HMDB0011505 RDKit 3D LysoPE(18:1(11Z)/0:0) 78 77 0 0 0 0 0 0 0 0999 V2000 -7.1468 -1.7305 -1.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5851 -1.4732 -0.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9678 -2.6937 0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0052 -3.7851 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7487 -3.5330 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -2.5683 0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5988 -2.5811 1.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2195 -1.5272 2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8402 -0.2102 1.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7459 0.7396 1.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3149 2.1183 1.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3002 3.1138 0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1216 3.2716 1.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1716 4.2878 1.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3221 3.8604 -0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3153 4.8289 -0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5009 4.9773 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 3.7187 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1967 3.7282 0.9742 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9513 2.5348 -0.4633 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 1.2998 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9728 1.3311 -0.8439 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8198 2.1871 -0.1759 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4926 -0.0991 -0.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6244 -0.9321 -1.4594 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1469 -2.5415 -1.4275 P 0 0 0 0 0 5 0 0 0 0 0 0 4.9324 -3.0377 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 -3.5156 -2.4212 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7755 -2.6599 -1.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5160 -2.9282 -0.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9666 -3.0182 -1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7989 -3.2994 0.1407 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4765 -2.7224 -2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0410 -1.7305 -1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5723 -0.9835 -2.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6147 -0.9073 -0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0143 -0.7212 -0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3546 -2.3534 1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9402 -3.1075 -0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5112 -4.6505 0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7545 -4.2283 -0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1545 -4.4920 1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9129 -3.1771 2.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0735 -1.5886 0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3535 -3.0017 -0.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1004 -3.5544 1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3592 -1.6044 2.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7567 -0.1156 1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1119 0.1556 2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3946 0.3829 0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9217 0.6717 2.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1587 2.1094 0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 2.4474 2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8143 4.0870 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9541 2.8234 -0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4613 3.5677 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 2.3191 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6733 4.3833 1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7142 5.2799 0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5132 3.8346 -1.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 2.8544 -0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8299 5.7706 -1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6369 4.3508 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1463 5.7720 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2241 5.3854 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4949 0.9375 0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9415 0.5623 -0.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9466 1.6775 -1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6022 2.3616 -0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5104 -0.1361 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5464 -0.4572 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7685 -4.0205 -3.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2134 -3.9170 -0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3530 -2.1420 0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3031 -2.0483 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0805 -3.7894 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7415 -3.6135 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7306 -2.5353 0.8212 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 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 7 46 1 0 8 47 1 0 9 48 1 0 9 49 1 0 10 50 1 0 10 51 1 0 11 52 1 0 11 53 1 0 12 54 1 0 12 55 1 0 13 56 1 0 13 57 1 0 14 58 1 0 14 59 1 0 15 60 1 0 15 61 1 0 16 62 1 0 16 63 1 0 17 64 1 0 17 65 1 0 21 66 1 0 21 67 1 0 22 68 1 6 23 69 1 0 24 70 1 0 24 71 1 0 28 72 1 0 30 73 1 0 30 74 1 0 31 75 1 0 31 76 1 0 32 77 1 0 32 78 1 0 M END