HMDB0287453 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)-O(5,6)) 139139 0 0 0 0 0 0 0 0999 V2000 -4.4694 -1.6278 -3.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9492 -3.0547 -3.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9513 -4.0276 -2.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3129 -3.7897 -1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1351 -3.8825 -0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 -5.1868 -0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3937 -6.0083 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8627 -5.9041 1.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6314 -4.7390 2.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2225 -3.9054 3.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9408 -4.0461 3.8617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2209 -4.1052 5.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6933 -3.2124 6.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 -2.1472 5.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3631 -0.7969 5.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8299 0.1702 6.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5695 0.1515 7.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 1.1303 6.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 0.6955 5.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7266 1.5747 4.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8823 2.7546 4.9129 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4682 1.1749 3.4265 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3703 1.9148 2.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8248 3.0078 1.8643 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9347 3.6391 0.9807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3259 4.4620 0.0714 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3171 5.2505 -0.9995 P 0 0 0 0 0 5 0 0 0 0 0 0 5.6131 5.6177 -0.3007 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6439 6.7029 -1.5583 O 0 0 0 0 0 1 0 0 0 0 0 0 4.7305 4.3378 -2.3645 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5685 3.7144 -2.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8072 2.8684 -4.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 3.6326 -5.1644 N 0 0 0 0 0 4 0 0 0 0 0 0 5.7663 3.5765 -5.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8798 2.9528 -6.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 4.9800 -5.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 3.9888 2.5339 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8436 4.4247 2.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4281 3.8370 1.0892 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1581 5.4496 2.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1189 5.2376 3.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 4.7484 2.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4168 3.3346 2.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5571 2.5053 3.5353 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 2.1886 2.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8862 0.9590 1.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 1.1689 0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 0.5882 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1256 -0.3856 -0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 -0.8574 1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2829 -2.0963 1.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0975 -3.2004 0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9433 -4.2486 0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -4.6013 -0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 -4.0102 -1.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6508 -3.3344 -2.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 -4.3362 -2.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0491 -3.6932 -2.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4114 -2.6306 -1.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5021 -1.5846 -3.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3559 -1.1932 -2.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8575 -0.9976 -4.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9565 -3.0909 -3.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7906 -3.3101 -4.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8928 -3.8719 -3.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6712 -5.0807 -3.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0422 -4.5556 -1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8098 -2.7998 -1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2783 -3.3971 0.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3523 -3.1886 -1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 -5.4917 -1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8375 -6.9613 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5914 -6.7983 2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0235 -6.1961 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6425 -4.5645 1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8723 -3.0610 3.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2954 -4.8611 3.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3925 -3.0993 3.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8695 -4.9051 5.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9538 -3.3232 7.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9321 -2.1736 6.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -2.3533 4.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3485 -0.6284 5.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3859 1.1327 6.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -0.8061 7.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 0.6388 8.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1011 2.1662 6.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3521 1.0494 7.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1754 0.5493 4.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2137 -0.3321 5.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2351 2.2535 3.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8428 1.1653 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1424 2.5815 1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6496 4.1280 1.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4172 2.7962 0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2205 3.0114 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7415 4.3959 -3.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8352 2.4275 -4.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5039 2.0345 -3.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1599 3.3722 -6.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1550 4.5725 -4.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1321 2.8195 -4.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 1.8759 -6.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6846 2.9987 -7.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9695 3.4662 -6.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8931 5.5213 -4.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4642 5.5501 -5.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7673 4.9555 -5.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8808 6.0129 3.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 6.3092 2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3988 6.2274 4.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9016 4.5658 4.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4279 5.4503 1.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1989 4.9857 3.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3781 3.1854 1.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6003 2.1432 2.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 0.7963 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5038 0.0412 2.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4891 1.9049 -0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0011 0.8956 -1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.1378 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0847 -1.2201 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7176 -0.1639 1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4897 -2.4095 2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9638 -3.7105 1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5528 -2.9469 -0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1548 -4.7405 1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3511 -5.4100 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5774 -3.2956 -1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1224 -4.8481 -2.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8768 -2.5503 -1.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4817 -2.7669 -3.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9228 -4.7771 -1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4252 -5.1581 -3.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8369 -3.1877 -3.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 -4.4933 -2.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2355 -2.9886 -0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5138 -2.4793 -1.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8552 -1.7242 -2.1054 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 2 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 45 43 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 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 6 25 94 1 0 25 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 34100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 36108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 M CHG 2 29 -1 33 1 M END