HMDB0114975 RDKit 3D PA(18:3(6Z,9Z,12Z)/15:0) 110109 0 0 0 0 0 0 0 0999 V2000 -13.3958 -4.1101 -1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4530 -2.5793 -0.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2317 -2.2508 0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2647 -0.7911 0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1830 -0.0365 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8935 -0.5845 0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8992 0.0651 0.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9667 1.5111 1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7770 1.7903 2.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8221 2.4863 3.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7481 3.1148 2.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4469 2.5949 2.8046 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5783 1.9369 2.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8617 1.6619 0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0074 2.1861 -0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6323 1.7211 -0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6252 1.9574 0.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3285 1.3257 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3251 1.3033 0.7896 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 0.7704 -1.2101 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1446 0.1472 -1.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0926 0.9916 -1.8735 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9323 2.2114 -2.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 1.9109 -4.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3443 3.2614 -5.0082 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4468 4.2510 -4.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 2.7357 -6.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1181 4.0533 -4.7766 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0731 0.1805 -2.4953 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 -0.2484 -1.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 0.1069 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2065 -1.1192 -2.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3809 -2.4340 -2.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8638 -2.6419 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2309 -2.2300 -0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5641 -0.7931 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0555 -0.5549 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3227 -1.0655 1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7853 -0.7892 1.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6681 -1.5153 0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1582 -1.2732 1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4948 -1.7474 2.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9211 -1.6427 2.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5582 -0.3003 2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6515 0.4088 1.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3937 -4.4005 -0.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5396 -4.4029 -2.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1704 -4.5372 -0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4229 -2.2058 -1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6573 -2.1834 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1038 -2.7042 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3106 -2.7101 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0447 -0.6482 1.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2533 -0.3277 0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4404 -0.2564 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3910 1.0074 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7562 -1.6703 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9883 -0.5234 1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9614 1.9586 0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2532 2.0136 0.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5210 1.3687 3.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7749 2.6374 4.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7141 4.2306 2.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9752 3.1471 1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1723 2.7678 3.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6579 1.5952 2.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9626 1.7507 0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7544 0.4997 0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5343 1.8894 -1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0755 3.3235 -0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1509 2.0947 -1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6084 0.5789 -0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8172 1.5964 1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3948 3.0572 0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4264 -0.1303 -2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -0.8146 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 1.2829 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2702 2.9773 -2.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9394 2.7030 -2.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2178 1.7976 -6.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8917 3.4221 -4.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0524 -0.5238 -2.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5873 -1.3509 -3.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0065 -3.0506 -2.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3742 -2.9972 -2.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1564 -2.1136 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7903 -3.7494 -0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9556 -2.8426 -1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4238 -2.5779 0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0463 -0.3306 0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3183 -0.2496 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1579 0.5653 -0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6750 -0.9756 -0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7107 -0.5821 2.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1745 -2.1869 1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9085 -1.1582 2.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9040 0.3083 1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5433 -1.2143 -0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5006 -2.6228 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2618 -0.1651 0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7206 -1.8037 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8447 -1.1535 3.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1664 -2.8244 2.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0122 -2.1193 3.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5071 -2.2993 2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6033 -0.3771 3.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0092 0.3805 3.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9536 1.2850 1.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7110 0.8473 1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5246 -0.2790 0.5729 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 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 22 29 1 0 29 30 1 0 30 31 2 0 30 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 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 11 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 16 72 1 0 17 73 1 0 17 74 1 0 21 75 1 0 21 76 1 0 22 77 1 1 23 78 1 0 23 79 1 0 27 80 1 0 28 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 45110 1 0 M END