Accord 08271317192D 172182 0 0 0 0 0 0 0 0999 V2000 24.5000 6.8628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0035 7.1485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5070 6.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7870 6.3663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2130 6.3663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9966 7.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6929 6.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6929 5.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1965 6.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2738 7.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7268 7.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6964 6.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1960 6.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6956 6.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1952 6.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6949 6.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0064 7.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5060 6.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0056 7.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5052 6.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0048 7.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5045 6.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0041 7.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5037 6.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6949 5.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5037 6.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9554 6.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4071 6.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8588 6.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3105 6.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7623 6.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1514 5.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6080 5.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0645 5.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5210 5.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9775 5.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4340 5.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8905 5.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3470 5.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5460 8.5059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9079 8.6884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2660 8.5202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.9341 9.0949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5722 8.9126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2755 9.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9862 8.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7825 8.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5774 8.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2142 9.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6216 9.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1234 8.7144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4853 8.8968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8434 8.7286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5115 9.3033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1496 9.1210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8529 9.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5636 8.6090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3599 8.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5040 9.6771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7916 9.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1989 9.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6964 8.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0583 8.4469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4163 8.2787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0845 8.8534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7226 8.6711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4258 8.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1365 8.1591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9329 8.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7278 8.6475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3646 8.8392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7719 9.0748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0467 8.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2684 7.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7577 8.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2738 8.4729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6357 8.6553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9937 8.4871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6619 9.0618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3000 8.8795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0032 9.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7139 8.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5103 8.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6544 9.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9420 9.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3493 9.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8468 8.0230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2087 8.2054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5667 8.0373 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2349 8.6120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8730 8.4297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5762 8.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2869 7.9177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0833 8.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8782 8.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5150 8.5978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9223 8.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1971 7.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4188 7.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9081 7.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4242 8.2314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7861 8.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1441 8.2457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8123 8.8204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4503 8.6381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1536 8.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8643 8.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6607 8.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8048 9.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0924 8.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4997 9.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9972 7.7815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3591 7.9640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7171 7.7958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3853 8.3705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0233 8.1882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7266 8.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4373 7.6762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2337 7.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0286 8.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6654 8.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0727 8.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3475 7.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5692 7.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0585 7.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5746 7.9900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9365 8.1724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2945 8.0042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9627 8.5789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6007 8.3966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3040 8.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0147 7.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8111 8.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9552 8.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2428 8.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6501 8.8003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6655 7.8846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3773 7.3856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8198 7.5316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1261 7.3732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5539 7.8723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1836 7.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7971 7.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5283 7.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1261 6.9925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1114 7.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8953 9.7024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4390 10.1842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8008 10.3662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8077 11.0298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2641 10.5481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0959 10.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3599 9.8967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4507 10.7238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3958 11.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9023 10.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5121 10.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2112 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3212 9.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9624 9.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9418 10.8595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4855 11.3413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8473 11.5234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8542 12.1870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3106 11.7052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1424 12.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4064 11.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4972 11.8810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0381 12.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9488 11.5231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5586 12.0276 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 109113 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 121127 1 0 0 0 0 138139 1 1 0 0 0 139140 1 1 0 0 0 141140 1 1 0 0 0 141142 1 0 0 0 0 142143 1 0 0 0 0 142147 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 138147 1 0 0 0 0 133138 1 0 0 0 0 148149 1 1 0 0 0 150149 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 148157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 159160 1 0 0 0 0 159161 2 0 0 0 0 87148 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 156162 1 0 0 0 0 M END > LMISSP0505EO01 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C108H189N5O57 > 2468.20 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261836 > - > - > Active (generated by computational methods) > - $$$$