HMDB0285847 RDKit 3D PC(18:1(12Z)-2OH(9,10)/15:0) 133132 0 0 0 0 0 0 0 0999 V2000 -7.7875 3.3190 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0626 4.5121 0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6521 4.0845 1.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7988 5.1805 1.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 4.6507 1.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4881 5.6394 2.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 5.4319 3.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0248 4.2201 4.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 3.4952 4.6036 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9429 2.3557 5.3637 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1621 3.0762 3.2775 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1169 2.2563 2.6532 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 2.3036 3.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5054 1.9753 1.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7632 1.2001 1.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7521 -0.1243 2.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 -0.8424 2.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0841 -2.1760 2.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3656 -2.9143 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4557 -3.1517 1.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4863 -3.5727 0.4642 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -2.8952 0.2596 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2004 -3.0281 -1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8002 -2.5867 -1.5142 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7141 -3.4499 -0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6126 -3.5127 0.3899 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3859 -4.5125 0.9310 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7631 -4.9644 2.3426 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2823 -5.8396 -0.1112 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.1135 -3.7913 1.0267 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6066 -3.7593 2.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9539 -3.1359 2.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9952 -3.7728 1.7360 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.7545 -5.1963 1.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2126 -3.6787 2.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2874 -3.1284 0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7028 -2.6809 -2.9464 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6068 -1.5132 -3.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -0.4472 -3.0943 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -1.6055 -5.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4309 -3.0208 -5.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2948 -3.8502 -5.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0499 -3.5922 -5.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.4168 -5.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2237 -1.9392 -4.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -0.9294 -4.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 0.3426 -4.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4511 1.4430 -4.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0091 1.3194 -4.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4725 2.7017 -3.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 2.6673 -3.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4143 4.0489 -2.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8985 3.8899 -2.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6137 3.6713 -0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1227 2.6471 1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0461 2.7514 -0.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0360 5.2844 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5656 4.8931 1.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1591 3.7607 0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5836 3.2097 1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1660 5.5015 2.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8409 6.0471 0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4177 3.6617 2.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0135 4.5064 0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 6.6035 1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2094 6.2054 4.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7551 3.4836 4.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 4.5599 5.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0091 4.1166 5.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7772 2.5290 6.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 3.9257 2.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 1.3081 2.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9021 1.3613 3.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9425 2.8732 3.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6827 1.3445 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 2.9084 1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6049 1.8519 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8955 1.0265 0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9071 -0.7137 2.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5812 0.0408 3.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8669 -0.2286 2.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 -0.8484 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9347 -2.0539 3.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 -2.7582 2.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2559 -2.2847 2.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4236 -3.8592 3.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4545 -4.0290 -1.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 -2.3161 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7344 -1.5321 -1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7467 -3.0176 -1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7251 -4.4807 -1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8861 -3.1186 2.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5195 -4.7654 2.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 -2.0830 2.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2051 -3.1273 3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1064 -5.2904 0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3259 -5.6781 2.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6904 -5.7418 1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1132 -4.4223 3.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1149 -4.0140 1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3495 -2.6625 2.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1249 -2.0533 0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6751 -3.5526 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3493 -3.2853 0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 -1.0044 -5.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4011 -1.1538 -5.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4298 -2.9722 -6.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4264 -3.5205 -5.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2294 -3.9711 -4.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5567 -4.9220 -5.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7169 -4.4793 -5.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0821 -3.8746 -6.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5185 -1.5529 -6.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8949 -2.6246 -6.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3663 -1.6004 -3.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -2.8321 -3.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 -0.7333 -3.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -1.4975 -4.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 0.6888 -5.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8909 0.1417 -6.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9925 1.9129 -3.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5633 2.3260 -5.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1884 0.6297 -3.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5697 1.0407 -4.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1469 2.9414 -2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2985 3.4469 -4.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 2.2827 -4.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 1.9879 -2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8806 4.3768 -1.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3431 4.7261 -3.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 4.6227 -1.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4735 4.0505 -3.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0719 2.8376 -2.0952 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 1 0 9 11 1 0 11 12 1 0 11 13 1 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 49 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 1 10 70 1 0 11 71 1 6 12 72 1 0 13 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 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 0 23 88 1 0 24 89 1 6 25 90 1 0 25 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 34 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 36104 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 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 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 53133 1 0 M CHG 2 29 -1 33 1 M END