HMDB0286795 RDKit 3D PC(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/18:3(9Z,12Z,15Z)) 138137 0 0 0 0 0 0 0 0999 V2000 1.1595 -1.1780 -6.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4039 -1.1892 -5.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1102 0.0788 -5.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3597 0.2263 -6.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1999 -0.8722 -6.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4255 -1.2074 -5.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9869 -0.7060 -4.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5958 0.3850 -3.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5332 -0.1291 -2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5115 -0.1135 -1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2062 0.4348 -2.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1102 -0.6112 -2.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9539 -1.1809 -0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8419 -2.2060 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -2.8490 0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4899 -3.8692 0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8094 -3.3522 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4894 -2.3723 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9483 -1.9184 1.7237 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7469 -1.9556 0.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -1.0205 1.0713 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8471 -1.6858 1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6497 -0.8295 2.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3942 -0.2126 3.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2749 -0.4247 3.9079 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4171 0.6616 4.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9760 1.1674 5.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7906 2.1033 5.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1018 3.3177 4.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4569 3.7092 3.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3392 3.1071 2.8590 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6190 2.1167 3.3994 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3771 4.2281 2.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1735 3.9323 1.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3171 5.0313 1.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8503 4.9834 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 3.8195 0.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 2.5265 0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4168 1.5405 1.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 1.6679 2.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9584 0.6157 3.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1408 0.6005 3.9840 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2787 0.5411 3.1816 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1311 -0.6996 4.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9243 -0.8051 5.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -1.7738 5.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2011 -2.8530 4.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -4.1637 5.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8886 0.0811 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7642 0.6939 -0.3842 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2111 1.9102 -1.4844 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9651 2.6577 -1.8881 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3311 2.9856 -0.8211 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.8469 1.1451 -2.8548 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3625 1.8067 -3.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9116 1.1386 -5.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5347 -0.2406 -5.3365 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.5346 -0.6038 -6.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4343 -1.1262 -4.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2133 -0.4228 -4.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4563 -0.9472 -7.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7618 -2.2086 -6.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3989 -0.5037 -6.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -1.3925 -4.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9421 -2.0958 -5.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5589 0.9981 -5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7277 1.2867 -6.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4308 -0.6302 -7.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5984 -1.8168 -6.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9737 -2.0888 -6.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9712 -1.1869 -4.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5074 1.0937 -3.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7845 1.0298 -4.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4789 -0.5641 -2.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6023 -0.5389 -0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 0.8918 -3.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 1.2870 -1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1272 -0.2043 -2.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4441 -1.4832 -2.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9003 -1.7554 -0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8502 -0.4462 0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0719 -2.9170 -1.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -1.6534 -1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3386 -2.0846 1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5168 -3.4034 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8229 -4.6506 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3762 -4.4806 1.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5067 -4.2428 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7544 -3.0147 -1.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0178 -0.6145 1.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 -2.5976 2.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3243 -1.9976 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3319 0.0095 4.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7114 1.4640 3.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8759 1.6983 5.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7997 0.3430 6.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7062 2.4844 6.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8483 1.6133 5.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9836 3.9235 4.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8208 4.6664 3.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6745 2.7535 1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2107 1.4703 2.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6761 5.2209 2.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0248 2.8817 1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6813 6.0697 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3927 5.9956 0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8337 3.9629 -0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6075 3.8681 1.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1194 2.3111 0.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8536 0.5833 1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1965 2.5385 2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3762 -0.2932 3.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1643 1.4447 4.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4996 1.4433 2.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 -0.5177 5.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 -1.5558 4.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7608 -0.0040 6.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1892 -1.7497 6.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0692 -2.8838 3.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2346 -2.9354 3.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3798 -4.2224 6.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2155 -4.1365 5.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 -5.0346 4.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4952 -0.3550 -0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5558 0.8046 0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8237 2.8382 -3.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2769 1.9375 -3.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5306 1.6640 -6.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0128 1.2924 -5.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3481 -0.0838 -7.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5452 -0.3338 -7.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7193 -1.6915 -6.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4221 -0.6483 -4.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5594 -2.0628 -5.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0053 -1.4302 -3.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -0.5654 -3.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5223 0.4025 -5.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7641 -1.3464 -5.2676 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 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 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 21 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 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 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 21 90 1 1 22 91 1 0 22 92 1 0 26 93 1 0 26 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 30100 1 0 31101 1 6 32102 1 0 33103 1 0 34104 1 0 35105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 39110 1 0 40111 1 0 41112 1 0 42113 1 1 43114 1 0 44115 1 0 44116 1 0 45117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 58130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 59135 1 0 60136 1 0 60137 1 0 60138 1 0 M CHG 2 53 -1 57 1 M END