Accord 08271317192D 151159 0 0 0 0 0 0 0 0999 V2000 24.3400 7.4611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6847 7.8383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0293 7.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.8058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9611 6.8058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2747 6.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2747 5.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6195 6.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0414 8.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3194 8.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9593 6.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2988 6.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6383 6.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9778 6.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3174 6.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3685 7.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7080 7.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0475 7.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3870 7.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7264 7.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0661 7.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4055 7.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7450 7.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3174 5.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7450 6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0212 6.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2976 6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5738 6.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8501 6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1264 6.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6000 5.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8826 5.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1652 5.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4478 5.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7304 5.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0131 5.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2957 5.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5783 5.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8609 5.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1435 5.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4261 5.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7087 5.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4007 9.6301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5585 9.8709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7111 9.6489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2731 10.4075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1153 10.1669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7236 10.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6618 9.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0730 9.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8022 10.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9628 10.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1805 10.6998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2029 9.9052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3607 10.1460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5133 9.9240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0753 10.6826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9175 10.4420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5259 10.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4640 9.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8752 10.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0654 11.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7650 10.6639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9827 10.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9993 9.3114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1571 9.5522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3097 9.3302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8717 10.0888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7139 9.8481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3223 10.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2604 9.1723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6716 9.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4008 9.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5614 10.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7791 10.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1418 8.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4344 8.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7603 8.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8016 9.5865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9593 9.8273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1119 9.6053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6739 10.3639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5161 10.1232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1245 10.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0626 9.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4738 9.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6640 10.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3636 10.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5813 10.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5980 8.9926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7557 9.2334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9083 9.0114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4703 9.7700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3125 9.5294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9209 9.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8590 8.8536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2702 9.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9995 9.4982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1600 9.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3777 10.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 8.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0331 8.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3589 8.6687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4002 9.2677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5580 9.5086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7106 9.2865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2725 10.0452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1148 9.8045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7231 10.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6612 9.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0725 9.4576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2627 10.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9622 10.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1799 10.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2002 9.1287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8198 8.4700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0840 8.6627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1683 8.4536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7329 9.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2442 8.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3739 8.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6992 8.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1683 7.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4688 8.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9820 11.2093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3797 11.8453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5373 12.0856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5464 12.9615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1488 12.3257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9268 12.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2752 11.4658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0751 12.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0027 12.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9913 12.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4762 12.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0791 11.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2242 11.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7506 11.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4035 12.7368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8011 13.3728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9587 13.6130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9678 14.4890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5703 13.8531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3482 14.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6967 12.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4965 14.0851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2105 14.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4127 13.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8977 14.2786 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 112117 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 138139 1 0 0 0 0 138140 2 0 0 0 0 91127 1 0 0 0 0 141142 1 1 0 0 0 143142 1 1 0 0 0 144143 1 1 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 145150 1 0 0 0 0 141150 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 146151 1 0 0 0 0 135141 1 0 0 0 0 M END > LMISSP0505CP03 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C98H174N4O47 > 2159.13 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261502 > - > - > Active (generated by computational methods) > - $$$$