Accord 08271317192D 147154 0 0 0 0 0 0 0 0999 V2000 24.3201 7.5373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6451 7.9258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9699 7.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7103 6.8622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9298 6.8622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2227 6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2227 5.6825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5478 6.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0126 8.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2688 8.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8677 6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1873 6.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5069 6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8265 6.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1462 6.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2892 7.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6088 7.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9284 7.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2480 7.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5676 7.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8873 7.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2069 7.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5265 7.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1462 5.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5265 6.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7809 6.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0355 6.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2899 6.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5444 6.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7989 6.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4073 5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6683 5.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9293 5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1903 5.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4513 5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7123 5.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9733 5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2343 5.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4953 5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7563 5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0173 5.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2783 5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5393 5.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8003 5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0613 5.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3223 5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 5.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8443 5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3827 9.7716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5151 10.0196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6422 9.7909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1909 10.5724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0585 10.3245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6551 10.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6214 9.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9848 9.9671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7059 10.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9315 10.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1257 10.8735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0886 10.0550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2210 10.3030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3481 10.0743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8968 10.8558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7644 10.6079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3610 10.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3274 9.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6908 10.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8867 11.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6374 10.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8316 11.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7885 9.4432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9209 9.6913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0480 9.4626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5968 10.2441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4644 9.9962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0609 10.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0273 9.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3907 9.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1117 9.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3374 10.2248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5315 10.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9051 9.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2066 8.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5121 9.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4944 9.7266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6268 9.9747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7539 9.7460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3027 10.5275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1703 10.2796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7668 10.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7332 9.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0966 9.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2925 11.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0433 10.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2374 10.8285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1943 9.1149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3267 9.3630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4538 9.1343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0026 9.9157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8702 9.6679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4667 9.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4331 8.9717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7965 9.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5176 9.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7432 9.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9373 10.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3110 8.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6124 8.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9180 8.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9002 9.3983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0326 9.6464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1597 9.4177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7085 10.1991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5761 9.9513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1726 10.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 9.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5024 9.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6983 10.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4491 10.1799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6432 10.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6201 11.3984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9996 12.0535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1318 12.3010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1412 13.2034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7618 12.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5331 12.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8920 11.6626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6557 12.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5812 13.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6296 12.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0990 12.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6899 11.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8394 11.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3516 11.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9638 12.9718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3434 13.6270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4756 13.8745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4850 14.7768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1055 14.1218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8768 14.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2358 13.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9995 14.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7350 15.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9733 13.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4428 14.5601 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 2 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 97123 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 131137 1 0 0 0 0 M END > LMSP0505AP08 > > Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C98H174N4O43 > 2095.16 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261099 > - > - > Active (generated by computational methods) > - $$$$