HMDB0010383 RDKit 3D LysoPC(16:1(9Z)/0:0) 81 80 0 0 0 0 0 0 0 0999 V2000 11.1383 -1.0011 -3.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9961 -0.9832 -1.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5317 0.3477 -1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1837 0.7439 -1.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1757 -0.2939 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7886 0.0767 -1.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3653 1.3764 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2705 1.4822 -0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3715 0.3839 -0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2427 0.1475 1.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2939 -1.0060 1.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9249 -0.7609 0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2347 0.4318 1.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0788 0.2339 2.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2782 -0.9631 3.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1089 -0.9250 2.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -1.9081 3.0197 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 0.0862 2.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9386 0.1744 1.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9725 0.1683 2.5850 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8121 1.2250 3.4594 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3784 0.1151 2.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2912 -0.0348 3.0527 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8666 -0.0991 2.4544 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.4177 -1.4797 2.7532 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8795 1.0219 3.2106 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.8190 0.1681 0.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2135 -0.9798 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2182 -0.8834 -1.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0883 0.1250 -1.8855 N 0 0 0 0 0 4 0 0 0 0 0 0 -10.3645 -0.5058 -2.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5339 0.6015 -3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2349 1.2747 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4962 -0.0674 -3.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9023 -1.7899 -3.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2141 -1.3237 -3.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3771 -1.8197 -1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0171 -1.1553 -1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2863 1.1435 -1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4152 0.2260 -0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9074 1.6913 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2098 1.0023 -2.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1483 -0.3604 -0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3996 -1.2920 -1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1111 -0.7486 -1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9737 0.1732 -3.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9965 2.2809 -1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0236 2.5038 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3283 0.7474 -0.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4826 -0.5577 -0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8913 1.0659 1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2017 -0.1297 1.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1783 -1.2843 2.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7223 -1.8649 0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -0.6543 -0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3186 -1.6685 1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8824 1.3470 1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3179 0.6410 0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0784 0.1697 3.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5638 1.1288 3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1865 -0.9495 4.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7732 -1.9254 3.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -0.5892 0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 1.1927 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8501 -0.7680 3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 1.7598 3.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5515 1.0872 1.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4403 -0.7527 1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2184 -1.2457 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5608 -1.8583 0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5354 -1.8810 -1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2064 -0.7144 -1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1990 0.2116 -2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3299 -0.8770 -3.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5060 -1.4188 -1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7885 1.3935 -2.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9734 -0.2157 -3.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3174 1.0174 -3.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8304 2.0296 -1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7865 1.0496 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2528 1.7344 -0.8821 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 2 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 6 46 1 0 7 47 1 0 8 48 1 0 9 49 1 0 9 50 1 0 10 51 1 0 10 52 1 0 11 53 1 0 11 54 1 0 12 55 1 0 12 56 1 0 13 57 1 0 13 58 1 0 14 59 1 0 14 60 1 0 15 61 1 0 15 62 1 0 19 63 1 0 19 64 1 0 20 65 1 1 21 66 1 0 22 67 1 0 22 68 1 0 28 69 1 0 28 70 1 0 29 71 1 0 29 72 1 0 31 73 1 0 31 74 1 0 31 75 1 0 32 76 1 0 32 77 1 0 32 78 1 0 33 79 1 0 33 80 1 0 33 81 1 0 M CHG 2 26 -1 30 1 M END