HMDB0287356 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)-OH(19S)/20:3(8Z,11Z,14Z)) 141140 0 0 0 0 0 0 0 0999 V2000 -5.8041 -3.4601 10.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3447 -4.7284 9.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6080 -4.6645 8.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1669 -5.9185 7.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6618 -6.1699 7.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3456 -7.4099 7.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4859 -7.5075 6.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 -6.3170 5.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0729 -6.0808 4.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2156 -6.0557 3.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2063 -6.2521 3.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 -5.2210 2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 -4.0239 2.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3769 -3.4140 2.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6371 -2.9475 0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0544 -2.3782 0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0984 -3.4027 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -4.5109 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6876 -4.2028 -1.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9637 -3.2068 -2.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4453 -2.0232 -2.2296 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7159 -3.4100 -2.6776 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 -2.3470 -3.3997 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7689 -2.6502 -4.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2675 -1.4066 -5.3823 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1093 -0.2977 -5.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -0.5272 -5.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 1.0199 -6.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4068 1.1854 -6.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 0.7066 -6.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7835 1.0256 -7.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7996 1.7859 -7.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9638 2.3891 -5.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2356 1.9608 -5.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1617 2.7756 -4.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2847 4.2202 -4.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3420 5.1367 -5.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6619 5.9994 -4.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8056 6.0951 -3.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2895 7.4371 -2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6616 8.3272 -1.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3703 8.0381 -1.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1744 7.9442 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 9.1213 0.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 9.7073 1.1084 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6963 10.9036 2.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6018 8.7905 1.7596 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -2.0176 -2.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8241 -0.9927 -3.4443 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2887 -0.6647 -2.6046 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3612 -0.1641 -3.4946 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7978 -2.1119 -1.9155 O 0 0 0 0 0 1 0 0 0 0 0 0 1.9783 0.5113 -1.4153 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6278 1.7141 -2.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3228 2.7817 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 2.5152 -0.1135 N 0 0 0 0 0 4 0 0 0 0 0 0 0.7038 2.4024 1.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 1.3270 -0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6939 3.6544 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 -2.5907 9.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8685 -3.6388 10.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1676 -3.2909 11.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8636 -5.5967 10.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2512 -4.8686 9.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1540 -3.7633 7.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7257 -4.6132 8.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4424 -5.8749 6.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7317 -6.7895 8.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5422 -6.4215 8.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0921 -5.2895 7.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8736 -8.3271 7.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3341 -8.4778 5.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6463 -6.6378 5.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8223 -5.4213 6.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1417 -5.9086 3.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7173 -5.8859 2.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5017 -7.2536 2.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4739 -6.5675 4.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -5.4888 2.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8462 -3.3810 2.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2265 -3.7543 2.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2274 -2.3543 2.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5786 -3.7515 0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1087 -2.1843 0.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1632 -1.6286 1.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1284 -1.7629 -0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9973 -3.8237 2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0925 -2.8187 1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8822 -5.3242 0.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -5.0509 0.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7054 -5.1506 -1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7713 -3.8902 -1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7697 -1.4815 -3.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5772 -3.0662 -5.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -3.4012 -4.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7015 1.4476 -6.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6103 1.7659 -5.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5817 2.2993 -7.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2736 0.8250 -7.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7588 1.0895 -5.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6266 -0.4231 -6.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 0.5868 -8.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5901 2.0436 -7.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9526 3.4648 -5.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1116 2.1976 -4.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4194 0.8572 -4.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0840 2.2395 -4.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7654 4.5819 -3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2456 4.3826 -5.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1652 5.2029 -6.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 6.6982 -4.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5217 5.3801 -2.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8365 5.8299 -2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 7.7165 -3.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1842 9.2822 -1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7233 8.9832 -1.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7773 7.2644 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0525 7.7027 0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7039 7.0204 0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0263 8.9543 2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7303 9.9889 0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2101 10.1212 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1795 11.7190 1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0748 10.5960 2.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7321 11.1530 2.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1270 7.9420 1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -1.6904 -1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8011 -2.9566 -2.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7688 1.5922 -2.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 2.0594 -2.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 2.9010 -0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1176 3.7150 -1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2128 3.1158 1.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 1.3718 1.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8123 2.5336 1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3561 1.3021 0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 1.3881 -1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0362 0.4055 -0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5837 3.3690 0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2279 4.5481 0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0252 3.8587 -1.1788 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 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 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 6 24 94 1 0 24 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 6 46123 1 0 46124 1 0 46125 1 0 47126 1 0 48127 1 0 48128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 M CHG 2 52 -1 56 1 M END