HMDB0113643 RDKit 3D PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -6.6807 -0.2184 -5.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6921 0.7637 -4.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6895 2.1107 -5.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7999 3.0214 -5.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6298 2.8088 -4.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7415 3.8059 -3.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8435 4.6962 -2.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5541 4.8444 -3.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4537 4.6463 -2.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5405 3.7261 -2.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4576 2.7500 -3.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 2.9268 -4.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6886 2.0013 -4.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5713 0.6107 -4.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5329 -0.2831 -5.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 -1.0878 -5.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6002 -1.2443 -4.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8937 -0.8032 -5.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9014 -1.5823 -5.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9739 -3.0146 -5.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9178 -3.5408 -4.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5143 -3.2701 -2.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4165 -2.8758 -2.4783 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3873 -3.4710 -1.7114 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1437 -3.3362 -0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5773 -4.2286 0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -3.7399 1.8957 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2413 -4.3087 3.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8792 -5.3575 3.2416 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6197 -3.6318 4.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -3.9743 4.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4655 -3.2395 5.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5057 -2.3400 5.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1132 -2.0835 3.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -2.4172 3.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2171 -1.5987 3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9214 -0.1910 2.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 0.6616 3.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6744 1.4803 3.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8738 1.6648 1.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 3.0992 1.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 3.7543 0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9221 3.1839 0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0057 3.9134 1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8607 3.3985 1.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8677 1.9763 2.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6585 1.7104 3.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6943 2.3140 4.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0739 1.8128 4.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0542 2.4716 5.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4969 -1.8836 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6762 -1.0056 -0.6389 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8362 0.5980 -0.2417 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.4025 1.5224 -1.3635 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4109 0.9537 0.1703 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7543 0.9212 1.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 1.6818 2.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 1.9725 3.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9558 2.7503 4.2142 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9948 3.0319 5.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7331 -0.5011 -6.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2095 0.2636 -6.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1811 -1.1552 -5.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6695 0.5626 -4.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8479 0.4983 -4.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5210 2.3575 -6.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9181 4.0005 -5.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7317 2.9256 -4.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6810 1.8118 -3.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6835 3.7787 -2.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 5.3907 -1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5387 5.9562 -3.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 4.2323 -4.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4364 5.3356 -1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2158 3.6820 -1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2495 2.9121 -4.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5505 1.7357 -3.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9619 3.9578 -4.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6081 2.2442 -5.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5779 0.4077 -3.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 0.4326 -3.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3896 -0.2105 -6.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5783 -1.7093 -6.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 -2.3764 -4.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4905 -0.8333 -3.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 0.3026 -5.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8303 -1.0441 -5.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9915 -3.5116 -5.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4202 -3.4110 -6.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1545 -4.5835 -4.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8862 -2.9690 -4.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9883 -3.2163 -0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 -5.2794 0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7025 -4.2072 0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -3.9951 5.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8054 -2.5556 4.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1582 -5.0716 4.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6935 -4.0878 3.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7418 -3.4121 6.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0551 -1.8389 6.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3805 -1.0354 3.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 -2.7056 3.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6557 -3.4412 3.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 -1.9182 3.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1265 -0.1324 1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 0.1424 3.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7579 0.6217 4.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3178 2.1006 3.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7823 1.1964 1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0497 1.1607 1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6995 3.5104 1.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4679 4.8206 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 3.5390 -0.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0557 2.1237 0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0577 4.9992 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5998 4.0564 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1328 1.3696 1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8786 1.5441 1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6681 2.1174 3.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6123 0.6343 3.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4501 2.0112 5.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6501 3.4369 4.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0977 0.7230 4.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3983 1.9076 3.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8418 2.0609 6.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0931 2.2042 5.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8344 3.5611 5.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2302 -1.7826 1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5773 -1.6942 -0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5793 1.9356 0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2431 1.1416 2.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7454 2.6485 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0043 1.0213 3.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4887 2.5220 2.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7682 2.2661 4.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3537 3.7603 5.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0533 3.4311 4.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 2.1089 5.8297 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 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 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 17 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 0 26 93 1 0 26 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 55130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 60136 1 0 60137 1 0 60138 1 0 M END