HMDB0010390 RDKit 3D LysoPC(20:0/0:0) 95 94 0 0 0 0 0 0 0 0999 V2000 10.4652 0.1003 -3.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0372 0.5815 -3.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3586 -0.0682 -1.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9611 0.4614 -1.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2632 -0.1523 -0.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1786 -1.6345 -0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5220 -2.3606 0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0866 -2.3395 1.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2688 -1.1723 2.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1477 -0.3400 3.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3151 0.4001 2.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2117 1.2032 2.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3268 0.2545 3.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6784 -0.7674 2.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8155 -0.1529 1.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2656 0.6575 2.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 1.2495 1.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 2.1213 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2424 2.6976 -0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8472 1.6365 -1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7193 1.9740 -2.5977 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5265 0.3353 -1.6397 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9768 -0.7820 -2.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2479 -1.3862 -1.8752 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1183 -1.8818 -0.5403 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4394 -0.4965 -1.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3105 0.4487 -0.8405 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6897 1.4331 -0.8560 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.4745 2.6183 0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9564 2.0284 -2.4212 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.0025 0.4939 -0.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0232 1.2787 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1887 0.4338 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7920 -0.3252 -0.4553 N 0 0 0 0 0 4 0 0 0 0 0 0 -11.2338 -0.1763 -0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5085 -1.7335 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2910 -0.0218 -1.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4782 -0.9954 -3.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0213 0.4964 -2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8550 0.4925 -4.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9994 1.6838 -2.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4982 0.2942 -4.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4470 -1.1515 -2.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9297 0.1420 -0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0324 1.5603 -1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3865 0.2765 -2.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8103 0.2672 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1971 0.2553 -0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5840 -1.8898 -1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1873 -2.0949 -0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4577 -3.4931 0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4257 -2.1038 0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -3.2062 2.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1450 -2.8301 1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7261 -1.5776 3.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1165 -0.4841 2.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6072 0.4494 3.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5474 -0.9510 3.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9852 1.1553 1.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 -0.1336 1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5965 1.6711 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6617 1.9722 3.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5525 0.8944 4.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8039 -0.2923 4.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -1.3986 3.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 -1.4216 2.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4759 0.3974 0.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3232 -1.0272 1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1182 1.5157 2.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9341 0.0039 2.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6127 0.4033 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9104 1.8507 1.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4118 1.5043 -0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1815 2.9260 0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0792 3.2587 -0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6391 3.4040 -1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0191 -0.5298 -3.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 -1.6136 -2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4774 -2.3103 -2.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3699 -1.1347 0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3895 -1.0955 -1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5793 0.0445 -2.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6090 1.7496 1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3387 2.0975 -0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9592 1.1295 0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8931 -0.2192 1.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5726 0.1656 0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5302 0.5469 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7125 -1.1483 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2121 -2.0692 0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6835 -2.3024 -1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4539 -1.8220 0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3263 -0.5406 -1.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0219 -0.4465 -2.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2420 1.0581 -1.9960 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 3 44 1 0 4 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 6 50 1 0 7 51 1 0 7 52 1 0 8 53 1 0 8 54 1 0 9 55 1 0 9 56 1 0 10 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 12 61 1 0 12 62 1 0 13 63 1 0 13 64 1 0 14 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 16 70 1 0 17 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 23 77 1 0 23 78 1 0 24 79 1 6 25 80 1 0 26 81 1 0 26 82 1 0 32 83 1 0 32 84 1 0 33 85 1 0 33 86 1 0 35 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 37 95 1 0 M CHG 2 30 -1 34 1 M END