HMDB0286826 RDKit 3D PC(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)-O(14R,15S)) 133133 0 0 0 0 0 0 0 0999 V2000 3.6718 2.4099 8.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8488 0.9578 8.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6674 0.4950 7.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6615 0.0559 6.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8670 -0.0337 5.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0696 -1.4267 5.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0916 -1.7626 4.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9229 -0.8294 2.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7631 -1.2287 2.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -0.5568 1.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5732 0.8322 2.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4207 0.9140 3.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5785 1.7223 3.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8697 2.7540 2.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 3.1806 1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 4.4006 0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0698 4.8120 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1285 3.6968 -1.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7541 3.7017 -2.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0437 2.6752 -1.6286 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9318 1.6998 -2.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 0.6103 -2.4900 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3788 1.1537 -2.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 2.0154 -1.4429 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1255 2.6575 -1.4504 P 0 0 0 0 0 5 0 0 0 0 0 0 6.1079 1.6204 -1.8833 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0959 3.9260 -2.6007 O 0 0 0 0 0 1 0 0 0 0 0 0 5.5186 3.3178 0.0556 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.5905 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4249 5.2321 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2782 5.3804 2.0518 N 0 0 0 0 0 4 0 0 0 0 0 0 4.0844 5.7780 1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5608 6.3869 3.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9573 4.1459 2.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7886 -0.2754 -3.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3692 -1.5607 -3.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 -1.9005 -2.1185 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1386 -2.5620 -4.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 -3.8412 -3.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8404 -3.6699 -3.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7677 -3.1471 -4.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4063 -2.0179 -4.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2971 -1.0981 -2.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6385 -0.9400 -2.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9173 -1.2379 -1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0264 -1.7644 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1904 -2.9730 0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1117 -3.8492 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3453 -3.9095 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3981 -5.2301 -0.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7008 -5.3555 -1.6467 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3722 -5.4460 -2.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 -4.4798 -3.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2853 -5.2070 -4.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1725 -4.2226 -5.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1991 -4.8908 -7.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4822 -5.6622 -7.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1351 3.0337 8.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6158 2.7183 9.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2367 2.6362 9.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8109 0.8739 8.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8826 0.3729 9.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7008 0.5303 8.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6971 -0.2621 6.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7031 0.6991 4.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7672 0.2381 6.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.1623 6.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2485 -2.8228 3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8225 -1.1102 2.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1109 0.2152 3.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -2.2483 1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8505 -0.8829 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4763 1.4693 1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5219 1.1453 2.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4411 0.1480 4.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3807 1.5666 4.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0283 3.7303 2.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9901 2.6304 2.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9011 3.5973 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0918 2.4202 0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7992 5.2507 1.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7829 4.0843 0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1045 4.9927 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3648 5.7322 -1.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0445 1.1798 -2.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 2.1355 -3.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8146 0.1039 -1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0832 0.3142 -2.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6418 1.6445 -3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3836 5.1967 -0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0058 4.4615 -0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9487 6.1795 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1344 4.5326 1.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7809 5.0095 0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2606 5.7642 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1132 6.7993 0.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5228 6.1209 3.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 6.4349 3.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7194 7.3710 2.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8232 4.3081 3.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8269 3.4458 2.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 3.6890 2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5203 -2.0578 -5.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1091 -2.8114 -4.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2396 -4.2949 -3.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4612 -4.5213 -4.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1647 -4.7404 -3.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8202 -3.1910 -2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9075 -3.7860 -5.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0855 -1.7367 -4.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -1.3823 -2.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9456 -0.0705 -3.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4764 -0.5460 -2.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9761 -1.0075 -0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8564 -0.8989 0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9684 -1.7447 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3204 -3.2191 1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9923 -4.7520 1.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1803 -4.0228 0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6591 -3.0807 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3757 -6.0872 -0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1648 -6.5107 -2.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1679 -3.8331 -3.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4093 -3.8007 -3.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3132 -5.6539 -4.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5725 -6.0268 -4.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 -3.6832 -5.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9886 -3.4767 -5.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3769 -5.5965 -7.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1119 -4.1001 -8.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5100 -5.9232 -8.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3411 -5.0227 -7.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4449 -6.6189 -6.9227 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 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 55 56 1 0 56 57 1 0 52 50 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 0 21 86 1 0 22 87 1 1 23 88 1 0 23 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 32 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 34102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 52122 1 0 53123 1 0 53124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 57133 1 0 M CHG 2 27 -1 31 1 M END