Accord 08271317192D 178188 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 14.8500 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 5.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4261 5.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7087 5.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9913 5.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2739 5.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5565 5.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8391 5.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1218 5.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4044 5.2157 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 10.1668 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 10.6997 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 9.7661 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 9.3113 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 9.3301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8717 10.0887 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 9.8169 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 8.9874 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 8.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8015 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 9.7555 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 9.1824 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 7.5579 9.5085 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 10.0451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1147 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 8.4699 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 5.2441 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 5.6991 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 12.9912 12.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4762 12.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0790 11.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2242 11.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7506 11.5612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4034 12.7368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8011 13.3727 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 14.2471 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 9.8976 14.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2357 12.9933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8553 12.3345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1194 12.5273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2037 12.3182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7683 12.9770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2796 12.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4094 12.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7346 12.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2037 11.8156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5043 12.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2451 11.0671 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.3976 10.8456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7812 10.2232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0180 10.6532 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8655 10.8747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4132 10.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6798 10.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1449 10.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7584 11.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4820 11.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6503 11.3666 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 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 118123 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 139144 1 0 0 0 0 144145 1 0 0 0 0 144146 2 0 0 0 0 97133 1 0 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 150149 1 1 0 0 0 150151 1 0 0 0 0 151152 1 0 0 0 0 151156 1 0 0 0 0 147156 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 152157 1 0 0 0 0 141147 1 0 0 0 0 158159 1 1 0 0 0 159160 1 1 0 0 0 161160 1 1 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 162167 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 158167 1 0 0 0 0 153158 1 0 0 0 0 168169 1 1 0 0 0 170169 1 1 0 0 0 171170 1 1 0 0 0 171172 1 0 0 0 0 172173 1 0 0 0 0 172177 1 0 0 0 0 168177 1 0 0 0 0 169174 1 0 0 0 0 170175 1 0 0 0 0 171176 1 0 0 0 0 173178 1 0 0 0 0 72168 1 0 0 0 0 M END > LMISSP0505EC08 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C116H204N4O56 > 2549.32 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261755 > - > - > Active (generated by computational methods) > - $$$$