HMDB0286400 RDKit 3D PC(18:3(10,12,15)-OH(9)/18:1(11Z)) 135134 0 0 0 0 0 0 0 0999 V2000 1.2281 6.9282 -6.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0758 6.3620 -6.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3058 5.6205 -5.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2076 5.9516 -3.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1934 5.1952 -2.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1705 4.1413 -2.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8705 2.8819 -2.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7429 1.7712 -3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5048 0.4987 -2.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5639 -0.5288 -3.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0891 -1.7615 -2.8782 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9092 -0.3005 -4.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7439 -0.4254 -5.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1493 -1.7880 -5.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0775 -1.8217 -6.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2022 -0.9797 -6.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6787 -1.4396 -4.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8046 -0.5802 -4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2827 -1.0775 -2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7172 -2.0675 -2.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3229 -0.4643 -2.1749 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8323 -0.8457 -0.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9924 -0.4806 0.2106 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5039 -0.5120 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 0.2525 1.1419 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3378 0.3164 1.1359 P 0 0 0 0 0 5 0 0 0 0 0 0 0.1653 -1.0457 0.6741 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2545 1.5493 0.1764 O 0 0 0 0 0 1 0 0 0 0 0 0 0.3055 0.5457 2.6977 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4344 1.9370 2.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 2.1942 4.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1923 3.6004 4.4783 N 0 0 0 0 0 4 0 0 0 0 0 0 1.1016 3.8000 5.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1844 4.4355 3.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4967 4.0902 4.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4263 -0.9911 1.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9927 -0.2725 2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1467 0.9620 2.2322 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4372 -0.8502 3.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2118 -2.1345 3.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4642 -3.2086 2.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1409 -3.5792 3.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5302 -4.6294 2.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3099 -5.3283 3.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0425 -4.6450 3.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9924 -3.8095 4.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3753 -3.1349 4.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4833 -4.0771 4.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4916 -4.0722 4.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 -3.1075 2.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8439 -2.2454 3.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1119 -3.0600 3.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -3.8386 1.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 -2.8954 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4660 -1.9244 0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0772 6.2213 -6.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1287 7.1034 -7.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 7.8773 -6.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 7.1335 -6.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4177 5.5969 -6.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 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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 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 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 9 68 1 0 10 69 1 0 11 70 1 0 12 71 1 0 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 22 85 1 0 22 86 1 0 23 87 1 1 24 88 1 0 24 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 33 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 34 99 1 0 35100 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 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 55135 1 0 M CHG 2 28 -1 32 1 M END