Accord 08271317192D 163172 0 0 0 0 0 0 0 0999 V2000 24.5492 6.6804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1017 6.9380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6541 6.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8080 6.2328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2905 6.2328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8217 5.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8217 5.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3742 6.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3453 7.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8523 7.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9234 5.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4723 6.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0212 5.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5701 6.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1191 5.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2028 6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7518 6.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3007 6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8496 6.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3984 6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9475 6.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4963 6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0452 6.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1191 5.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0452 6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5510 5.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0567 6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5625 5.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0682 6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5740 5.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6292 5.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1392 5.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6493 5.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1594 5.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6694 5.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1795 5.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6896 5.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1996 5.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7097 5.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2198 5.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5907 8.1616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0155 8.3261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4368 8.1745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1377 8.6926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7129 8.5282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4454 8.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0861 8.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0010 8.2913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8161 8.5069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2916 8.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7574 8.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4068 8.3495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8316 8.5140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2529 8.3624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9538 8.8804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5290 8.7161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2615 8.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9022 8.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8171 8.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9470 9.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1077 8.8677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5735 9.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2190 7.9440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6438 8.1084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0651 7.9568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7659 8.4749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3411 8.3105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0736 8.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7143 7.8490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6293 8.0736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4443 8.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9199 8.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3856 8.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6333 7.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8332 7.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3728 7.7228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0351 8.1318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4599 8.2963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8812 8.1447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5820 8.6628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1572 8.4984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8897 8.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5304 8.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4454 8.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5753 8.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7360 8.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2017 8.8624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8472 7.7263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2720 7.8908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6933 7.7391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3941 8.2572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9693 8.0929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7019 8.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3425 7.6313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2575 7.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0726 8.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5481 8.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0139 8.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2616 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4614 7.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0010 7.5051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6633 7.9142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0881 8.0786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5094 7.9270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2102 8.4451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7854 8.2808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5180 8.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1586 7.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0736 8.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2035 8.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3642 8.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8300 8.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4754 7.5086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9002 7.6731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3215 7.5215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0224 8.0395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5976 7.8752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3301 8.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9708 7.4137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8857 7.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7008 7.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1764 8.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6421 8.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8898 7.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0896 7.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6292 7.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2915 7.6965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7164 7.8610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1376 7.7093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8385 8.2274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4137 8.0631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1462 8.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7869 7.6016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7019 7.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8317 8.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9925 8.2146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4582 8.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1037 7.2909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5285 7.4554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9498 7.3038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6506 7.8219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2258 7.6575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9583 7.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5990 7.1960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 7.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3291 7.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8046 7.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2703 8.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 7.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7179 6.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2575 7.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3820 7.5753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3874 7.0558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8879 6.9133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4222 6.4721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5251 7.0556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2833 6.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6615 7.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7954 6.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5970 6.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0247 7.1982 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 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 73 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 98104 1 0 0 0 0 115116 1 1 0 0 0 117116 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 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 111115 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 123129 1 0 0 0 0 140141 1 1 0 0 0 142141 1 1 0 0 0 143142 1 1 0 0 0 143144 1 0 0 0 0 144145 1 0 0 0 0 144149 1 0 0 0 0 140149 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 151152 1 0 0 0 0 151153 2 0 0 0 0 136140 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 122154 1 0 0 0 0 M END > LMSP0505CC02 > > GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C104H183N5O52 > 2334.18 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261405 > - > - > Active (generated by computational methods) > - $$$$