HMDB0266755 RDKit 3D PA(P-16:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) 115114 0 0 0 0 0 0 0 0999 V2000 13.4233 0.1934 3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3325 0.0556 1.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8267 1.3102 1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1024 2.0725 0.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7004 1.7828 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6496 1.6820 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2607 0.6051 -2.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8311 -0.6202 -1.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 -0.8594 -1.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3026 -1.0059 -3.2608 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5871 0.2776 -1.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3919 0.0882 -0.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6296 1.1950 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4843 1.0691 0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6862 -0.0809 0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1013 -1.4299 0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5135 -2.2444 -0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3252 -1.9536 -1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2598 -2.9859 -0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9211 -2.9073 0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3742 -1.5875 0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8007 -0.9100 1.8247 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3536 -1.0208 0.0849 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 0.2683 0.4523 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5944 0.0143 0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 -0.8902 1.9655 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6469 -1.3475 2.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6764 -0.5312 2.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8404 -1.0765 3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1702 -0.8629 2.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4219 -1.3903 1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6339 -0.8455 0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7070 0.5837 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9180 1.2923 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6171 0.9795 -1.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2918 -0.3066 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4687 -0.5632 -0.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5453 0.5005 -1.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6644 0.1511 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8101 1.1377 -0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9230 0.7769 0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4740 -0.6032 0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0895 1.1941 -0.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 0.6712 -1.7566 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8726 1.6536 -3.1202 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4708 1.5585 -3.8099 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0447 1.0199 -4.1894 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2709 3.2562 -2.7721 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7135 -0.4327 3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4442 -0.0301 3.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2140 1.2663 3.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3912 -0.3297 1.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0928 -0.7542 1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8810 1.6195 1.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5245 3.0004 -0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1538 2.7759 0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2321 0.9869 0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9669 2.5884 -2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2492 0.6035 -3.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7764 -0.6311 -0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4280 -1.4733 -1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0471 -1.7962 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1798 -1.1730 -3.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9418 1.2946 -1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0644 -0.9116 -0.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0884 2.2295 -0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0338 2.0507 0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6509 0.0581 0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3916 -0.0006 1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9940 -1.8055 0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9566 -3.2611 -0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 -2.2118 -2.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9273 -0.9533 -1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3719 -2.8474 -1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6252 -4.0160 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2318 -3.7397 0.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8819 -3.0588 1.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 0.6721 1.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1032 -0.5005 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0643 0.9687 1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7673 -2.3798 2.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6027 0.5016 2.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8612 -0.6757 4.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7461 -2.1874 3.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3828 0.2416 3.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9208 -1.3160 3.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1178 -2.5040 1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5148 -1.4627 1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5483 -1.1064 0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8469 -1.4909 -0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8492 0.7930 -0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3224 1.1221 1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6168 1.3030 0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6375 2.3992 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3145 1.8341 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8261 1.0595 -2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6719 -1.1934 -1.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7930 -0.2182 -2.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9178 -1.5276 -1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2343 -0.6027 0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9150 0.4859 -2.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1545 1.4998 -0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2275 0.1530 0.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0103 -0.8939 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2032 1.2237 -1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3999 2.1183 0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7087 1.5361 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5383 0.7376 1.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5382 -0.6007 0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3924 -0.7630 -0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9585 -1.3845 1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9383 1.2867 -1.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 2.1836 -0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7842 0.0901 -4.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8999 3.8105 -3.5218 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 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 2 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 24 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 1 25 79 1 0 25 80 1 0 27 81 1 0 28 82 1 0 29 83 1 0 29 84 1 0 30 85 1 0 30 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 42111 1 0 43112 1 0 43113 1 0 47114 1 0 48115 1 0 M END