Accord 08271317192D 167176 0 0 0 0 0 0 0 0999 V2000 24.4816 6.9337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9669 7.2299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4521 6.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7791 6.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1840 6.4190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6449 6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6449 5.5195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1302 6.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2471 7.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6800 7.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6117 6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0930 6.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5742 6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0554 6.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5367 6.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9331 7.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4143 6.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8956 7.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3768 6.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8579 7.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3393 6.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8204 7.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3016 6.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5367 5.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3016 6.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7332 6.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1648 6.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5963 6.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0279 6.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4595 6.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9732 5.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4098 5.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8463 5.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2828 5.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7194 5.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1559 5.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5924 5.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0290 5.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4655 5.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9021 5.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3386 5.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7751 5.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2117 5.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6482 5.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0847 5.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5213 5.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9578 5.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3944 5.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5293 8.6373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8678 8.8264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2022 8.6520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8582 9.2479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5197 9.0589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2121 9.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9489 8.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7010 8.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4883 9.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1853 9.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5709 9.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0177 8.8533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3561 9.0425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6906 8.8681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3465 9.4639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0080 9.2749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7004 9.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4372 8.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1894 9.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3388 9.8515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6737 9.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0592 9.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5014 8.3869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8399 8.5761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1744 8.4017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8303 8.9975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4918 8.8085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1842 8.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9210 8.2777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6732 8.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4605 8.7840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1575 8.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5430 9.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8279 8.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0578 7.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5283 8.1325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9898 8.6030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3283 8.7922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6627 8.6178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3187 9.2136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9802 9.0246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6726 9.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4094 8.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1615 8.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3109 9.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6458 9.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0314 9.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4736 8.1366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8121 8.3257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1465 8.1514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8025 8.7472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4640 8.5582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1563 8.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8932 8.0274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6453 8.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4326 8.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1296 8.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5152 8.9767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8000 7.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0299 7.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5004 7.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9619 8.3527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3004 8.5418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6348 8.3674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2908 8.9633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9523 8.7743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6447 8.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3815 8.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1337 8.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2831 9.3508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6180 8.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0035 9.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5543 8.5742 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0125 8.1502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7623 7.5092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0781 7.5811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6198 8.0052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2953 7.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3015 8.0404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3591 7.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8361 7.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8701 8.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 8.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3643 7.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6325 7.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1881 7.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6711 6.5672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0096 6.7563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3440 6.5820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0000 7.1778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6615 6.9888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3539 7.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0907 6.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8428 6.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9922 7.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3271 7.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7127 7.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7286 6.4580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4298 5.9406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8519 6.0920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1327 5.9278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5761 6.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1923 6.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8651 6.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5496 5.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1327 5.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 6.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0194 8.2435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0257 7.6460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4511 7.4822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9156 6.9747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0339 7.6458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7559 7.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3409 7.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3448 7.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1166 6.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6085 7.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 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 81 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 106112 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 130137 1 0 0 0 0 148149 1 1 0 0 0 149150 1 1 0 0 0 151150 1 1 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 152157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 148157 1 0 0 0 0 143148 1 0 0 0 0 158159 1 1 0 0 0 159160 1 1 0 0 0 161160 1 1 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 162167 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 158167 1 0 0 0 0 118158 1 0 0 0 0 M END > LMISSP0505AX06 > > Fucalpha1-2Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C110H196N4O51 > 2389.29 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261161 > - > - > Active (generated by computational methods) > - $$$$