HMDB0286402 RDKit 3D PC(18:3(9,11,15)-OH(13)/18:1(11Z)) 135134 0 0 0 0 0 0 0 0999 V2000 -6.3653 -4.5272 -3.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0875 -3.8835 -2.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8861 -2.3880 -2.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3445 -1.8018 -1.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1402 -0.3395 -1.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6352 -0.0798 -1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2886 -0.7355 0.0245 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8886 -0.6000 -2.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9088 -1.4574 -2.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -2.0338 -3.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 -2.8976 -2.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3106 -3.5008 -3.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1252 -3.3465 -3.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8852 -2.1067 -3.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -1.2062 -5.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5426 -0.4703 -5.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 0.5466 -4.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9423 1.2885 -4.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2543 2.4117 -3.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7894 3.4302 -4.2041 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 2.6158 -2.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4716 3.8982 -1.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2627 4.1485 -0.3033 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2471 3.9000 0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3277 4.4126 1.4322 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7753 4.2361 2.2182 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3637 5.5858 2.6492 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9218 3.4818 1.2492 O 0 0 0 0 0 1 0 0 0 0 0 0 1.5900 3.3616 3.6633 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7219 2.6684 4.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4789 1.8908 5.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6171 1.1449 5.7562 N 0 0 0 0 0 4 0 0 0 0 0 0 4.1861 1.6435 7.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6411 1.0398 4.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1902 -0.2341 6.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9282 3.4199 0.7156 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4077 4.1277 1.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2269 5.4132 1.7495 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0609 3.5419 2.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6954 2.2351 2.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9349 1.0621 2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6602 0.7217 3.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2177 -0.6225 2.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1424 -1.0513 2.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5019 -2.4016 2.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5221 -2.7669 1.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3847 -2.1079 0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 -2.1966 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 -1.1927 0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 0.2242 0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9737 0.8631 -0.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 0.8390 -0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9551 1.5933 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4715 1.5287 0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1508 2.1081 -0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0536 -5.2008 -4.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9164 -3.8137 -4.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 -5.1896 -3.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1890 -4.1160 -2.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7313 -4.3042 -1.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2089 -1.8095 -3.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0325 -2.4003 -0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5033 0.2226 -2.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6125 0.0652 -0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 1.0115 -1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0805 -0.8908 0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1188 -0.3094 -3.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6772 -1.7509 -1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3362 -1.7482 -4.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9843 -3.1370 -1.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7814 -3.3211 -4.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5148 -4.6326 -3.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6239 -4.0793 -4.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4743 -3.8867 -2.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6922 -1.4553 -3.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9831 -2.3702 -3.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1699 -1.6665 -6.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6122 -0.4041 -4.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3855 -1.0513 -5.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5581 0.1863 -6.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 2.0849 -0.2653 6.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8541 4.2588 3.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3424 3.5327 3.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5702 2.3443 2.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2374 1.9909 3.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6058 0.1624 2.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7655 1.1277 1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8861 1.4944 2.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7257 0.6589 4.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9428 -1.4042 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2344 -0.5689 1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0877 -1.0120 4.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 -0.2453 2.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -3.1184 3.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4884 -2.6956 2.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -2.7636 0.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -3.8881 1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2633 -2.7351 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0325 -1.1187 -0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2695 -3.2133 0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7029 -1.3690 0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5887 0.7903 1.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1734 0.4000 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6645 1.9368 -0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 0.3237 -1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7849 -0.2341 -0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8948 1.2822 -1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5372 1.2099 1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7058 2.6670 0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7727 2.1419 1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7827 0.4681 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1547 2.5234 -0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3316 1.2635 -1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5306 2.8880 -1.0156 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 1 0 19 20 2 0 19 21 1 0 21 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 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 39 1 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 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 22 85 1 0 22 86 1 0 23 87 1 6 24 88 1 0 24 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 33 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 35102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 55135 1 0 M CHG 2 28 -1 32 1 M END