HMDB0287578 RDKit 3D PC(20:4(5Z,7E,11Z,14Z)-OH(9)/20:4(8Z,11Z,14Z,17Z)) 139138 0 0 0 0 0 0 0 0999 V2000 10.1413 1.7700 -3.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4721 0.3176 -3.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5137 -0.0349 -2.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6683 -1.0338 -2.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5874 -1.9248 -3.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8510 -3.3242 -2.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9761 -4.2618 -2.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6154 -4.1178 -3.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6871 -4.6088 -2.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7386 -4.0004 -1.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2269 -2.6366 -1.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -1.6902 -2.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2968 -1.1483 -3.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9282 -1.4378 -4.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 -0.1299 -4.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 -0.4148 -4.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1198 0.8572 -4.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5504 0.5938 -5.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3716 1.8547 -5.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 2.5343 -3.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4532 3.2443 -3.5691 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4857 2.4763 -2.9942 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4288 3.1758 -1.7943 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6303 2.3969 -0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6391 1.3851 -0.4167 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6055 0.5314 0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4772 0.6510 1.5647 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5795 -0.5210 0.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4094 -0.0177 1.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9189 0.4003 2.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1219 0.9156 3.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3789 0.3585 5.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4119 0.9129 5.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6926 0.4211 7.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9736 -0.7288 7.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3917 -0.7237 7.5288 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6213 -2.0757 7.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7766 -3.1011 7.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2118 -4.0574 7.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -4.2385 5.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9365 -5.6061 5.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0755 -5.7779 5.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9115 -4.7247 4.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0849 -4.9711 2.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9302 -3.9379 2.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3313 -3.8880 2.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1504 -2.8136 2.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4570 4.3138 -1.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7306 3.7828 -2.1276 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9027 4.9611 -2.2684 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.4536 6.1489 -1.4145 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0431 5.5484 -3.8466 O 0 0 0 0 0 1 0 0 0 0 0 0 -8.3919 4.4640 -1.6462 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3217 5.4956 -1.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6559 5.0665 -1.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5650 6.1937 -1.1700 N 0 0 0 0 0 4 0 0 0 0 0 0 -10.8665 7.4244 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6276 6.0559 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2353 6.2700 -2.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0327 2.1070 -4.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2031 1.8097 -4.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1048 2.3507 -2.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4962 0.4342 -2.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 -0.2485 -3.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5194 0.6076 -1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9865 -1.1987 -1.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6987 -1.8048 -3.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4782 -1.7356 -3.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8620 -3.5279 -2.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2968 -5.2714 -2.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3847 -3.1677 -3.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5001 -4.8532 -4.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8582 -5.6958 -2.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1801 -4.6499 -1.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0963 -2.6480 -2.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3745 -2.1910 -0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8677 -1.3479 -2.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8612 -0.4334 -4.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0396 -1.7472 -5.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4035 -2.2591 -3.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6011 0.5452 -5.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0922 0.2097 -3.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -1.2004 -4.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6539 -0.8093 -5.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3732 1.6080 -5.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 1.2274 -3.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -0.1999 -4.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5033 0.2483 -6.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 2.5507 -5.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3941 1.5630 -5.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4473 3.7319 -1.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6420 2.0144 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4356 3.1017 0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 -0.9392 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0048 -1.3906 1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0255 0.8809 1.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4015 -0.7535 1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5976 1.2871 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5322 -0.3809 3.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 1.7727 3.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2247 -0.4802 5.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9766 1.7823 5.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5118 0.9192 7.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1237 -0.6489 8.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7302 -1.6620 7.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -2.1857 6.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 -2.0598 7.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6322 -3.0264 9.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 -4.7878 7.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7351 -4.2654 5.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -3.4565 5.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3516 -6.4732 6.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4771 -6.8149 4.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9559 -4.9025 4.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6866 -3.6977 4.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1262 -5.0934 2.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -5.9821 2.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9429 -4.0875 1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4274 -2.9516 2.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2101 -3.6044 3.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8602 -4.8514 2.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2296 -3.1026 2.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7724 -2.7321 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0627 -1.8658 2.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4287 4.9707 -1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1845 4.8560 -2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5021 5.7138 -2.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8967 6.3590 -1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0734 4.2695 -1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5965 4.7696 -0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2827 7.1944 0.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5662 8.2315 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2441 7.7980 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0405 5.0364 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2737 6.3933 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4601 6.7350 -0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1157 6.9373 -2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6273 5.2500 -2.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6004 6.6761 -3.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 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 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 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 1 24 92 1 0 24 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 32101 1 0 33102 1 0 34103 1 0 35104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 57131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 M CHG 2 52 -1 56 1 M END