Accord 08271317192D 173183 0 0 0 0 0 0 0 0999 V2000 24.4115 7.1940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8273 7.5303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2430 7.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7493 6.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0738 6.6097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4618 6.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4618 5.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8776 6.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1454 8.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5016 8.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2890 6.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7001 6.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1113 6.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5224 6.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9336 6.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6538 7.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0649 7.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4761 7.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8872 7.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2982 7.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7095 7.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1205 7.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5316 7.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9336 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5316 6.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8864 6.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2412 6.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5959 6.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9506 6.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3054 6.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2940 5.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6544 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0148 5.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3752 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7356 5.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0960 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4563 5.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8167 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1771 5.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5375 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8979 5.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2583 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4657 9.1278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7148 9.3425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9593 9.1446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5688 9.8209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3197 9.6064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9705 9.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8069 9.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3904 9.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1490 9.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0752 9.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3778 10.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6147 9.3731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8637 9.5878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1082 9.3899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7177 10.0662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4686 9.8517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1194 10.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9558 9.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5393 9.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7089 10.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2242 10.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5267 10.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7584 8.8436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0075 9.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2520 8.8604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8615 9.5367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6124 9.3222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2632 9.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0996 8.7197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6831 9.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4417 9.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3680 9.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6705 9.7973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9939 8.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2548 8.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6537 8.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9074 9.0889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1565 9.3036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4010 9.1057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0104 9.7820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7613 9.5675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4122 9.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2485 8.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8321 9.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0016 10.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5169 9.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8195 10.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0512 8.5595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3003 8.7742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5448 8.5762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1542 9.2526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9051 9.0380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5559 9.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 8.4355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 8.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7344 9.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6607 9.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9632 9.5132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2866 8.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5475 8.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9465 8.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2001 8.8048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4492 9.0195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6937 8.8215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3032 9.4979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0541 9.2833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7049 9.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5413 8.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1248 8.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2944 9.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8097 9.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1122 9.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4672 9.0562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8521 8.5749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5682 7.8474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7915 7.9289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4064 8.4104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0381 8.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1802 8.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1104 7.4767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4303 8.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6905 9.1379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0561 8.7366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2852 10.5358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7481 11.1028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9971 11.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0052 12.0980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5423 11.5311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3444 11.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6550 10.7645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5850 11.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5205 12.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2934 11.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8342 11.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4801 10.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6095 10.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1873 10.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9862 11.8976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4492 12.4646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6981 12.6789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7062 13.4599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2433 12.8929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0454 13.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3560 12.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2860 13.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9226 13.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9944 12.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5352 13.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9450 12.1263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6059 11.5390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9498 11.7109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1334 11.5244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6368 12.1118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2010 11.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0999 11.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 11.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1334 11.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2929 11.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8691 10.4090 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.1135 10.2115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5639 9.6566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8835 10.0400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6391 10.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2359 10.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3652 9.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9967 9.4982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6520 10.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1887 10.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4472 10.6760 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 119118 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 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 113117 1 0 0 0 0 128129 1 1 0 0 0 130129 1 1 0 0 0 131130 1 1 0 0 0 131132 1 0 0 0 0 132133 1 0 0 0 0 132137 1 0 0 0 0 128137 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 139140 1 0 0 0 0 139141 2 0 0 0 0 91128 1 0 0 0 0 142143 1 1 0 0 0 144143 1 1 0 0 0 145144 1 1 0 0 0 145146 1 0 0 0 0 146147 1 0 0 0 0 146151 1 0 0 0 0 142151 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 147152 1 0 0 0 0 136142 1 0 0 0 0 153154 1 1 0 0 0 154155 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 154159 1 0 0 0 0 155160 1 0 0 0 0 156161 1 0 0 0 0 153162 1 0 0 0 0 148153 1 0 0 0 0 163164 1 1 0 0 0 165164 1 1 0 0 0 166165 1 1 0 0 0 166167 1 0 0 0 0 167168 1 0 0 0 0 167172 1 0 0 0 0 163172 1 0 0 0 0 164169 1 0 0 0 0 165170 1 0 0 0 0 166171 1 0 0 0 0 168173 1 0 0 0 0 66163 1 0 0 0 0 M END > LMISSP0505ED03 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C110H194N4O57 > 2483.24 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261758 > - > - > Active (generated by computational methods) > - $$$$