HMDB0267065 RDKit 3D PA(a-17:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 119118 0 0 0 0 0 0 0 0999 V2000 -14.8772 1.8279 -1.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5592 2.4633 -2.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6996 2.6734 -1.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5254 2.0690 -1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0496 1.2102 -2.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9079 0.1417 -2.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7487 0.5316 -1.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7341 1.5533 -1.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2424 1.5900 -0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2639 2.5874 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6852 2.7900 1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8404 2.1223 2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8394 1.0880 2.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5588 -0.1568 2.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2151 -0.7151 3.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9405 -1.7513 2.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9509 -1.7178 1.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9845 -0.6228 1.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9678 0.0723 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 1.1618 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5715 0.6157 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6411 1.3856 0.6256 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 -0.6951 0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 -1.2114 0.2596 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6125 -1.7367 -1.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8516 -2.3364 -0.9823 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -3.5718 -0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -4.3605 -0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5507 -4.1217 -0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0553 -3.9949 0.9027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1898 -2.5908 1.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2168 -1.7789 0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5424 -2.4495 0.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6157 -1.6710 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2924 -1.5700 -1.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3777 -0.8486 -2.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5549 0.5286 -1.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6523 1.1988 -2.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9218 2.5816 -2.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4126 2.7546 -0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7536 2.2479 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9580 0.7833 -0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0713 2.6477 1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0465 4.1520 1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0116 -2.1987 1.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -1.5323 2.5327 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6195 -2.7256 3.7381 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7701 -3.2803 3.9649 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6712 -3.9636 3.2029 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 -2.1309 5.1794 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.3898 1.3755 -2.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6958 1.0500 -1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5886 2.5517 -1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8481 3.5035 -2.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0658 2.0144 -3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0366 3.3198 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9152 2.2356 -0.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8344 1.7412 -3.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7026 -0.2540 -3.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9462 -0.0888 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3962 -0.1760 -2.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4233 2.2255 -2.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6368 0.8342 0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9842 3.2526 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9353 3.6436 1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0814 2.9268 3.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8036 1.7335 2.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9458 1.3518 2.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3877 -0.8901 3.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4209 -0.0267 3.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3363 -1.3140 4.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6347 -2.6115 2.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7893 -2.5471 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 0.0912 2.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9691 -1.1279 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9417 0.5650 -0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6659 -0.6668 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1868 1.7986 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9503 1.8150 -0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7456 -0.3521 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5786 -0.8916 -1.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1731 -2.4741 -1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 -5.1685 -0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -3.5419 -1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3126 -4.5031 1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0335 -4.5033 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2192 -2.0251 1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5415 -2.5798 2.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8836 -1.8146 -0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.7577 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7898 -2.5877 1.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5452 -3.4812 0.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6252 -2.1074 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5745 -0.6254 0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1682 -2.6012 -1.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3265 -1.0224 -1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0910 -0.8410 -3.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3217 -1.4567 -2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7587 0.5543 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6283 1.1620 -1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5202 0.5618 -2.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2030 1.3105 -3.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9829 3.2006 -2.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6710 3.0314 -2.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6865 2.2953 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3928 3.8688 -0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5647 2.8073 -0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6774 0.4467 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4727 0.5252 -1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0339 0.2176 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3261 2.1601 1.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0670 2.2238 1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3242 4.6373 0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0117 4.4707 1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6995 4.5007 2.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6863 -3.0044 1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9557 -2.6109 1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1161 -4.6449 2.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1172 -1.7514 5.0965 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 5 7 1 0 7 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 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 27 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 41 43 1 0 43 44 1 0 24 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 24 80 1 1 25 81 1 0 25 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 42108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 49118 1 0 50119 1 0 M END