 79 1 0 22 80 1 1 23 81 1 0 23 82 1 0 27 83 1 0 29 84 1 0 29 85 1 0 30 86 1 6 31 87 1 0 31 88 1 0 34 89 1 0 38 90 1 0 38 91 1 0 39 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 41 96 1 0 41 97 1 0 42 98 1 0 42 99 1 0 43100 1 0 43101 1 0 44102 1 0 44103 1 0 45104 1 0 46105 1 0 47106 1 0 47107 1 0 48108 1 0 48109 1 0 49110 1 0 49111 1 0 50112 1 0 50113 1 0 50114 1 0 M END