HMDB0264062 RDKit 3D PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/18:2(9Z,12Z)) 123122 0 0 0 0 0 0 0 0999 V2000 0.5477 -5.6641 7.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -4.6365 7.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0206 -3.6106 6.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 -3.3141 5.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -3.9871 4.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5457 -2.9582 4.4496 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9464 -2.0048 3.6406 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1985 -2.3990 5.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6113 -1.4833 6.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2658 -0.9338 7.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7074 -0.0400 8.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3724 0.5471 8.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5829 1.9985 7.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 2.6678 6.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5838 2.0929 5.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2337 2.8028 4.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5637 2.2803 3.4594 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2760 1.3584 2.7521 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8589 1.9946 3.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3503 0.8021 3.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6158 -0.4364 3.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2038 -1.2144 2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -2.4845 2.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0774 -3.2697 1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1807 -2.9448 0.5421 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4358 -4.3848 0.4938 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9195 -5.2182 -0.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2168 -4.5343 -1.8059 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9553 -5.5384 -2.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4855 -4.9419 -3.8233 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3054 -6.1008 -4.7534 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.3845 -7.2504 -5.0023 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6534 -6.6981 -3.9265 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8471 -5.4404 -6.2036 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1384 -3.9207 -2.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0519 -2.5475 -2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0068 -1.8751 -2.1726 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0314 -1.8526 -3.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2854 -1.6268 -2.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3482 -0.9162 -1.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8965 0.4662 -1.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 1.5547 -1.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 1.6413 -3.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6257 1.9012 -3.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3528 1.9443 -4.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 2.9828 -5.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5395 4.2709 -4.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2177 5.3947 -5.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3123 6.4359 -6.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 6.6610 -6.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1727 6.7598 -7.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5543 7.0441 -7.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6273 6.1041 -7.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8299 6.0101 -6.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -6.4450 7.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4593 -5.2245 7.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7392 -6.1420 8.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4711 -5.2049 7.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -4.2191 8.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 -3.0340 7.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -2.5134 4.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8802 -4.8910 5.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0495 -4.2843 3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2916 -3.5005 3.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9472 -2.3479 2.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2006 -2.7342 5.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6359 -1.1440 6.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2775 -1.3312 7.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3112 0.2977 9.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8663 0.4499 9.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 0.0662 7.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0654 2.5800 8.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4151 3.7706 6.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3686 1.0466 5.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4666 3.8550 4.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5354 3.1904 2.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8231 1.2439 1.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5716 2.8529 3.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4396 0.6902 3.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -1.0965 4.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.4612 3.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2442 -0.6056 1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -1.5123 2.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -3.1692 2.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5783 -2.2201 1.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1197 -6.0175 -0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7963 -5.8237 -0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9622 -3.7150 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -5.9179 -2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2834 -6.3864 -2.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5587 -7.6433 -3.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8584 -4.4464 -6.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2941 -2.5555 -4.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -0.9646 -3.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 -2.6588 -2.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0506 -1.1961 -3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 -0.8912 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9863 -1.5654 -0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7687 0.5396 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1903 0.7058 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6075 1.4467 -1.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 2.5746 -1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 2.6094 -3.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4396 0.8739 -4.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3911 2.8601 -2.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0301 1.0861 -3.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5897 1.0647 -5.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3269 2.9142 -6.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6366 4.3665 -5.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5251 4.2237 -3.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3076 5.3173 -5.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 7.2300 -6.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 7.7029 -5.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3536 5.9893 -5.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 7.5354 -8.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8656 5.8179 -8.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6139 7.1410 -9.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8355 8.1139 -7.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3693 5.0864 -7.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6076 6.3364 -8.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4368 6.8539 -5.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 5.0711 -5.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9584 6.0264 -5.8376 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 1 0 6 8 1 0 8 9 2 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 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 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 2 0 31 33 1 0 31 34 1 0 28 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 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 6 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 6 18 77 1 0 19 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 23 84 1 0 23 85 1 0 27 86 1 0 27 87 1 0 28 88 1 1 29 89 1 0 29 90 1 0 33 91 1 0 34 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 0 44106 1 0 45107 1 0 46108 1 0 47109 1 0 47110 1 0 48111 1 0 49112 1 0 50113 1 0 50114 1 0 51115 1 0 51116 1 0 52117 1 0 52118 1 0 53119 1 0 53120 1 0 54121 1 0 54122 1 0 54123 1 0 M END