Accord 08271317182D 149157 0 0 0 0 0 0 0 0999 V2000 24.3405 7.0157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6857 7.3928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0306 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7191 6.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9619 6.3608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 7.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2759 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2759 5.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6211 6.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0422 8.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3206 8.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9614 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3013 6.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6412 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9811 6.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3210 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6609 6.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0008 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3407 6.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6806 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0205 6.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3604 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7003 6.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0402 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3801 6.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7200 5.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0599 6.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3702 7.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7101 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 7.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3899 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7298 7.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0697 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4096 7.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7495 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0894 7.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4293 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7692 7.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1091 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4491 7.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7890 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 9.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5594 9.4237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7125 9.2018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2747 9.9599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1164 9.7195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7250 9.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6626 9.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0748 9.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8042 9.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 9.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1816 10.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2053 9.4580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3635 9.6986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5167 9.4768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0789 10.2349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9206 9.9944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5292 10.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4667 9.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8790 9.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0691 10.7280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7676 10.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9858 10.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0036 8.8645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1619 9.1051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3150 8.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8773 9.6414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7190 9.4009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3276 9.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2651 8.7255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6773 9.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4067 9.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5660 9.6227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7841 9.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1466 8.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4391 8.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7653 8.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8020 8.2710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9603 8.5117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1134 8.2898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6756 9.0479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5174 8.8074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1259 9.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0635 8.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4757 8.4607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6658 9.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3643 9.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5825 9.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6004 7.6775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7586 7.9182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9118 7.6963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4740 8.4544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3157 8.2140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9243 8.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8618 7.5386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2741 7.8672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0035 8.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1627 8.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3809 8.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7434 7.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0358 7.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3621 7.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3987 7.0840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5570 7.3247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7101 7.1028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2724 7.8610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1141 7.6205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7227 7.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6602 6.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0724 7.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 8.3541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9611 7.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 8.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1995 6.9451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8193 6.2867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0840 6.4794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1688 6.2704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7331 6.9289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2446 6.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3731 6.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6994 6.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1688 5.7682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4686 6.7363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9836 9.8929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3816 10.5285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5397 10.7686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5489 11.6440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1509 11.0085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9290 11.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2772 10.1492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0778 11.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0055 11.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9928 10.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4781 11.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0812 10.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2262 9.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7529 10.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2025 10.4571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3608 10.6978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5139 10.4759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0761 11.2341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9178 10.9936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5264 11.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4640 10.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8762 10.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0663 11.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7648 11.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9830 11.5262 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 116117 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 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 110115 1 0 0 0 0 125126 1 1 0 0 0 127126 1 1 0 0 0 128127 1 1 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129134 1 0 0 0 0 125134 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 136137 1 0 0 0 0 136138 2 0 0 0 0 89125 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 132139 1 0 0 0 0 M END > LMISSP0504AY02 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C96H170N4O47 > 2131.10 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260805 > - > - > Active (generated by computational methods) > - $$$$