HMDB0009662 RDKit 3D PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)) 135134 0 0 0 0 0 0 0 0999 V2000 -5.8041 -0.8321 6.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6048 -0.6751 5.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1921 -0.9219 5.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7076 -1.8549 4.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3529 -2.9072 3.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7624 -3.1241 3.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5780 -3.0422 2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1698 -2.6951 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9136 -1.4833 0.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4396 -0.3163 0.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9932 -0.0120 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5103 0.4016 -0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0015 1.5867 -1.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8712 2.6071 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6441 3.1797 0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 2.8707 0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9961 1.8180 -0.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 0.8207 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3035 -0.2256 -1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 -1.2215 -0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7561 -1.9814 0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8713 -2.8886 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8656 -4.0590 0.7472 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8391 -2.4133 2.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 -3.1899 2.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8226 -2.3100 3.3419 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9084 -1.8813 4.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5036 -3.0365 5.1909 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4738 -2.6250 6.4706 P 0 0 0 0 0 5 0 0 0 0 0 0 3.1294 -1.5612 7.3591 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9983 -2.0348 5.8986 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1649 -3.9518 7.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7925 -4.1429 7.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4901 -5.3315 8.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9439 -5.5664 8.5164 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2378 -1.2103 2.6291 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4932 -0.7517 2.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4766 -1.3696 2.8434 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6425 0.4941 1.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8237 0.0264 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8883 1.1898 -0.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 1.9953 -0.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5373 3.1264 -1.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6176 2.5902 -3.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 3.7049 -4.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4984 3.7835 -4.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4437 2.7271 -5.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1509 3.4178 -4.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 3.4332 -5.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1639 2.7613 -6.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0662 1.7344 -6.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9041 1.7836 -7.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0322 2.8215 -8.8343 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0081 2.2499 -10.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 1.5033 -10.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1143 1.0092 -11.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3318 0.2337 -12.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7541 -0.3231 7.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7946 -1.8989 7.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9748 -0.2493 7.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8159 0.4665 5.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3544 -1.2321 4.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4265 -0.2301 5.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5604 -1.8620 4.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9472 -2.8590 2.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -3.8831 4.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2366 -3.4350 4.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6634 -3.2396 2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1107 -2.7115 1.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6574 -3.5288 0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0163 -1.5747 0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1115 0.5195 0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6911 0.6665 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4512 -0.9736 0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6011 -0.3664 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7212 1.7360 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4233 3.5320 -0.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6328 2.4661 0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7302 4.0520 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5962 3.4799 0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 1.2703 -1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2797 2.3149 -1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5506 0.3226 0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8433 1.3470 0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8297 0.3108 -1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -0.7213 -1.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4435 -1.9961 -1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2176 -0.7275 -0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -1.3049 1.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1156 -2.6202 0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5367 -4.0028 3.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5462 -3.5498 1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6421 -2.9036 3.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5243 -1.2339 5.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0549 -1.3069 4.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8069 -2.4619 5.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -3.2217 7.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -4.3140 6.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -6.2066 7.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8483 -5.0739 9.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 -6.1861 7.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1138 -6.1132 9.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7459 1.1053 1.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5168 1.0770 1.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8208 -0.4691 0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -0.7120 -0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0783 0.7781 -1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7596 1.8244 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7168 1.3669 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5669 2.4856 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5643 3.6419 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3419 3.8756 -1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0346 1.7010 -3.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7155 2.2430 -3.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2152 4.5005 -4.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4348 4.6471 -5.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5145 1.9657 -4.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5377 2.2271 -6.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 3.9374 -3.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2287 3.9756 -5.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0829 3.4582 -7.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0903 2.1948 -7.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1052 0.9206 -6.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6757 0.9797 -7.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4396 3.7126 -8.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1178 3.2015 -8.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8806 1.6273 -10.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0463 3.1243 -10.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4017 0.6492 -9.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 2.1509 -10.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0603 1.8736 -12.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7948 0.3432 -12.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 0.8481 -12.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -0.7312 -11.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 0.0200 -13.5355 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 1 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 26 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 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 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 0 25 92 1 0 26 93 1 1 27 94 1 0 27 95 1 0 31 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 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 43111 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 52124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 57135 1 0 M END