HMDB0284414 RDKit 3D PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) 134133 0 0 0 0 0 0 0 0999 V2000 -16.0510 2.1205 0.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5969 0.7727 0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6773 0.9370 -1.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1082 0.2498 -1.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2126 -0.9074 -1.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9010 -1.4977 -0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6743 -1.5208 -0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4573 -0.9763 -0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4329 -2.0245 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2525 -2.0214 -0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8430 -0.9649 0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6480 -0.2710 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5230 -0.2346 0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3116 -0.8658 1.9836 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3472 -1.9080 2.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5492 -2.4803 1.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4087 -2.2318 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5113 -2.9420 -0.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6527 -3.9722 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3984 -4.8703 -1.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3875 -3.5973 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3152 -2.9340 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5338 -1.6047 -0.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1504 -1.4296 -1.8924 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0307 -0.4797 -0.1935 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1247 0.8468 -0.5998 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2554 1.5037 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1472 0.9089 -1.5494 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4673 1.3755 -1.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7849 2.2951 -0.8235 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4709 0.8069 -2.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8283 1.3334 -2.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9591 0.8885 -2.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9873 0.1552 -2.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1281 -0.3262 -1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1649 0.0186 -0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1453 0.8559 -0.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4510 1.7280 -1.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3998 3.1510 -0.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4552 3.8964 -0.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8022 3.5315 -1.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7040 3.6542 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4475 2.7070 0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4731 1.3513 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8546 1.0129 -0.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5410 0.0174 -0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1741 -0.9999 0.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9352 -1.0487 1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0384 -2.0445 1.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1816 -3.2256 0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0825 -3.3332 -0.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8444 1.6283 0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0966 1.1449 0.7661 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 2.0869 2.0288 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.6998 1.2847 2.8611 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 3.4005 1.3753 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4045 2.5858 2.9585 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 1.5910 3.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9334 1.9908 4.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 2.0912 3.7685 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.6153 1.9345 1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9026 2.7948 1.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3081 2.4757 0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9631 0.0183 0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6059 0.6702 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3354 1.7864 -1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3402 0.6024 -3.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3496 -0.6725 -2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7215 -1.7626 -2.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7257 -1.9872 -0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5627 -2.0040 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1157 -0.0439 -0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7481 -0.6664 -1.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6544 -2.8618 -1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5446 -2.8459 -0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6381 -0.1607 0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8195 -1.3503 1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7056 0.2412 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6780 0.3692 0.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0567 -0.0417 2.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3097 -1.2028 2.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2852 -2.2725 3.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8915 -3.2612 1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0186 -1.5076 -0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5094 -2.6679 -1.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2319 -4.6134 0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1397 -5.7212 -0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5492 -3.0026 1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9431 -4.5713 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4402 -2.8215 0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -3.6316 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6543 0.9376 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 2.5497 -1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6562 1.5930 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3159 1.1397 -3.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4141 -0.2949 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7476 2.4634 -2.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8753 1.1467 -0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9632 1.1962 -3.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7530 -0.1277 -3.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1943 -1.4923 -1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1345 -0.2866 -0.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1381 -0.5364 0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8402 0.9498 0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7422 1.5797 -2.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4566 1.4985 -1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4443 3.4857 -0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3475 4.9368 -0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7918 2.6343 -2.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1084 4.4100 -2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7249 4.6419 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0588 2.9213 1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9145 1.3643 -1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9119 0.6676 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3408 1.7002 -1.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5996 -0.0511 -0.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4004 -2.0005 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0396 -1.0787 1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6678 -0.2679 1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1265 -1.9150 1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1688 -3.4389 -0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9770 -4.1151 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0790 -3.2315 -0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2536 -2.6013 -1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0945 -4.3330 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9271 2.6728 0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1994 1.6401 1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2768 4.2259 1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0088 1.5389 4.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9828 0.6376 3.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6888 1.1180 5.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0073 2.9274 5.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3713 3.0707 3.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0563 1.6910 4.1526 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 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 26 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 19 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 6 27 93 1 0 27 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 56128 1 0 58129 1 0 58130 1 0 59131 1 0 59132 1 0 60133 1 0 60134 1 0 M END