Accord 08271317192D 163172 0 0 0 0 0 0 0 0999 V2000 24.3404 7.0134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6858 7.3904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0310 7.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.3589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9620 6.3589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2762 5.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2762 5.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6217 6.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0422 8.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3210 8.0220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9622 5.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3023 6.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6426 5.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9827 6.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3229 5.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6631 6.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0033 5.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3434 6.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6837 5.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0238 6.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3639 5.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7042 6.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0443 5.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3845 6.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7247 5.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0649 6.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 5.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7452 6.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0854 5.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4256 6.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3710 7.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7111 7.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0512 7.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3915 7.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7316 7.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0718 7.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4120 7.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7522 7.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0923 7.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4326 7.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7727 7.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1128 7.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4531 7.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7932 7.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4010 9.1811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5593 9.4217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7124 9.1999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2746 9.9580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1163 9.7175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7249 9.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6625 9.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0746 9.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8040 9.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9633 9.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1815 10.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2050 9.4560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3633 9.6967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5163 9.4748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0786 10.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9203 9.9925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5289 10.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4665 9.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8786 9.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0687 10.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7673 10.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9855 10.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0032 8.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1614 9.1032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3145 8.8813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8767 9.6395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7185 9.3990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3270 9.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2646 8.7235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6768 9.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4061 9.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5655 9.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7836 9.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1461 8.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4386 8.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7648 8.5388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8014 8.2690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9596 8.5097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1127 8.2878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6749 9.0460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5167 8.8055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1252 9.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0628 8.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4749 8.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6650 9.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3637 9.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5818 9.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5995 7.6755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7578 7.9162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9109 7.6943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4731 8.4525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3148 8.2119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9234 8.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8610 7.5365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2731 7.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0025 8.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1618 8.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3800 8.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 7.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0350 7.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3612 7.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3977 7.0820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5560 7.3226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7090 7.1007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2712 7.8589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1130 7.6184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7216 7.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 6.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0713 7.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2614 8.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 7.8402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1782 8.1510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1984 6.9430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8182 6.2846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0828 6.4773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1676 6.2683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7319 6.9268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2434 6.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3720 6.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6982 6.0927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1676 5.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4674 6.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9829 9.8910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3809 10.5266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5389 10.7667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5480 11.6422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1501 11.0067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9282 11.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2765 10.1473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0770 11.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0046 11.6479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9921 10.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4773 11.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0804 10.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2254 9.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7521 10.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4057 11.4176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8037 12.0532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9617 12.2933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9709 13.1688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5730 12.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3511 12.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 11.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4998 12.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2134 13.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4149 12.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9002 12.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2386 11.6739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8584 11.0155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1229 11.2082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2077 10.9992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7720 11.6577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2836 11.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4122 11.1640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7383 10.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2077 10.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5076 11.4651 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 16 17 1 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 24 25 1 0 0 0 0 25 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 3 32 2 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 76 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 101108 1 0 0 0 0 119120 1 1 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 119128 1 0 0 0 0 114119 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 140141 1 0 0 0 0 140142 2 0 0 0 0 93129 1 0 0 0 0 143144 1 1 0 0 0 145144 1 1 0 0 0 146145 1 1 0 0 0 146147 1 0 0 0 0 147148 1 0 0 0 0 147152 1 0 0 0 0 143152 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 148153 1 0 0 0 0 137143 1 0 0 0 0 154155 1 1 0 0 0 155156 1 1 0 0 0 157156 1 1 0 0 0 157158 1 0 0 0 0 158159 1 0 0 0 0 158163 1 0 0 0 0 155160 1 0 0 0 0 156161 1 0 0 0 0 157162 1 0 0 0 0 154163 1 0 0 0 0 149154 1 0 0 0 0 M END > LMISSP0504BB04 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C106H188N4O51 > 2333.22 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260831 > - > - > Active (generated by computational methods) > - $$$$