HMDB0013449 RDKit 3D PC(O-22:0/22:3(10Z,13Z,16Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -4.5070 2.7738 -4.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0456 1.6364 -5.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4659 1.2965 -4.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8169 0.8525 -3.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0870 -0.3944 -3.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3364 -1.5240 -3.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8862 -2.6436 -3.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3461 -2.9362 -2.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6896 -4.1053 -1.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0219 -4.0891 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7928 -2.9021 0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4075 -3.1654 1.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7613 -3.2251 2.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3056 -3.0387 2.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7949 -4.4010 3.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3543 -4.3287 3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5469 -3.8094 2.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0475 -3.8717 2.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7174 -3.2125 1.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2178 -3.3205 2.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 -4.7858 1.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3415 -5.2679 0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4617 -6.4802 0.3093 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9547 -4.4312 -0.4157 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6173 -4.5441 -1.7332 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5634 -3.6944 -2.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8858 -4.1963 -2.5323 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 -3.1452 -3.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 -3.4496 -3.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8767 -2.3209 -3.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 -1.1721 -2.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0385 -0.3659 -2.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1912 0.3060 -3.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9465 0.9516 -2.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 1.9875 -1.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 1.5647 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9519 2.6806 0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3614 2.1558 1.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1039 3.2092 2.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5594 2.6939 4.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3534 3.6405 5.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8902 3.9915 5.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1591 2.7628 5.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 2.8663 6.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3045 3.2290 5.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 4.5443 4.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5332 4.6707 3.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5467 5.9842 3.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8387 6.0333 2.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2284 -3.9849 -2.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -2.6279 -1.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3221 -1.9796 -2.0418 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.3674 -2.8641 -1.4254 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5849 -1.9225 -3.7284 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.4389 -0.3834 -1.4717 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1737 0.0997 -1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1619 1.4919 -0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6508 2.5025 -1.4996 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.6175 2.1483 -2.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2014 3.6824 -1.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 2.9179 -1.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4732 2.9828 -4.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5618 2.5664 -3.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0887 3.7051 -4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3624 0.7451 -5.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9715 1.9737 -6.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0653 2.2185 -5.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7869 0.5592 -5.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6518 1.6851 -2.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8998 0.6262 -3.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 -0.2442 -3.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3530 -0.5435 -1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0095 -1.3556 -4.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0434 -3.4653 -4.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4362 -2.0973 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4448 -3.2843 -2.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7450 -5.1026 -2.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5298 -5.0137 -0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7276 -2.6301 0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3103 -2.0372 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5184 -3.3259 1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2896 -3.4318 3.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8095 -2.7982 1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0481 -2.2568 3.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4135 -4.7215 4.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9985 -5.1535 2.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9893 -5.3262 4.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2331 -3.5713 4.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -4.4858 1.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -2.7808 2.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1591 -4.9561 3.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.3618 3.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -2.1020 1.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3532 -3.4764 0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4522 -2.9759 3.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7147 -2.7558 1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -5.4149 2.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 -4.7999 2.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -5.5645 -2.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2597 -3.7656 -3.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -2.6351 -2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3684 -2.2478 -2.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1537 -2.9931 -4.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 -4.3555 -3.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4492 -3.8369 -2.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4622 -1.9366 -4.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8759 -2.7379 -4.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8130 -1.5497 -2.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8309 -0.4795 -3.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4686 -0.7652 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6675 0.5417 -1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8262 1.0075 -4.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9103 -0.4835 -4.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4612 1.3325 -3.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2039 0.0833 -2.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 2.3427 -1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4392 2.9123 -2.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 0.7077 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2661 1.3332 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8734 2.9314 0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 3.5333 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7561 1.2314 2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4275 1.8567 1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0207 3.4531 2.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6515 4.1455 2.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6673 2.5317 4.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1387 1.6866 4.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9381 4.5439 5.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7335 3.1684 6.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4999 4.6400 4.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 4.6281 6.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2961 1.9346 5.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6803 2.3199 6.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6842 3.5567 7.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4527 1.8654 6.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5122 2.3869 4.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3053 3.2522 5.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5774 4.6059 3.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2283 5.3793 5.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4029 4.6077 4.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5752 3.8350 3.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4341 6.8369 3.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6834 5.9976 2.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3265 7.0371 2.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 5.8139 1.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5422 5.2379 2.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 -4.5077 -1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0556 -4.0855 -3.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4777 -0.0710 -2.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2027 -0.5905 -0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8467 1.7551 -0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8271 1.5199 0.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2473 2.9213 -3.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 1.1926 -3.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3959 2.2536 -3.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4445 4.5806 -1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8122 3.6403 -0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8646 3.8024 -2.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9579 3.8320 -0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 3.2494 -2.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5895 2.1240 -0.7092 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 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 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 6 26100 1 0 26101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 48142 1 0 48143 1 0 49144 1 0 49145 1 0 49146 1 0 50147 1 0 50148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 59153 1 0 59154 1 0 59155 1 0 60156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 61161 1 0 M CHG 2 54 -1 58 1 M END