HMDB0288133 RDKit 3D PC(18:1(9Z)-O(12,13)/22:3(10Z,13Z,16Z)) 148148 0 0 0 0 0 0 0 0999 V2000 -1.8645 3.2740 8.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 3.2395 9.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8941 2.6157 9.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 1.2441 9.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9376 0.4717 8.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8571 1.1642 7.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 1.3677 6.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6597 0.9218 5.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9135 0.1022 5.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8073 0.9274 4.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2609 0.5560 3.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9749 -0.7561 2.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2219 -0.5362 1.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0651 -1.0560 1.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3022 -1.9528 2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9715 -1.4664 2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0091 -1.1168 1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6767 -0.7330 1.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 -1.7493 2.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3871 -2.9371 1.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2928 -3.8093 1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4454 -5.0137 0.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6837 -4.4587 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8635 -4.5798 0.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5829 -3.7984 -1.3174 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7679 -3.2955 -1.9525 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7403 -1.7855 -1.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7335 -1.1799 -2.6225 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6858 0.2544 -2.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 0.7587 -1.6995 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2821 1.0173 -3.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9621 2.2190 -2.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3438 3.4485 -2.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2585 3.5434 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8676 4.9319 -0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0497 5.1933 -1.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 4.1750 -1.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5822 4.3073 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 4.5835 0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 4.8074 -0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0745 3.8429 -0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2568 4.0575 -0.8948 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5855 2.8146 -0.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3714 1.6805 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8751 0.6710 -1.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6289 -0.3769 -0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2067 -1.4688 -1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 -2.2078 -2.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8987 -3.7845 -3.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0158 -3.3006 -4.0026 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0217 -3.8927 -5.5853 P 0 0 0 0 0 5 0 0 0 0 0 0 4.2114 -3.3501 -6.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 -5.5645 -5.6593 O 0 0 0 0 0 1 0 0 0 0 0 0 1.6457 -3.3825 -6.4568 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6974 -2.0102 -6.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4842 -1.5543 -7.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 -2.1537 -8.7195 N 0 0 0 0 0 4 0 0 0 0 0 0 1.6241 -2.3432 -9.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4406 -1.2676 -9.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 -3.4298 -8.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 2.3585 8.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 4.2012 8.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6912 3.3250 7.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8675 2.6375 10.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5952 4.2864 10.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3044 2.6075 10.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4392 3.2793 8.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0078 0.6872 9.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1447 1.3390 8.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7141 -0.5357 8.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4969 0.3662 9.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1037 2.1888 8.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8062 0.6304 7.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2946 1.9673 6.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1089 1.1308 4.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7283 -0.8993 4.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4730 0.0141 6.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0740 1.9149 4.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9105 1.2288 2.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9942 -1.1261 2.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6111 -1.5348 3.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7275 0.1228 0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6350 -0.7848 0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9122 -2.3534 2.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0832 -2.8853 1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5123 -2.0962 3.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1679 -0.4800 3.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0825 -1.8375 0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 -0.1375 0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8269 0.2125 2.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0103 -0.3994 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0285 -1.2266 3.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5081 -2.1098 3.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -3.5915 2.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5132 -2.6603 1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5914 -3.3373 0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1795 -4.1332 1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0993 -5.6669 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0994 -5.5823 1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6224 -3.6138 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7225 -1.3612 -2.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5832 -1.5141 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2376 1.3013 -4.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 0.2644 -3.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7102 2.4685 -3.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7811 1.9427 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1598 4.2598 -2.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3668 3.8072 -3.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 2.8425 -0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5939 3.5166 -0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0879 5.6833 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1585 5.0074 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8615 5.1226 -2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4592 6.1814 -1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9791 4.4329 -2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8077 3.1578 -1.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8404 4.1618 0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0054 4.6700 1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7772 4.6977 -1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3124 5.8713 -0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3466 3.7337 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0657 2.5799 -1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2123 2.0897 0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6888 1.2040 0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6026 1.1084 -1.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0322 0.2022 -1.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4650 0.1474 0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9676 -0.8264 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6707 -2.2041 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9598 -1.0120 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4712 -3.2602 -2.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0312 -1.7594 -3.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1897 -2.1260 -1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0014 -3.4581 -3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 -4.8992 -3.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 -1.4764 -5.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6402 -1.7215 -7.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -1.7455 -6.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5139 -0.4238 -7.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 -3.0772 -8.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5777 -2.5639 -10.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1821 -1.3771 -9.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2295 -0.8172 -10.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9268 -0.4839 -8.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1947 -1.9267 -10.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4565 -3.2811 -8.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3234 -3.8577 -7.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0108 -4.1917 -9.2937 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 2 0 11 12 1 0 12 13 1 0 13 14 2 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 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 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 26 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 43 41 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 9 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 22 98 1 0 22 99 1 0 26100 1 1 27101 1 0 27102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 58140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 59145 1 0 60146 1 0 60147 1 0 60148 1 0 M CHG 2 53 -1 57 1 M END