Accord 08271317192D 163172 0 0 0 0 0 0 0 0999 V2000 24.3768 7.3209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7582 7.6770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1394 7.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7345 6.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0192 6.7022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 7.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3711 6.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3711 5.6210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7525 6.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0950 8.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4133 8.2741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1292 6.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5056 6.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8820 6.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2584 6.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6349 6.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5155 7.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8919 7.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2683 7.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6448 7.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0211 7.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3976 7.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7740 7.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1504 7.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6349 5.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1504 6.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4671 6.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7838 6.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1005 6.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4172 6.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7340 6.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9576 5.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2803 5.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6030 5.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9257 5.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2484 5.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5711 5.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8938 5.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2165 5.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5392 5.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8619 5.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4342 9.3687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6390 9.5961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8390 9.3865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4254 10.1027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2206 9.8755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8508 10.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7365 9.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2366 9.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9809 9.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0207 10.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2822 10.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4151 9.6284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6199 9.8558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8199 9.6462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4064 10.3624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2015 10.1352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8317 10.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7174 9.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2175 9.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3970 10.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0016 10.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2631 10.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3905 9.0678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5954 9.2951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7953 9.0855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3818 9.8017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1769 9.5746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8072 9.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6929 8.9365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1929 9.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9372 9.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9771 9.7841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2385 10.0777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5809 8.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8572 8.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2207 8.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3714 9.3275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5763 9.5549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7762 9.3453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3627 10.0615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1578 9.8343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7881 10.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6738 9.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1738 9.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3534 10.5274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9580 10.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2194 10.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6536 10.8597 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8584 11.0871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0584 10.8775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6448 11.5937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4400 11.3665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0702 11.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9559 10.7284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4559 11.0389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2003 11.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2401 11.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5015 11.8696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8440 10.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1203 10.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4838 10.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6345 11.1194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8393 11.3468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0393 11.1372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6257 11.8534 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4209 11.6262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0511 11.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9368 10.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4368 11.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6164 12.3193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2210 11.8357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4824 12.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5016 10.9882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1424 10.3662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4477 10.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5832 10.3508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1163 10.9729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6548 10.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6656 10.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0844 10.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5832 9.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8111 10.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7405 11.3857 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9404 11.1766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3584 10.5890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6378 10.9950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4379 11.2041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0110 11.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2068 10.9176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7577 10.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 11.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0200 11.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2348 11.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1993 10.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5378 10.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8893 10.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3469 8.7669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5467 8.5578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9647 7.9701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2442 8.3761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0443 8.5853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6173 8.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8132 8.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3640 7.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9922 7.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6264 9.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8411 9.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8057 8.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1442 8.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4956 7.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4264 7.7113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8577 8.3117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0624 8.5385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0710 9.3656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6398 8.7652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4301 9.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7591 7.9534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6260 8.9842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3001 9.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4351 8.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9489 9.1669 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 89 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 116117 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 110115 1 0 0 0 0 125126 1 1 0 0 0 127126 1 1 0 0 0 128127 1 1 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129134 1 0 0 0 0 125134 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 136137 1 0 0 0 0 136138 2 0 0 0 0 111125 1 0 0 0 0 139140 1 1 0 0 0 141140 1 1 0 0 0 142141 1 1 0 0 0 142143 1 0 0 0 0 143144 1 0 0 0 0 143148 1 0 0 0 0 139148 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 150151 1 0 0 0 0 150152 2 0 0 0 0 86139 1 0 0 0 0 153154 1 1 0 0 0 155154 1 1 0 0 0 156155 1 1 0 0 0 156157 1 0 0 0 0 157158 1 0 0 0 0 157162 1 0 0 0 0 153162 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 156161 1 0 0 0 0 158163 1 0 0 0 0 147153 1 0 0 0 0 M END > LMSP0505EI02 > > Fucalpha1-2(GalNAcalpha1-3)Galbeta1-4GlcNAcbeta1-6(Galbeta1-4GlcNAcbeta1-3)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C104H183N5O52 > 2334.18 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261797 > - > - > Active (generated by computational methods) > - $$$$