HMDB0011149 RDKit 3D LysoPC(O-18:0/0:0) 90 89 0 0 0 0 0 0 0 0999 V2000 -7.8733 0.2904 -3.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2769 -0.2752 -3.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1733 0.4435 -2.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7442 0.3636 -0.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6835 -1.0544 -0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2603 -1.1424 0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8850 -0.5648 1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8310 -1.2934 0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4658 -0.6928 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1397 -0.8158 2.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7635 -0.2528 2.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7457 1.1987 2.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3701 1.7595 2.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9795 1.6651 3.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 2.2645 3.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4645 1.5847 3.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6501 0.1288 3.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7885 -0.3415 2.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3657 -0.1271 1.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2307 -0.5263 0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 0.1029 0.1866 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3144 -0.1552 1.3292 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3486 -0.3255 -1.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5341 0.4106 -1.0849 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4208 -0.0279 -2.4568 P 0 0 0 0 0 5 0 0 0 0 0 0 5.5531 0.2519 -3.6656 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8661 -1.6566 -2.4032 O 0 0 0 0 0 1 0 0 0 0 0 0 7.8239 0.9307 -2.4662 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9313 0.1278 -2.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1649 1.0025 -2.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3828 0.2590 -2.0996 N 0 0 0 0 0 4 0 0 0 0 0 0 11.1400 -0.8449 -1.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3587 1.1418 -1.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8826 -0.3196 -3.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7950 1.2288 -3.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2045 -0.5014 -3.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5529 0.4171 -2.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6862 -0.1956 -4.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1925 -1.3608 -3.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2086 0.0953 -2.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1366 1.5323 -2.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5438 0.8881 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8135 0.9276 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6928 -1.5109 -0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0156 -1.6951 -1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1999 -2.2180 1.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0271 -0.7015 1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8012 0.4977 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7162 -0.7133 2.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8024 -2.3548 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0148 -1.2566 -0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7166 -1.1877 0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5657 0.3842 0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8469 -0.2347 2.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1445 -1.8811 2.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0288 -0.8536 1.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6233 -0.3818 3.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9449 1.3406 0.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 1.7826 2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 1.1437 1.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3893 2.8119 1.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6754 2.3206 4.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0512 0.6661 4.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3279 2.3730 4.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6714 3.3131 3.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4332 2.0902 3.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3319 1.6982 2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2269 -0.4839 3.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -0.0837 4.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0889 -1.3717 2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6234 0.3975 2.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7456 -0.3174 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3069 -1.6592 0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 1.2268 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0402 -0.8132 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7501 -0.0347 -1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 -1.4176 -1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8162 -0.4312 -1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0219 -0.5543 -3.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1963 1.5363 -3.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 1.7918 -1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5992 -1.6875 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1165 -1.2321 -0.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5608 -0.5237 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0088 1.3918 -0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3942 2.1072 -2.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3734 0.7066 -1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4431 -1.3124 -3.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9840 -0.4833 -3.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7312 0.3485 -4.1865 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 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 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 6 46 1 0 6 47 1 0 7 48 1 0 7 49 1 0 8 50 1 0 8 51 1 0 9 52 1 0 9 53 1 0 10 54 1 0 10 55 1 0 11 56 1 0 11 57 1 0 12 58 1 0 12 59 1 0 13 60 1 0 13 61 1 0 14 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 16 67 1 0 17 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 20 72 1 0 20 73 1 0 21 74 1 6 22 75 1 0 23 76 1 0 23 77 1 0 29 78 1 0 29 79 1 0 30 80 1 0 30 81 1 0 32 82 1 0 32 83 1 0 32 84 1 0 33 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 34 90 1 0 M CHG 2 27 -1 31 1 M END