HMDB0009226 RDKit 3D PE(20:0/18:3(6Z,9Z,12Z)) 133132 0 0 0 0 0 0 0 0999 V2000 4.5769 5.2691 2.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 5.2634 2.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5673 4.1943 2.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0982 4.3228 0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7145 3.2048 -0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3064 3.2889 -1.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6807 2.3144 -2.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3188 1.0550 -1.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9665 -0.1098 -2.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3723 -1.1330 -2.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 -1.2885 -2.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 -2.4053 -2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6801 -3.3464 -1.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0318 -3.5356 -1.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0727 -3.6150 0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -4.8069 0.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3405 -4.8342 2.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6139 -3.6472 3.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -3.3413 4.2138 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8041 -2.8944 2.2039 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0916 -1.7836 2.6732 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6017 -2.0387 2.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -3.1607 3.3432 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0389 -3.6458 3.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8437 -3.0485 2.6083 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -4.7877 4.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8638 -5.0953 4.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8036 -4.0018 4.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2298 -4.3790 4.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1477 -3.2399 4.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7281 -1.9509 3.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6733 -2.0619 2.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1957 -0.7371 1.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0341 -0.7428 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2458 -1.0105 -0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9033 -1.0338 -1.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3015 0.2520 -2.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9923 0.1121 -3.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3553 1.3799 -4.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0880 1.1148 -5.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4415 2.2770 -6.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2459 3.5304 -6.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5947 3.3777 -7.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3670 4.6839 -7.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4656 -0.4985 1.9423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6778 0.5440 2.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9838 2.0138 1.7257 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7823 3.0920 2.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 2.0893 1.1598 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9226 2.3064 0.4401 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0967 3.1840 0.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9953 3.3953 -0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0722 4.2897 -0.0872 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1838 5.2785 4.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2255 6.2436 2.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1327 4.4280 2.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5050 6.2584 2.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4226 5.0055 3.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1527 3.2141 2.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6666 4.0677 2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4680 5.3258 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0021 4.3567 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8261 3.4895 -0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6992 2.2414 0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5502 4.2253 -2.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4161 2.4734 -3.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2063 0.9532 -1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4514 1.0095 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0795 -0.1236 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0418 -1.8921 -3.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3487 -0.3305 -2.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7705 -1.4037 -4.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 -2.4428 -2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8947 -4.1112 -1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3686 -4.5699 -1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8247 -2.8725 -1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7093 -2.7152 0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1451 -3.7441 0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6997 -5.7668 0.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2415 -4.7642 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8683 -5.7520 2.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3732 -4.7824 2.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2855 -1.6242 3.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3028 -2.1749 1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 -1.1277 2.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2616 -4.5985 5.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8088 -5.6989 3.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1018 -5.9947 4.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0378 -5.3810 2.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5179 -3.0412 3.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7247 -3.8420 5.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -4.6542 3.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5239 -5.2520 4.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0449 -3.1105 5.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1995 -3.4844 4.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5178 -1.2029 4.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7994 -1.5583 4.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9968 -2.8883 2.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7082 -2.2169 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8775 0.0419 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1983 -0.5259 2.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2108 -1.4003 -0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6765 0.2983 0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7507 -1.9561 -0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0261 -0.2051 -0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8798 -1.2308 -2.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2466 -1.8841 -2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9618 1.0989 -2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3208 0.3868 -1.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 -0.0562 -4.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3001 -0.7228 -4.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0469 2.2234 -4.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4143 1.5633 -3.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9772 0.7740 -6.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3457 0.2643 -5.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2694 1.9915 -7.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 2.4800 -6.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6823 4.2969 -7.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3492 3.9503 -5.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2009 2.5647 -6.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4826 3.1461 -8.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9470 4.8392 -8.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6323 5.5100 -7.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9768 4.6712 -6.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1697 -0.6267 0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5413 -0.2783 2.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5704 2.4270 0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2895 4.1833 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 2.7253 1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4052 2.4374 -0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3734 3.8297 -1.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8794 3.8090 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3902 4.8877 -0.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 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 42 43 1 0 43 44 1 0 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 1 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 49127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 M END