HMDB0286193 RDKit 3D PC(17:0/18:3(9,11,15)-OH(13)) 134133 0 0 0 0 0 0 0 0999 V2000 6.2565 -0.9847 3.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0741 -2.4964 3.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6313 -3.1042 2.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9049 -3.7895 1.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5439 -4.3897 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -3.7948 -1.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5118 -4.0938 -1.1961 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1364 -2.3578 -1.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5639 -1.6211 -2.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8288 -0.1999 -2.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2907 0.6104 -3.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6083 2.0379 -3.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3574 2.8965 -3.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7611 4.3423 -3.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6859 5.3167 -3.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 5.3466 -1.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3582 5.4316 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4245 5.6630 0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2804 4.7813 0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 4.9024 1.8534 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7646 3.8354 -0.1056 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3614 3.0608 0.1262 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2627 1.6220 0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4897 0.8743 -0.6337 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4523 -0.5508 -0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3025 -0.9069 0.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2207 -1.4312 -1.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3299 -2.8535 -0.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8704 -3.2447 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0726 -3.1473 1.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0672 -4.1971 1.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0278 -3.9855 2.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9104 -2.7860 2.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0271 -2.8951 1.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7611 -3.4582 0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9322 -3.4666 -0.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3858 -2.1380 -1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 -1.4641 -1.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -0.1626 -2.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 -0.3591 -3.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0509 0.9906 -4.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1402 0.9060 -5.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5697 3.5775 -0.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7003 2.8049 -0.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0335 3.5104 -1.0865 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.2684 4.8592 -0.4296 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6789 3.6623 -2.7249 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.4203 2.6031 -0.8965 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4540 3.3979 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7351 2.6014 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6304 1.5336 0.6887 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.6858 0.2641 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8012 1.4844 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4855 1.5639 1.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2969 -0.5183 3.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5457 -0.6303 2.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0004 -0.6632 4.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0097 -2.7119 3.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5669 -2.8762 4.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6936 -2.9941 1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8478 -3.9258 1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3535 -5.4642 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -4.1853 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3330 -4.2799 -2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 -4.7715 -1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8142 -1.9018 -0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8985 -2.0985 -2.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 0.2499 -1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6186 0.1713 -3.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1044 2.2778 -4.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3339 2.2691 -2.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 2.5974 -2.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7209 2.6814 -4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2706 4.5045 -4.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6218 4.5317 -2.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0544 5.2466 -4.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0766 6.3917 -3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9589 6.1258 -2.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1623 4.3808 -1.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 4.5569 -0.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0863 6.2987 -0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0454 5.6235 1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0797 6.7520 0.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6999 3.4221 1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2651 1.3986 1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2753 1.1588 0.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8021 -1.4554 -2.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2902 -1.0529 -1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9069 -3.4463 -1.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2906 -3.3400 -1.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2035 -4.3433 0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8644 -2.6992 0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -2.1963 2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7987 -3.6177 2.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -5.2160 1.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -4.2703 0.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6205 -4.9054 3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4278 -3.8043 3.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3274 -1.8804 2.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4242 -2.6029 3.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8954 -3.4208 2.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4153 -1.8349 1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4616 -4.5570 0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9425 -2.9598 -0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -3.9914 -0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5989 -4.0607 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6064 -1.4303 -0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2598 -2.2699 -1.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7683 -2.1764 -2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4656 -1.2449 -1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0517 0.4662 -1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8056 0.3433 -3.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6279 -0.6691 -3.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4754 -1.1190 -4.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4286 1.6428 -3.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1342 1.4460 -4.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9852 0.3041 -4.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4844 1.9208 -5.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7839 0.4258 -6.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3904 3.4870 -1.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7654 4.6432 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6761 4.1136 -1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2164 4.0145 0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1280 2.2941 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4946 3.3256 0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6629 0.1766 -0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8545 0.2335 -0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5721 -0.5297 0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6928 2.1674 2.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8772 0.4536 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7326 1.7121 0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5526 1.3431 1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4763 2.4829 2.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6504 0.7264 2.2945 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 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 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 27 28 1 0 28 29 1 0 29 30 1 0 30 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 22 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 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 0 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 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 22 84 1 1 23 85 1 0 23 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 52126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M CHG 2 47 -1 51 1 M END