Accord 08271317192D Structure generated using tools available at www.lipidmaps.org 185195 0 0 0 0 0 0 0 0999 V2000 24.4092 7.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8228 7.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2361 7.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7483 6.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0702 6.6154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4558 6.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4558 5.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8693 6.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1420 8.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4958 8.1055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2785 6.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6873 6.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0961 6.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5049 6.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9138 6.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6447 7.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0535 7.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4623 7.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8712 7.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2799 7.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6889 7.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0976 7.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5064 7.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9138 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5064 6.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8587 6.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2110 6.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5632 6.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9154 6.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2677 6.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2717 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6297 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9876 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3455 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7034 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0613 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4192 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7771 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1350 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4929 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8508 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2087 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5666 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9245 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2824 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6403 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9982 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3562 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4636 9.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7098 9.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9513 9.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5593 9.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3131 9.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9626 9.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8022 9.0188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3802 9.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1379 9.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0716 9.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3715 10.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6015 9.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8476 9.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0892 9.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6971 10.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4510 9.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1004 10.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9401 9.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5181 9.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6883 10.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2095 10.0685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5093 10.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7341 8.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9803 9.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2218 8.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8298 9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5836 9.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2331 9.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0727 8.7335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6507 9.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4084 9.3105 0.0000 O 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 11.4984 8.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3380 7.6705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9160 7.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6737 8.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6075 8.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9073 8.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2319 7.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4938 7.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8904 7.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1321 7.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 7.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6198 7.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2277 7.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9816 7.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6310 7.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4707 7.1390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0487 7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2189 8.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7401 7.9425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0399 8.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3885 7.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7710 7.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 6.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7062 6.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3236 6.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9538 6.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1004 6.9076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0264 5.9302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4305 6.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6088 7.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 7.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 6.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 6.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9712 6.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2382 9.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6991 10.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9451 10.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9533 11.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4925 10.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2938 11.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6056 10.0085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5315 10.9857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4667 11.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2465 10.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7855 11.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4300 9.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5599 9.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1361 10.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7475 10.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9937 10.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2352 10.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8432 10.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5970 10.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2465 10.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0861 10.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6641 10.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8343 11.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3555 10.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6553 11.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0039 10.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2454 10.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6937 9.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0106 10.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7691 10.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3643 10.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4980 10.0929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1242 9.6224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8328 10.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3209 10.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5765 10.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4909 9.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8118 9.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 9.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6735 10.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6806 9.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0259 9.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4156 8.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5505 9.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2336 9.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0398 9.8460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9047 8.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6446 8.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2052 9.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 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0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 105112 1 0 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 119123 1 0 0 0 0 137138 1 1 0 0 0 139138 1 1 0 0 0 140139 1 1 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 141146 1 0 0 0 0 137146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 148149 1 0 0 0 0 148150 2 0 0 0 0 97137 1 0 0 0 0 151152 1 1 0 0 0 153152 1 1 0 0 0 154153 1 1 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 155160 1 0 0 0 0 151160 1 0 0 0 0 152157 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 156161 1 0 0 0 0 144151 1 0 0 0 0 162163 1 1 0 0 0 164163 1 1 0 0 0 165164 1 1 0 0 0 165166 1 0 0 0 0 166167 1 0 0 0 0 166171 1 0 0 0 0 162171 1 0 0 0 0 163168 1 0 0 0 0 164169 1 0 0 0 0 165170 1 0 0 0 0 167172 1 0 0 0 0 168173 1 0 0 0 0 173174 1 0 0 0 0 173175 2 0 0 0 0 158162 1 0 0 0 0 176177 1 1 0 0 0 177178 1 1 0 0 0 179178 1 1 0 0 0 179180 1 0 0 0 0 180181 1 0 0 0 0 180185 1 0 0 0 0 177182 1 0 0 0 0 178183 1 0 0 0 0 179184 1 0 0 0 0 176185 1 0 0 0 0 157176 1 0 0 0 0 M END > LMISSP0504BL08 > > GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3(GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C120H210N6O57 > 2647.37 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260907 > - > - > Active (generated by computational methods) > - $$$$