HMDB0263555 RDKit 3D PA(17:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) 123122 0 0 0 0 0 0 0 0999 V2000 -17.5647 4.0159 0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5010 2.8929 -0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1793 1.6927 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5691 0.5387 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1571 0.2957 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4299 -0.1680 0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4921 0.7589 1.9069 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0807 -0.6144 0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0837 -0.8000 1.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7664 -1.2417 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8299 -1.4059 1.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4442 -1.8555 1.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2287 -2.1068 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4161 -1.4820 -0.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5303 -0.3912 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4443 0.2280 0.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3713 0.2809 1.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -0.2891 1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1056 0.8545 1.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4365 1.1942 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5249 0.4627 -1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 0.0300 -1.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5159 -0.8098 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0643 -1.1394 0.6375 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2278 -1.2940 -0.6258 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4353 -2.0667 0.2861 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6976 -1.4915 0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 -1.2809 -0.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9105 -0.8232 0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2281 -0.5808 1.2936 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9494 -0.5894 -0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 -1.8848 -1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2836 -2.6304 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3530 -2.0879 0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6466 -1.6613 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6641 -0.5051 -0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0613 -0.1931 -1.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0182 0.0708 -0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4017 0.3898 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4676 1.6160 -1.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0573 2.8611 -0.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9746 3.0497 0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4093 3.2287 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3241 3.4228 1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9704 4.6256 1.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9328 4.7439 3.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7181 -3.4939 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3612 -3.3842 -1.4616 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8795 -4.9003 -2.0270 P 0 0 0 0 0 5 0 0 0 0 0 0 0.6624 -5.7302 -2.3443 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 -4.7077 -3.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8953 -5.6415 -0.9253 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.0583 3.6489 1.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5436 4.3686 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1430 4.8727 -0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4937 2.7690 -1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1159 3.2712 -1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.2542 1.7775 0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1442 -0.3218 0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1324 -0.5389 -1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5773 1.1013 -0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0060 -1.0800 1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2408 1.4156 1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8056 -0.8293 -0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2956 -0.6054 2.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5636 -1.4312 -0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0462 -1.2092 2.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4459 -2.9204 2.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7071 -1.3467 2.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8470 -2.9457 -0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4029 -1.8508 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6916 0.4233 -1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4691 -0.7041 -0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3515 0.7327 1.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4311 0.7843 2.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0041 -1.0111 0.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7702 -0.8883 2.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9801 1.4415 2.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 2.0806 0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1377 -0.4556 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9548 1.1610 -1.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2551 -0.5247 -2.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5423 0.9399 -1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2775 -2.2272 1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -0.6120 1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1381 -2.2524 1.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3867 -0.2768 -1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6471 0.2313 -0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 -1.7382 -2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 -2.5326 -1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6705 -3.6023 -0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4498 -3.0957 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6176 -2.9201 1.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9692 -1.2925 1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3406 -1.5113 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1266 -2.5307 -0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0766 -0.7122 -1.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2210 0.4286 -0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9511 0.7134 -2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4252 -1.0649 -2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1441 -0.8808 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6741 0.9002 0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7809 -0.4774 -1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1290 0.4866 -0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5004 1.7850 -2.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8617 1.5429 -2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1912 3.7209 -1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0411 2.7181 -0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9233 2.2258 1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6187 3.9566 0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8164 2.3362 -0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5272 4.1265 -0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3607 3.5658 0.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3988 2.5139 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9369 4.5226 2.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0020 5.5355 1.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5209 3.7977 3.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6837 5.5557 2.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4062 4.9928 3.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -4.0738 -0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3925 -4.0418 0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6789 -5.5934 -3.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4576 -6.3470 -1.3150 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 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 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 2 0 29 31 1 0 31 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 45 46 1 0 26 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 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 26 84 1 1 27 85 1 0 27 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 51122 1 0 52123 1 0 M END