Accord 08271317192D 163172 0 0 0 0 0 0 0 0999 V2000 24.4094 7.0880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8228 7.4258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2361 7.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7484 6.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0703 6.5015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4558 6.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4558 5.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8693 6.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1421 7.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4959 7.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2784 6.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6872 6.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0960 6.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5048 6.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9136 6.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3223 6.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7311 6.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1399 6.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5487 6.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9575 6.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3662 6.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7750 6.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1838 6.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5926 6.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0014 6.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4101 6.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6446 7.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0534 7.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4622 7.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8710 7.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2797 7.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6885 7.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0973 7.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5061 7.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9149 7.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3236 7.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7324 7.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1412 7.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5501 7.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9588 7.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4636 9.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7097 9.2447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9512 9.0460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5591 9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3130 9.5096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9624 9.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8021 8.9047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3800 9.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1376 9.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0716 9.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3713 9.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6012 9.2754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8473 9.4910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0888 9.2923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6968 9.9713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4506 9.7559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1001 9.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9398 9.1510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5177 9.4453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6879 10.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2092 9.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5090 10.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7337 8.7439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9798 8.9594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2213 8.7607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8292 9.4397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5831 9.2243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2325 9.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0722 8.6194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6501 8.9138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4078 9.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3417 9.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6414 9.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9661 8.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2280 8.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6246 8.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8661 8.2123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1123 8.4279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3538 8.2291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9617 8.9082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7155 8.6928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3650 8.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2047 8.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7826 8.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9528 9.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4741 8.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7739 9.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9986 7.6808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2447 7.8963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4862 7.6976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0941 8.3766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8480 8.1612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4974 8.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3371 7.5563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9150 7.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6727 8.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6066 8.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9063 8.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2310 7.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4929 7.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8895 7.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1310 7.1492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3772 7.3648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6187 7.1660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2266 7.8451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9804 7.6297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6299 7.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4696 7.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0475 7.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2177 8.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7390 7.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0388 8.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3873 7.4017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7697 6.9185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4847 6.1880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7049 6.2699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3223 6.7532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9525 6.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0992 6.7934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0251 5.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 6.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6075 7.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9706 7.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1706 6.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4764 6.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9699 6.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0570 7.0248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0640 6.3439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4093 6.1572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7990 5.5788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9338 6.3437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6169 6.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4233 6.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2881 5.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0280 5.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5886 6.5305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2375 9.6649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6983 10.2342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9443 10.4493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9524 11.2334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4917 10.6642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2930 11.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6048 9.8945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5306 10.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4658 11.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2457 10.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7847 11.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4292 9.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5591 9.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1352 9.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7466 10.1703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9927 10.3859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2342 10.1872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8421 10.8662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5960 10.6508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2454 10.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0851 10.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6630 10.3403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8333 11.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3546 10.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6543 11.1278 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 3 28 2 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 31 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 72 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 86 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 97104 1 0 0 0 0 115116 1 1 0 0 0 117116 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 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 111115 1 0 0 0 0 129130 1 1 0 0 0 130131 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 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 129138 1 0 0 0 0 110129 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 89139 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 146153 1 0 0 0 0 M END > LMISSP0504BG02 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C104H183N5O52 > 2334.18 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260861 > - > - > Active (generated by computational methods) > - $$$$