Accord 08271317192D 163172 0 0 0 0 0 0 0 0999 V2000 24.4886 6.9077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9810 7.1999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4732 6.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7821 6.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1951 6.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6633 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6633 5.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1557 6.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2573 7.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6980 7.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6442 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1325 6.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6208 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1091 6.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5974 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9612 7.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4495 6.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9378 7.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4261 6.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9143 7.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4027 6.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8909 7.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3792 6.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5974 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3792 6.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8184 6.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2578 6.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6971 6.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1363 6.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5757 6.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0416 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4858 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9300 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3742 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8184 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2626 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7068 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1510 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5952 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0394 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4836 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9278 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3720 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8162 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5357 8.5881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8832 8.7746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2267 8.6026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8873 9.1904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5398 9.0039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2364 9.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9632 8.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7323 8.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5225 8.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1964 9.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5903 9.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0582 8.8012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4057 8.9878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7492 8.8158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4098 9.4035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0623 9.2171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7589 9.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4857 8.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2548 8.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4022 9.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7189 9.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1128 9.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5762 8.3411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9237 8.5277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2672 8.3557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9278 8.9434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5804 8.7570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2769 8.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0037 8.2334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7728 8.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5631 8.7328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2369 8.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6309 9.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9119 8.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1386 7.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6163 8.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0988 8.5543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4462 8.7408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7897 8.5688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4504 9.1566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1029 8.9701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7994 9.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5262 8.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2954 8.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4427 9.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7595 9.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1534 9.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6168 8.0942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9643 8.2808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3078 8.1088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9684 8.6965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6209 8.5101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3175 8.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0443 7.9865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8134 8.2413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6036 8.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2775 8.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6714 8.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9524 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1791 7.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6568 7.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1393 8.3073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4868 8.4939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8303 8.3219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4909 8.9096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1434 8.7232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8400 8.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5668 8.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3359 8.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4833 9.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 8.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1939 9.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6573 7.8473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0048 8.0338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3483 7.8618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0089 8.4496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6614 8.2631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3580 8.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0848 7.7395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8539 7.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6441 8.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3180 8.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7119 8.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9929 7.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2197 7.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6974 7.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1798 8.0604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5273 8.2470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8708 8.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5314 8.6627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1840 8.4763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8805 8.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6073 7.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3764 8.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5238 9.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8405 8.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2345 8.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2825 7.9229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2886 7.3336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7219 7.1720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1937 6.6714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3104 7.3334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0361 7.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5996 7.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6170 6.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 6.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8771 7.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2014 8.4168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2075 7.8275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6408 7.6658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1126 7.1652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2293 7.8273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9550 7.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5185 8.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5360 7.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3108 6.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7960 7.9890 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 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 77 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 102108 1 0 0 0 0 119120 1 1 0 0 0 121120 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 119128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 115119 1 0 0 0 0 133134 1 1 0 0 0 135134 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 133142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 138143 1 0 0 0 0 127133 1 0 0 0 0 144145 1 1 0 0 0 145146 1 1 0 0 0 147146 1 1 0 0 0 147148 1 0 0 0 0 148149 1 0 0 0 0 148153 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 144153 1 0 0 0 0 126144 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 76154 1 0 0 0 0 M END > LMISSP0505CH04 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C106H188N4O51 > 2333.22 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261447 > - > - > Active (generated by computational methods) > - $$$$