HMDB0288977 RDKit 3D PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/DiMe(11,3)) 142142 0 0 0 0 0 0 0 0999 V2000 -6.3921 5.2172 1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3507 5.7317 2.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2501 7.1850 2.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1649 7.8426 1.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 7.2099 1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7525 7.5618 2.5062 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1189 7.1616 3.7947 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5459 6.7494 2.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2137 6.4987 0.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9606 5.7014 0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3133 5.4319 -0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4936 4.6227 -0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9372 4.2901 -2.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2447 4.7395 -3.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6637 4.3828 -4.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8648 3.4938 -4.7371 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2525 3.6580 -6.0744 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3025 2.0844 -4.6346 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2114 2.0758 -5.5343 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2205 1.0045 -5.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4909 0.8647 -4.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3099 0.7149 -2.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4401 -0.4339 -2.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1053 -1.2491 -3.2776 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0415 -0.5342 -1.0533 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1955 -1.5903 -0.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 -1.6067 0.7806 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2756 -1.8590 1.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1861 -0.9233 0.9702 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 -1.1194 1.6080 P 0 0 0 0 0 5 0 0 0 0 0 0 6.6209 -1.9708 2.8524 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3068 0.4079 2.0306 O 0 0 0 0 0 1 0 0 0 0 0 0 7.7626 -1.8436 0.4523 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0581 -2.8067 -0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0121 -3.4019 -1.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4076 -4.4101 -2.1064 N 0 0 0 0 0 4 0 0 0 0 0 0 7.0106 -3.7570 -3.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1986 -4.9703 -1.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2725 -5.5078 -2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9706 -2.5361 1.2115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9088 -2.1345 1.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8722 -0.8802 2.2735 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1673 -2.9956 2.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0703 -2.2033 3.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1455 -3.1379 3.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0666 -2.4436 4.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1402 -3.3469 5.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1619 -3.8198 4.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1576 -2.8859 3.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8521 -1.6953 3.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1484 -1.8270 1.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8946 -2.7093 0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1430 -2.7243 -0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3587 -3.6585 -0.8372 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8515 -3.3434 -2.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9175 -4.1752 -2.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5544 -4.8653 -3.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4661 -5.6905 -4.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3462 -2.1122 -2.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1076 -1.2958 -3.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1852 -1.7053 -1.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9569 -0.4151 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2912 5.7763 0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1341 4.1664 0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4108 5.2374 1.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7486 5.4376 3.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4308 5.1946 2.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1337 7.8118 2.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1574 8.9619 1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8977 6.1390 1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6268 7.6649 0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5767 8.6283 2.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3444 6.1969 3.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0661 6.3626 2.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8064 6.8830 0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5907 5.3000 1.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6683 5.8563 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 4.2558 -0.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8412 3.6703 -2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 5.3745 -3.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1486 4.7222 -5.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6619 3.7189 -4.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7597 4.4929 -6.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8275 1.9232 -3.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 1.2631 -6.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 1.2072 -6.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6313 0.0526 -5.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1866 1.6761 -4.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9930 -0.0729 -4.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9679 1.5954 -2.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3433 0.5083 -2.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7877 -2.5331 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3212 -1.6210 -1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -0.5957 1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5108 -2.8977 1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2014 -1.7517 2.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6423 -3.5907 0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2064 -2.3030 -0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8256 -3.9175 -0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4284 -2.5900 -1.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0231 -4.4787 -4.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6686 -2.9229 -3.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9710 -3.3689 -3.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3451 -5.3856 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9112 -5.8125 -2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3463 -4.2472 -1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3302 -5.3464 -2.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2318 -5.7509 -3.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9241 -6.4706 -1.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7305 -3.5601 1.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3497 -3.7440 3.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5651 -1.3929 2.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4825 -1.8249 4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5988 -3.9796 4.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7439 -3.4706 3.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 -2.1974 5.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3548 -1.4915 4.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6576 -4.2069 5.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 -2.7851 6.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7498 -4.6280 5.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7155 -4.4242 3.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7717 -2.5102 4.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9877 -3.4520 3.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8757 -1.2316 2.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3913 -0.8581 3.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 -2.1192 1.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1622 -0.7947 1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9227 -2.3109 0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9992 -3.7239 1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0451 -3.5633 -3.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4594 -4.9835 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3267 -5.5688 -3.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9227 -4.1506 -4.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4468 -5.2528 -4.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5748 -5.6388 -5.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4429 -6.7226 -4.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0997 -0.2181 -3.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -1.4984 -4.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9539 -1.4182 -4.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4834 -0.3662 -2.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2403 0.4304 -1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6545 -0.4113 -0.4439 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 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 2 0 41 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 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 57 58 1 0 55 59 2 0 59 60 1 0 59 61 1 0 61 62 1 0 61 53 2 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 1 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 16 82 1 1 17 83 1 0 18 84 1 1 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 1 28 95 1 0 28 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 37101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 39109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 60137 1 0 60138 1 0 60139 1 0 62140 1 0 62141 1 0 62142 1 0 M CHG 2 32 -1 36 1 M END