HMDB0266482 RDKit 3D PA(20:3(5Z,8Z,11Z)-O(14R,15S)/2:0) 76 76 0 0 0 0 0 0 0 0999 V2000 -10.2867 -0.6978 -1.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2728 0.4438 -1.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6319 0.4049 -0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6099 1.4628 -0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4505 1.4590 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5555 0.2842 -1.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0387 -0.9900 -1.5767 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5031 -0.7913 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0831 -1.3357 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2216 -2.3865 0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6449 -2.3457 2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7953 -1.2411 2.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4703 -1.8092 2.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3752 -1.4716 2.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -0.4413 1.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2034 -1.0261 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2902 -0.5431 -0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 0.5658 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1738 1.6825 -1.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0403 2.8168 -0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 2.3610 -0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2164 2.3164 -1.4201 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7883 2.0141 0.8144 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0386 1.5644 1.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 0.2472 0.6563 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7625 -0.1768 1.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7686 0.6696 0.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2212 0.1612 1.4517 P 0 0 0 0 0 5 0 0 0 0 0 0 11.1052 1.3381 1.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0377 -0.8086 0.3105 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9097 -0.7233 2.8538 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4565 0.1668 -0.7413 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7483 -0.8131 -1.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7941 -0.9080 -2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0567 -1.6305 -0.8061 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7617 -1.6656 -1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8018 -0.7411 -2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9784 -0.6020 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5681 0.2708 -2.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8049 1.3808 -2.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2991 -0.5871 -0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4761 0.6479 0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1193 2.4489 -0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2374 1.3937 0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7208 1.6889 -2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8123 2.3488 -1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6124 0.4764 -1.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1529 -0.8382 0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5031 -0.4593 0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7823 -1.8320 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8639 -3.2443 0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7766 -3.1710 2.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2589 -0.8988 3.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7162 -0.3666 1.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4274 -2.5793 3.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6088 -1.9497 2.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -0.0036 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3207 0.4017 1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3494 -1.8663 -0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6004 -1.0459 -1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2115 0.2462 -0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8251 1.0577 0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1361 2.0661 -1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5343 1.2711 -2.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6046 3.1777 0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0165 3.6702 -1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7789 2.3478 0.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0924 1.5282 2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 -0.5496 0.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9810 -1.2119 0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7350 -0.0924 2.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0024 -0.6981 0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4500 -0.1158 3.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8650 -1.3469 -3.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8985 0.1342 -3.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6655 -1.5255 -3.2586 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 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 1 0 33 35 2 0 8 6 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 2 40 1 0 3 41 1 0 3 42 1 0 4 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 6 47 1 0 8 48 1 0 9 49 1 0 9 50 1 0 10 51 1 0 11 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 14 56 1 0 15 57 1 0 15 58 1 0 16 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 20 65 1 0 20 66 1 0 24 67 1 0 24 68 1 0 25 69 1 1 26 70 1 0 26 71 1 0 30 72 1 0 31 73 1 0 34 74 1 0 34 75 1 0 34 76 1 0 M END